{"season": {"number": 1, "name": "Open Discovery Challenge", "topic": "Malaria", "topic_ko": "말라리아", "organism": "Plasmodium falciparum", "target": "PfDHODH", "counter_target": "human DHODH", "closes": "2026-09-30", "prize_usd": 1000, "weights": {"activity": 30, "binding": 20, "selectivity": 20, "admet": 15, "novelty": 10, "synthesis": 5}, "open": true, "limits": {"mw_max": 550.0, "heavy_max": 45}}, "entries": [{"candidate_id": "ODC-E7A571", "res_at": 1789473892, "skeleton": "UMVQTSDSRCPLSL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-PropargylNMe2-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 84.723, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 20.0, "admet": 3.76, "novelty": 7.21, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.431, "fraction": 1.0}, "binding": {"pIC50": 8.12, "LE": 0.301, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 118.9, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.577, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 6.431325628732569, "aff_pf": -2.1215450763702393, "aff_hs": -0.046428382396698, "repeats_pf": {"runs": 3, "values": [-2.0732, -2.149, -2.1425], "mean": -2.1215, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [-0.0517, -0.0653, -0.0223], "mean": -0.0464, "spread": 0.043}, "at": 1789473892}, "tier": 1, "alerts": [], "total_sd": 0.014, "total_ci95": [84.652, 84.723], "relegate_reason": [], "submitted_at": 1789472940, "scored_at": 1789473892, "rank": 1}, {"candidate_id": "ODC-EBDFA2", "res_at": 1786949779, "skeleton": "RRJJSWSRQKVVNR", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 84.599, "axes": {"activity": 28.64, "binding": 20.0, "selectivity": 19.47, "admet": 5.24, "novelty": 7.21, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.319, "fraction": 0.955}, "binding": {"pIC50": 8.02, "LE": 0.314, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 88.6, "selectivity_term": 0.974, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.348, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.418, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.168, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 6.318546008210042, "aff_pf": -2.0206634203592935, "aff_hs": -0.07317354033390681, "repeats_pf": {"runs": 3, "values": [-2.0176, -2.0234, -2.021], "mean": -2.0207, "spread": 0.0058}, "repeats_hs": {"runs": 3, "values": [-0.1812, 0.0012, -0.0394], "mean": -0.0732, "spread": 0.1824}, "at": 1786949779}, "tier": 1, "relegate_reason": [], "submitted_at": 1786940206, "scored_at": 1786949779, "alerts": [], "total_sd": 0.431, "total_ci95": [83.53, 85.124], "rank": 2}, {"candidate_id": "ODC-1249EE", "res_at": 1787197366, "skeleton": "FGAKRVROQZZISJ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 84.315, "axes": {"activity": 27.98, "binding": 20.0, "selectivity": 20.0, "admet": 5.4, "novelty": 6.87, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.279, "fraction": 0.933}, "binding": {"pIC50": 8.07, "LE": 0.316, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 108.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.413, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.681, "herg": 0.304, "dili": 0.316}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.2787152205130345, "aff_pf": -2.0740578969319663, "aff_hs": -0.039101846516132355, "repeats_pf": {"runs": 3, "values": [-2.1182, -1.9844, -2.1196], "mean": -2.0741, "spread": 0.1352}, "repeats_hs": {"runs": 3, "values": [-0.0726, -0.1013, 0.0566], "mean": -0.0391, "spread": 0.1579}, "at": 1787197366}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192845, "scored_at": 1787197366, "alerts": [], "total_sd": 0.177, "total_ci95": [83.688, 84.315], "rank": 3}, {"candidate_id": "ODC-B17164", "res_at": 1787487099, "skeleton": "GKWYKTTVJZDQPD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 84.262, "axes": {"activity": 30.0, "binding": 19.36, "selectivity": 18.92, "admet": 5.46, "novelty": 6.99, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.483, "fraction": 1.0}, "binding": {"pIC50": 7.9, "LE": 0.301, "potency_term": 0.968, "efficiency_cap": 1.0}, "selectivity": {"fold": 90.1, "selectivity_term": 0.977, "target_engagement": 0.968}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.413, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.778, "herg": 0.05, "dili": 0.221}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 6.483442303182915, "aff_pf": -1.9033271074295044, "aff_hs": 0.051400162279605865, "repeats_pf": {"runs": 3, "values": [-1.8962, -1.9066, -1.9071], "mean": -1.9033, "spread": 0.0109}, "repeats_hs": {"runs": 3, "values": [0.0995, 0.0763, -0.0216], "mean": 0.0514, "spread": 0.121}, "at": 1787487099}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485404, "scored_at": 1787487099, "alerts": [], "total_sd": 0.292, "total_ci95": [83.788, 84.743], "rank": 4}, {"candidate_id": "ODC-99F2A7", "res_at": 1789250544, "skeleton": "XLWVVADIHOWHDY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZE-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 84.142, "axes": {"activity": 30.0, "binding": 19.39, "selectivity": 20.0, "admet": 3.59, "novelty": 7.23, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.561, "fraction": 1.0}, "binding": {"pIC50": 8.07, "LE": 0.291, "potency_term": 1.0, "efficiency_cap": 0.97}, "selectivity": {"fold": 129.9, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 0.992, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.613, "herg": 0.074, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.56135420424348, "aff_pf": -2.0689162413279214, "aff_hs": 0.04475017388661703, "repeats_pf": {"runs": 3, "values": [-2.2768, -1.8552, -2.0748], "mean": -2.0689, "spread": 0.4217}, "repeats_hs": {"runs": 3, "values": [-0.0406, 0.2535, -0.0786], "mean": 0.0448, "spread": 0.3321}, "at": 1789250544}, "tier": 1, "alerts": [], "total_sd": 0.91, "total_ci95": [80.92, 84.642], "relegate_reason": [], "submitted_at": 1789248732, "scored_at": 1789250544, "rank": 5}, {"candidate_id": "ODC-EBF053", "res_at": 1789305260, "skeleton": "WDVMQVGZVJEIOJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AllylNMe2-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 84.016, "axes": {"activity": 28.67, "binding": 19.95, "selectivity": 20.0, "admet": 4.39, "novelty": 7.19, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.956}, "binding": {"pIC50": 8.08, "LE": 0.299, "potency_term": 1.0, "efficiency_cap": 0.997}, "selectivity": {"fold": 208.7, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.625, "herg": 0.454, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.319985856114217, "aff_pf": -2.0806899070739746, "aff_hs": 0.23877271016438803, "repeats_pf": {"runs": 3, "values": [-2.0882, -2.0934, -2.0604], "mean": -2.0807, "spread": 0.033}, "repeats_hs": {"runs": 3, "values": [0.346, 0.3799, -0.0095], "mean": 0.2388, "spread": 0.3894}, "at": 1789305260}, "tier": 1, "alerts": [], "total_sd": 0.034, "total_ci95": [83.968, 84.072], "relegate_reason": [], "submitted_at": 1789299119, "scored_at": 1789305260, "rank": 6}, {"candidate_id": "ODC-68094D", "res_at": 1788270440, "skeleton": "HUTWEHTXUNMQQD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R153-F02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 83.929, "axes": {"activity": 29.67, "binding": 19.11, "selectivity": 19.52, "admet": 4.58, "novelty": 7.1, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.38, "fraction": 0.989}, "binding": {"pIC50": 7.93, "LE": 0.294, "potency_term": 0.976, "efficiency_cap": 0.979}, "selectivity": {"fold": 105.2, "selectivity_term": 1.0, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.137, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.379990740479438, "aff_pf": -1.9286120732625325, "aff_hs": 0.09334906935691833, "repeats_pf": {"runs": 3, "values": [-1.9177, -1.7856, -2.0826], "mean": -1.9286, "spread": 0.2971}, "repeats_hs": {"runs": 3, "values": [-0.0986, 0.3047, 0.0739], "mean": 0.0933, "spread": 0.4033}, "at": 1788270440}, "tier": 1, "alerts": [], "total_sd": 1.315, "total_ci95": [80.057, 85.388], "relegate_reason": [], "submitted_at": 1788269708, "scored_at": 1788270440, "rank": 7}, {"candidate_id": "ODC-69A815", "res_at": 1788084381, "skeleton": "NYYHIHHNXSZGAT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 83.868, "axes": {"activity": 29.99, "binding": 19.02, "selectivity": 18.72, "admet": 5.12, "novelty": 7.21, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.399, "fraction": 1.0}, "binding": {"pIC50": 7.86, "LE": 0.299, "potency_term": 0.954, "efficiency_cap": 0.997}, "selectivity": {"fold": 91.8, "selectivity_term": 0.981, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.418, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.399450575788314, "aff_pf": -1.861080487569173, "aff_hs": 0.10163093358278275, "repeats_pf": {"runs": 3, "values": [-1.8333, -1.8777, -1.8723], "mean": -1.8611, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [0.2162, 0.0423, 0.0464], "mean": 0.1016, "spread": 0.1738}, "at": 1788084381}, "tier": 1, "alerts": [], "total_sd": 0.421, "total_ci95": [82.948, 84.429], "relegate_reason": [], "submitted_at": 1788074715, "scored_at": 1788084381, "rank": 8}, {"candidate_id": "ODC-A05D43", "res_at": 1789296108, "skeleton": "UOWNOGOVFLQQAZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-Propargyl-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 83.805, "axes": {"activity": 30.0, "binding": 19.23, "selectivity": 20.0, "admet": 3.48, "novelty": 7.24, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.656, "fraction": 1.0}, "binding": {"pIC50": 8.0, "LE": 0.288, "potency_term": 1.0, "efficiency_cap": 0.962}, "selectivity": {"fold": 107.0, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.232, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.568, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.655535983102136, "aff_pf": -2.00184694925944, "aff_hs": 0.027353351314862568, "repeats_pf": {"runs": 3, "values": [-1.9083, -2.0121, -2.0851], "mean": -2.0018, "spread": 0.1768}, "repeats_hs": {"runs": 3, "values": [-0.0778, 0.0656, 0.0943], "mean": 0.0274, "spread": 0.1721}, "at": 1789296108}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [82.534, 84.005], "relegate_reason": [], "submitted_at": 1789295925, "scored_at": 1789296108, "rank": 9}, {"candidate_id": "ODC-5E4594", "res_at": 1789276578, "skeleton": "AZUPBRDNOBWUPH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-ArH-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 83.583, "axes": {"activity": 30.0, "binding": 19.44, "selectivity": 19.78, "admet": 3.21, "novelty": 7.06, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.632, "fraction": 1.0}, "binding": {"pIC50": 7.97, "LE": 0.295, "potency_term": 0.989, "efficiency_cap": 0.983}, "selectivity": {"fold": 140.5, "selectivity_term": 1.0, "target_engagement": 0.989}, "admet": {"geometric_mean": 0.214, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 6.632448302897444, "aff_pf": -1.9664164781570435, "aff_hs": 0.18136150389909744, "repeats_pf": {"runs": 3, "values": [-1.756, -2.0452, -2.0981], "mean": -1.9664, "spread": 0.3421}, "repeats_hs": {"runs": 3, "values": [0.3848, -0.0128, 0.1721], "mean": 0.1814, "spread": 0.3976}, "at": 1789276578}, "tier": 1, "alerts": [], "total_sd": 1.126, "total_ci95": [80.324, 84.352], "relegate_reason": [], "submitted_at": 1789276388, "scored_at": 1789276578, "rank": 10}, {"candidate_id": "ODC-DE18CA", "res_at": 1788448289, "skeleton": "IVKOQMCAAMGODK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-CX-Ring-ene1", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 83.509, "axes": {"activity": 29.63, "binding": 20.0, "selectivity": 19.02, "admet": 4.42, "novelty": 7.36, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 6.378, "fraction": 0.988}, "binding": {"pIC50": 8.19, "LE": 0.303, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.9, "selectivity_term": 0.951, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.49, "herg": 0.223, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "0", "pAct_q10": 6.377566228527636, "aff_pf": -2.1937598387400308, "aff_hs": -0.2912907650073369, "repeats_pf": {"runs": 3, "values": [-2.2594, -2.22, -2.1018], "mean": -2.1938, "spread": 0.1576}, "repeats_hs": {"runs": 3, "values": [-0.3695, -0.2874, -0.217], "mean": -0.2913, "spread": 0.1525}, "at": 1788448289}, "tier": 1, "alerts": [], "total_sd": 0.551, "total_ci95": [82.333, 84.484], "relegate_reason": [], "submitted_at": 1788393825, "scored_at": 1788448289, "rank": 11}, {"candidate_id": "ODC-FB5B49", "res_at": 1787486903, "skeleton": "VAPJTNMFKCVJJF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 83.384, "axes": {"activity": 28.66, "binding": 19.65, "selectivity": 19.65, "admet": 4.73, "novelty": 6.81, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.955}, "binding": {"pIC50": 7.95, "LE": 0.302, "potency_term": 0.982, "efficiency_cap": 1.0}, "selectivity": {"fold": 101.4, "selectivity_term": 1.0, "target_engagement": 0.982}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.35}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.319896829213368, "aff_pf": -1.9472049872080486, "aff_hs": 0.058721110224723816, "repeats_pf": {"runs": 3, "values": [-1.9713, -1.9894, -1.881], "mean": -1.9472, "spread": 0.1084}, "repeats_hs": {"runs": 3, "values": [0.0764, 0.0661, 0.0337], "mean": 0.0587, "spread": 0.0427}, "at": 1787486903}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485390, "scored_at": 1787486903, "alerts": [], "total_sd": 0.63, "total_ci95": [81.6, 84.168], "rank": 12}, {"candidate_id": "ODC-BCE118", "res_at": 1788448940, "skeleton": "SNMHENWYUZFRMN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-CX-Ring-ene2", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········=CCC1", "total": 83.072, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 17.91, "admet": 4.27, "novelty": 7.21, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.405, "fraction": 1.0}, "binding": {"pIC50": 8.25, "LE": 0.306, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.8, "selectivity_term": 0.896, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.511, "herg": 0.163, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 6.404821449180036, "aff_pf": -2.252842744191488, "aff_hs": -0.4616580506165822, "repeats_pf": {"runs": 3, "values": [-2.2378, -2.1552, -2.3656], "mean": -2.2528, "spread": 0.2104}, "repeats_hs": {"runs": 3, "values": [-0.3982, -0.4852, -0.5016], "mean": -0.4617, "spread": 0.1034}, "at": 1788448940}, "tier": 1, "alerts": [], "total_sd": 0.55, "total_ci95": [82.026, 84.118], "relegate_reason": [], "submitted_at": 1788393838, "scored_at": 1788448940, "rank": 13}, {"candidate_id": "ODC-72BBDD", "res_at": 1789973476, "skeleton": "VJBVTLKPGMLOMZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 82.944, "axes": {"activity": 30.0, "binding": 18.52, "selectivity": 18.71, "admet": 5.08, "novelty": 6.92, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.552, "fraction": 1.0}, "binding": {"pIC50": 7.81, "LE": 0.297, "potency_term": 0.935, "efficiency_cap": 0.99}, "selectivity": {"fold": 126.7, "selectivity_term": 1.0, "target_engagement": 0.935}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.375, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.121}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 6.552442663992268, "aff_pf": -1.8060812552769978, "aff_hs": 0.29674960176150006, "repeats_pf": {"runs": 3, "values": [-1.7551, -1.903, -1.7601], "mean": -1.8061, "spread": 0.1478}, "repeats_hs": {"runs": 3, "values": [0.3087, 0.2245, 0.357], "mean": 0.2967, "spread": 0.1325}, "at": 1789973476}, "tier": 1, "alerts": [], "total_sd": 0.601, "total_ci95": [82.149, 84.42], "relegate_reason": [], "submitted_at": 1789946795, "scored_at": 1789973476, "rank": 14}, {"candidate_id": "ODC-19DB5C", "res_at": 1789214099, "skeleton": "SIJVUCZWQTUERE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-D19-02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 82.688, "axes": {"activity": 30.0, "binding": 18.25, "selectivity": 18.88, "admet": 5.02, "novelty": 7.21, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.455, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.29, "potency_term": 0.944, "efficiency_cap": 0.967}, "selectivity": {"fold": 101.7, "selectivity_term": 1.0, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.421, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.86, "herg": 0.05, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 6.454859642719683, "aff_pf": -1.8325130144755046, "aff_hs": 0.1748127539952596, "repeats_pf": {"runs": 3, "values": [-1.9528, -1.7542, -1.7905], "mean": -1.8325, "spread": 0.1986}, "repeats_hs": {"runs": 3, "values": [0.1929, 0.1883, 0.1433], "mean": 0.1748, "spread": 0.0496}, "at": 1789214099}, "tier": 1, "alerts": [], "total_sd": 0.974, "total_ci95": [80.832, 84.558], "relegate_reason": [], "submitted_at": 1789213307, "scored_at": 1789214099, "rank": 15}, {"candidate_id": "ODC-AD1182", "res_at": 1786946789, "skeleton": "PZASFPLCMVENBI", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 82.585, "axes": {"activity": 30.0, "binding": 18.21, "selectivity": 18.47, "admet": 4.63, "novelty": 7.14, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 6.422, "fraction": 1.0}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.924, "efficiency_cap": 0.986}, "selectivity": {"fold": 153.8, "selectivity_term": 1.0, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.55, "hia-hou": 1.0, "bioavailability-ma": 0.909, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.661, "herg": 0.086, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 6.421767768006892, "aff_pf": -1.7709917227427165, "aff_hs": 0.4159861207008362, "repeats_pf": {"runs": 3, "values": [-1.8038, -1.7534, -1.7558], "mean": -1.771, "spread": 0.0503}, "repeats_hs": {"runs": 3, "values": [0.4519, 0.4316, 0.3645], "mean": 0.416, "spread": 0.0874}, "at": 1786946789}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935356, "scored_at": 1786946789, "alerts": [], "total_sd": 0.191, "total_ci95": [82.311, 83.097], "rank": 16}, {"candidate_id": "ODC-29694F", "res_at": 1788756922, "skeleton": "ZVXPXDJZHHNFEU", "hf_user": "1Dmeds", "display_name": "ODC26-S1D02", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 82.385, "axes": {"activity": 27.7, "binding": 20.0, "selectivity": 20.0, "admet": 4.34, "novelty": 7.27, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 6.262, "fraction": 0.923}, "binding": {"pIC50": 8.18, "LE": 0.303, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 292.0, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.521, "herg": 0.185, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "0", "pAct_q10": 6.262110589376067, "aff_pf": -2.18308432896932, "aff_hs": 0.2823030849297841, "repeats_pf": {"runs": 3, "values": [-2.2089, -2.1955, -2.1449], "mean": -2.1831, "spread": 0.0641}, "repeats_hs": {"runs": 3, "values": [0.5077, 0.1883, 0.151], "mean": 0.2823, "spread": 0.3567}, "at": 1788756922}, "tier": 1, "alerts": [], "total_sd": 0.0, "total_ci95": [82.385, 82.385], "relegate_reason": [], "submitted_at": 1788662950, "scored_at": 1788756922, "rank": 17}, {"candidate_id": "ODC-7736E9", "res_at": 1788421774, "skeleton": "VLJDUTBODAOSHJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 82.364, "axes": {"activity": 30.0, "binding": 19.4, "selectivity": 16.09, "admet": 5.77, "novelty": 7.21, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.412, "fraction": 1.0}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.97, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.6, "selectivity_term": 0.83, "target_engagement": 0.97}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.338, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.308, "dili": 0.349}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.412222976988109, "aff_pf": -1.9098798433939617, "aff_hs": -0.25057896971702576, "repeats_pf": {"runs": 3, "values": [-1.9434, -1.8788, -1.9074], "mean": -1.9099, "spread": 0.0646}, "repeats_hs": {"runs": 3, "values": [-0.4162, -0.3264, -0.0091], "mean": -0.2506, "spread": 0.4071}, "at": 1788421774}, "tier": 1, "alerts": [], "total_sd": 1.101, "total_ci95": [80.757, 84.433], "relegate_reason": [], "submitted_at": 1788360781, "scored_at": 1788421774, "rank": 18}, {"candidate_id": "ODC-D84EB9", "res_at": 1788270205, "skeleton": "JOEPVBCRAWCKPF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R153-H02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 82.292, "axes": {"activity": 30.0, "binding": 19.37, "selectivity": 17.41, "admet": 4.47, "novelty": 6.88, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.464, "fraction": 1.0}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 62.7, "selectivity_term": 0.899, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.428, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.502, "herg": 0.119, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 6.463910157923979, "aff_pf": -1.9059466520945232, "aff_hs": -0.10864551365375519, "repeats_pf": {"runs": 3, "values": [-1.8819, -1.9275, -1.9085], "mean": -1.9059, "spread": 0.0456}, "repeats_hs": {"runs": 3, "values": [-0.2866, 0.0802, -0.1195], "mean": -0.1086, "spread": 0.3668}, "at": 1788270205}, "tier": 1, "alerts": [], "total_sd": 0.836, "total_ci95": [80.775, 84.121], "relegate_reason": [], "submitted_at": 1788269726, "scored_at": 1788270205, "rank": 19}, {"candidate_id": "ODC-CD2DB1", "res_at": 1788948879, "skeleton": "LRPCIFSDFMVDRU", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 82.287, "axes": {"activity": 30.0, "binding": 18.51, "selectivity": 19.45, "admet": 3.86, "novelty": 7.3, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 6.522, "fraction": 1.0}, "binding": {"pIC50": 7.92, "LE": 0.285, "potency_term": 0.973, "efficiency_cap": 0.952}, "selectivity": {"fold": 201.9, "selectivity_term": 1.0, "target_engagement": 0.973}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 0.921, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.493, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "0", "pAct_q10": 6.521669879008266, "aff_pf": -1.9178925355275471, "aff_hs": 0.387289434671402, "repeats_pf": {"runs": 3, "values": [-1.8892, -1.89, -1.9745], "mean": -1.9179, "spread": 0.0853}, "repeats_hs": {"runs": 3, "values": [0.3781, 0.5287, 0.2551], "mean": 0.3873, "spread": 0.2736}, "at": 1788948879}, "tier": 1, "alerts": [], "total_sd": 0.35, "total_ci95": [81.851, 83.158], "relegate_reason": [], "submitted_at": 1788947606, "scored_at": 1788948879, "rank": 20}, {"candidate_id": "ODC-0B0C6B", "res_at": 1787488491, "skeleton": "PFSMPPWJPUKCEZ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 82.258, "axes": {"activity": 29.14, "binding": 19.91, "selectivity": 18.34, "admet": 4.15, "novelty": 7.03, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.348, "fraction": 0.971}, "binding": {"pIC50": 8.07, "LE": 0.299, "potency_term": 1.0, "efficiency_cap": 0.996}, "selectivity": {"fold": 68.3, "selectivity_term": 0.917, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.351, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.05, "dili": 0.252}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 6.348223881205478, "aff_pf": -2.066070636113485, "aff_hs": -0.231789102156957, "repeats_pf": {"runs": 3, "values": [-2.0184, -2.0581, -2.1217], "mean": -2.0661, "spread": 0.1033}, "repeats_hs": {"runs": 3, "values": [-0.2632, -0.1488, -0.2834], "mean": -0.2318, "spread": 0.1346}, "at": 1787488491}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485509, "scored_at": 1787488491, "alerts": [], "total_sd": 0.464, "total_ci95": [81.383, 83.199], "rank": 21}, {"candidate_id": "ODC-2AAC26", "res_at": 1788266881, "skeleton": "BMYZMQABNCNRIS", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 82.198, "axes": {"activity": 27.39, "binding": 19.88, "selectivity": 20.0, "admet": 4.07, "novelty": 7.13, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.243, "fraction": 0.913}, "binding": {"pIC50": 8.05, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.994}, "selectivity": {"fold": 277.5, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.072, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.827, "herg": 0.075, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 6.2433193588335625, "aff_pf": -2.0525173346201577, "aff_hs": 0.3907656917969386, "repeats_pf": {"runs": 3, "values": [-1.9941, -2.0445, -2.119], "mean": -2.0525, "spread": 0.1249}, "repeats_hs": {"runs": 3, "values": [0.504, 0.2139, 0.4545], "mean": 0.3908, "spread": 0.2901}, "at": 1788266881}, "tier": 1, "alerts": [], "total_sd": 0.133, "total_ci95": [81.839, 82.413], "relegate_reason": [], "submitted_at": 1788255375, "scored_at": 1788266881, "rank": 22}, {"candidate_id": "ODC-8F88D7", "res_at": 1787354782, "skeleton": "PTVXSPDSWMMSTB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 82.029, "axes": {"activity": 30.0, "binding": 19.73, "selectivity": 17.31, "admet": 3.99, "novelty": 6.95, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.456, "fraction": 1.0}, "binding": {"pIC50": 8.0, "LE": 0.296, "potency_term": 0.999, "efficiency_cap": 0.987}, "selectivity": {"fold": 53.9, "selectivity_term": 0.866, "target_engagement": 0.999}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.405, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.258}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.455554002834779, "aff_pf": -1.9979156255722046, "aff_hs": -0.2660040905078252, "repeats_pf": {"runs": 3, "values": [-1.9773, -2.0318, -1.9847], "mean": -1.9979, "spread": 0.0544}, "repeats_hs": {"runs": 3, "values": [-0.0086, -0.1538, -0.6356], "mean": -0.266, "spread": 0.627}, "at": 1787354782}, "tier": 1, "relegate_reason": [], "submitted_at": 1787352443, "scored_at": 1787354782, "alerts": [], "total_sd": 1.543, "total_ci95": [78.586, 84.568], "rank": 23}, {"candidate_id": "ODC-4595E0", "res_at": 1787027693, "skeleton": "YONVGDUWXAQWNU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 81.935, "axes": {"activity": 30.0, "binding": 17.94, "selectivity": 18.64, "admet": 4.12, "novelty": 7.33, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.422, "fraction": 1.0}, "binding": {"pIC50": 7.8, "LE": 0.289, "potency_term": 0.932, "efficiency_cap": 0.962}, "selectivity": {"fold": 159.6, "selectivity_term": 1.0, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.422233666864988, "aff_pf": -1.7961434125900269, "aff_hs": 0.4068220357100169, "repeats_pf": {"runs": 3, "values": [-1.8472, -1.8358, -1.7054], "mean": -1.7961, "spread": 0.1418}, "repeats_hs": {"runs": 3, "values": [0.3687, 0.1996, 0.6521], "mean": 0.4068, "spread": 0.4525}, "at": 1787027693}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025253, "scored_at": 1787027693, "alerts": [], "total_sd": 0.596, "total_ci95": [80.546, 82.722], "rank": 24}, {"candidate_id": "ODC-D1FDA3", "res_at": 1787101659, "skeleton": "RNNHFXVSZXGJMM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 81.842, "axes": {"activity": 28.42, "binding": 19.43, "selectivity": 18.37, "admet": 4.38, "novelty": 7.57, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.305, "fraction": 0.947}, "binding": {"pIC50": 7.96, "LE": 0.295, "potency_term": 0.988, "efficiency_cap": 0.983}, "selectivity": {"fold": 72.3, "selectivity_term": 0.929, "target_engagement": 0.988}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.076, "cyp2c9-veith": 0.388, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.75, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.221, "novelty": 0.779}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.3049806840416505, "aff_pf": -1.9645286401112874, "aff_hs": -0.10569023589293162, "repeats_pf": {"runs": 3, "values": [-2.0082, -1.9407, -1.9447], "mean": -1.9645, "spread": 0.0676}, "repeats_hs": {"runs": 3, "values": [0.0183, -0.4634, 0.1281], "mean": -0.1057, "spread": 0.5915}, "at": 1787101659}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101074, "scored_at": 1787101659, "alerts": [], "total_sd": 1.371, "total_ci95": [79.009, 83.752], "rank": 25}, {"candidate_id": "ODC-3CE619", "res_at": 1787653065, "skeleton": "VKBKXGRFGFYYNR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 81.782, "axes": {"activity": 30.0, "binding": 18.05, "selectivity": 18.73, "admet": 3.92, "novelty": 7.17, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.513, "fraction": 1.0}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.936, "efficiency_cap": 0.964}, "selectivity": {"fold": 109.1, "selectivity_term": 1.0, "target_engagement": 0.936}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.053, "dili": 0.145}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.513301513901109, "aff_pf": -1.8090125719706218, "aff_hs": 0.22892416516939798, "repeats_pf": {"runs": 3, "values": [-1.8809, -1.7947, -1.7515], "mean": -1.809, "spread": 0.1295}, "repeats_hs": {"runs": 3, "values": [0.1872, 0.278, 0.2216], "mean": 0.2289, "spread": 0.0908}, "at": 1787653065}, "tier": 1, "relegate_reason": [], "submitted_at": 1787647990, "scored_at": 1787653065, "alerts": [], "total_sd": 0.549, "total_ci95": [80.72, 82.894], "rank": 26}, {"candidate_id": "ODC-38C471", "res_at": 1789998105, "skeleton": "MVEWVQPAUCESFN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 81.782, "axes": {"activity": 29.09, "binding": 19.33, "selectivity": 18.43, "admet": 5.01, "novelty": 6.5, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.345, "fraction": 0.97}, "binding": {"pIC50": 7.9, "LE": 0.301, "potency_term": 0.967, "efficiency_cap": 1.0}, "selectivity": {"fold": 80.6, "selectivity_term": 0.953, "target_engagement": 0.967}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.429, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.615, "herg": 0.05, "dili": 0.334}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "2", "pAct_q10": 6.345182634929912, "aff_pf": -1.900194485982259, "aff_hs": 0.00614251693089803, "repeats_pf": {"runs": 3, "values": [-1.9019, -1.9143, -1.8844], "mean": -1.9002, "spread": 0.0299}, "repeats_hs": {"runs": 3, "values": [0.0274, 0.0839, -0.093], "mean": 0.0061, "spread": 0.1769}, "at": 1789998105}, "tier": 1, "alerts": [], "total_sd": 0.45, "total_ci95": [80.824, 82.534], "relegate_reason": [], "submitted_at": 1789991822, "scored_at": 1789998105, "rank": 27}, {"candidate_id": "ODC-2BE927", "res_at": 1788823474, "skeleton": "BSRUIMWUUAWJPI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0907-10", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········=CCC1", "total": 81.781, "axes": {"activity": 30.0, "binding": 18.48, "selectivity": 18.67, "admet": 4.27, "novelty": 7.3, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 6.432, "fraction": 1.0}, "binding": {"pIC50": 7.8, "LE": 0.297, "potency_term": 0.934, "efficiency_cap": 0.99}, "selectivity": {"fold": 109.1, "selectivity_term": 1.0, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.493, "herg": 0.173, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.86}}, "run": {"gpu": "0", "pAct_q10": 6.431741595286734, "aff_pf": -1.8008549610773723, "aff_hs": 0.23703803618748984, "repeats_pf": {"runs": 3, "values": [-1.8317, -1.7545, -1.8164], "mean": -1.8009, "spread": 0.0771}, "repeats_hs": {"runs": 3, "values": [0.27, 0.1746, 0.2664], "mean": 0.237, "spread": 0.0954}, "at": 1788823474}, "tier": 1, "alerts": [], "total_sd": 0.333, "total_ci95": [81.058, 82.264], "relegate_reason": [], "submitted_at": 1788818421, "scored_at": 1788823474, "rank": 28}, {"candidate_id": "ODC-437602", "res_at": 1789213438, "skeleton": "UTAGZYRPZNUJNN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-D18-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 81.713, "axes": {"activity": 30.0, "binding": 18.51, "selectivity": 16.84, "admet": 5.71, "novelty": 6.7, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.464, "fraction": 1.0}, "binding": {"pIC50": 7.78, "LE": 0.304, "potency_term": 0.925, "efficiency_cap": 1.0}, "selectivity": {"fold": 66.0, "selectivity_term": 0.91, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.178, "dili": 0.342}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.4640270435835525, "aff_pf": -1.7764328718185425, "aff_hs": 0.04339241733153661, "repeats_pf": {"runs": 3, "values": [-1.6794, -1.8648, -1.7851], "mean": -1.7764, "spread": 0.1853}, "repeats_hs": {"runs": 3, "values": [0.0139, 0.0072, 0.109], "mean": 0.0434, "spread": 0.1018}, "at": 1789213438}, "tier": 1, "alerts": [], "total_sd": 0.964, "total_ci95": [80.059, 83.682], "relegate_reason": [], "submitted_at": 1789182004, "scored_at": 1789213438, "rank": 29}, {"candidate_id": "ODC-3D119B", "res_at": 1788236163, "skeleton": "HJCYBJJOKOUDNH", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 81.671, "axes": {"activity": 30.0, "binding": 17.89, "selectivity": 18.24, "admet": 4.37, "novelty": 7.08, "synthesis": 4.1}, "detail": {"activity": {"pAct_q10": 6.603, "fraction": 1.0}, "binding": {"pIC50": 7.74, "LE": 0.294, "potency_term": 0.912, "efficiency_cap": 0.981}, "selectivity": {"fold": 121.2, "selectivity_term": 1.0, "target_engagement": 0.912}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 0.951, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.669, "herg": 0.078, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.603015089207168, "aff_pf": -1.7353754838307698, "aff_hs": 0.348186453183492, "repeats_pf": {"runs": 3, "values": [-1.6682, -1.8094, -1.7285], "mean": -1.7354, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [0.2581, 0.3594, 0.427], "mean": 0.3482, "spread": 0.1689}, "at": 1788236163}, "tier": 1, "alerts": [], "total_sd": 0.481, "total_ci95": [80.764, 82.403], "relegate_reason": [], "submitted_at": 1788196397, "scored_at": 1788236163, "rank": 30}, {"candidate_id": "ODC-DBBB40", "res_at": 1787648339, "skeleton": "NOLODRVVWISKES", "hf_user": "1Dmeds", "display_name": "ODC26-W1-YClF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 81.541, "axes": {"activity": 30.0, "binding": 19.89, "selectivity": 15.21, "admet": 5.23, "novelty": 7.14, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.475, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.312, "potency_term": 0.994, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.9, "selectivity_term": 0.765, "target_engagement": 0.994}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.237, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.171, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.475321732956643, "aff_pf": -1.9833501974741619, "aff_hs": -0.4536181886990865, "repeats_pf": {"runs": 3, "values": [-1.8805, -2.0708, -1.9988], "mean": -1.9834, "spread": 0.1903}, "repeats_hs": {"runs": 3, "values": [-0.5451, -0.268, -0.5478], "mean": -0.4536, "spread": 0.2798}, "at": 1787648339}, "tier": 1, "relegate_reason": [], "submitted_at": 1787642031, "scored_at": 1787648339, "alerts": [], "total_sd": 1.092, "total_ci95": [79.27, 83.304], "rank": 31}, {"candidate_id": "ODC-22C53C", "res_at": 1787028806, "skeleton": "PHNZEZQSWJPMFB", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 81.528, "axes": {"activity": 30.0, "binding": 17.73, "selectivity": 17.85, "admet": 4.69, "novelty": 7.27, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.563, "fraction": 1.0}, "binding": {"pIC50": 7.72, "LE": 0.294, "potency_term": 0.905, "efficiency_cap": 0.979}, "selectivity": {"fold": 93.7, "selectivity_term": 0.986, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.357, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.703, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.562753646010678, "aff_pf": -1.716429630915324, "aff_hs": 0.2552555898825328, "repeats_pf": {"runs": 3, "values": [-1.7467, -1.7738, -1.6288], "mean": -1.7164, "spread": 0.145}, "repeats_hs": {"runs": 3, "values": [0.1373, 0.3254, 0.303], "mean": 0.2553, "spread": 0.1881}, "at": 1787028806}, "tier": 1, "relegate_reason": [], "submitted_at": 1787028496, "scored_at": 1787028806, "alerts": [], "total_sd": 0.932, "total_ci95": [79.308, 82.536], "rank": 32}, {"candidate_id": "ODC-FDC230", "res_at": 1787284026, "skeleton": "KGDURSMJXNAGOA", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 81.267, "axes": {"activity": 30.0, "binding": 17.68, "selectivity": 18.08, "admet": 4.08, "novelty": 7.35, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.514, "fraction": 1.0}, "binding": {"pIC50": 7.71, "LE": 0.293, "potency_term": 0.904, "efficiency_cap": 0.978}, "selectivity": {"fold": 189.7, "selectivity_term": 1.0, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.504, "hia-hou": 1.0, "bioavailability-ma": 0.935, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.513689461691559, "aff_pf": -1.7113108237584431, "aff_hs": 0.5667275587717692, "repeats_pf": {"runs": 3, "values": [-1.6869, -1.5938, -1.8532], "mean": -1.7113, "spread": 0.2594}, "repeats_hs": {"runs": 3, "values": [0.5705, 0.5096, 0.6201], "mean": 0.5667, "spread": 0.1105}, "at": 1787284026}, "tier": 1, "relegate_reason": [], "submitted_at": 1787280987, "scored_at": 1787284026, "alerts": [], "total_sd": 0.956, "total_ci95": [79.934, 83.48], "rank": 33}, {"candidate_id": "ODC-E73FCF", "res_at": 1787485519, "skeleton": "UPPXSXULRZZNLQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 81.236, "axes": {"activity": 29.08, "binding": 19.83, "selectivity": 16.45, "admet": 4.72, "novelty": 7.18, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.345, "fraction": 0.969}, "binding": {"pIC50": 8.03, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.992}, "selectivity": {"fold": 44.1, "selectivity_term": 0.822, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.246, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.345042530653738, "aff_pf": -2.0342308282852173, "aff_hs": -0.3895726303259532, "repeats_pf": {"runs": 3, "values": [-1.8683, -2.0222, -2.2123], "mean": -2.0342, "spread": 0.344}, "repeats_hs": {"runs": 3, "values": [-0.4597, -0.2292, -0.4798], "mean": -0.3896, "spread": 0.2505}, "at": 1787485519}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485308, "scored_at": 1787485519, "alerts": [], "total_sd": 1.641, "total_ci95": [77.705, 83.52], "rank": 34}, {"candidate_id": "ODC-BDC8B3", "res_at": 1787050038, "skeleton": "GMEAZYMKGTWKCR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 81.202, "axes": {"activity": 24.99, "binding": 20.0, "selectivity": 20.0, "admet": 5.23, "novelty": 6.94, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.099, "fraction": 0.833}, "binding": {"pIC50": 8.16, "LE": 0.319, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 115.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.116, "dili": 0.262}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 6.099378286081098, "aff_pf": -2.160365263621012, "aff_hs": -0.09672361612319946, "repeats_pf": {"runs": 3, "values": [-2.1775, -2.1713, -2.1323], "mean": -2.1604, "spread": 0.0451}, "repeats_hs": {"runs": 3, "values": [-0.0256, -0.0256, -0.239], "mean": -0.0967, "spread": 0.2134}, "at": 1787050038}, "tier": 1, "relegate_reason": [], "submitted_at": 1787046362, "scored_at": 1787050038, "alerts": [], "total_sd": 0.128, "total_ci95": [80.977, 81.202], "rank": 35}, {"candidate_id": "ODC-8E92EA", "res_at": 1787122634, "skeleton": "BCWGHGZVKYTSCK", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 81.09, "axes": {"activity": 30.0, "binding": 18.76, "selectivity": 17.44, "admet": 3.89, "novelty": 6.9, "synthesis": 4.1}, "detail": {"activity": {"pAct_q10": 6.428, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.298, "potency_term": 0.944, "efficiency_cap": 0.994}, "selectivity": {"fold": 70.4, "selectivity_term": 0.924, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.437, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.052, "dili": 0.239}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.4277571384518986, "aff_pf": -1.8321030537287395, "aff_hs": 0.015224107851584753, "repeats_pf": {"runs": 3, "values": [-1.8924, -1.816, -1.7879], "mean": -1.8321, "spread": 0.1045}, "repeats_hs": {"runs": 3, "values": [0.1311, -0.0511, -0.0343], "mean": 0.0152, "spread": 0.1822}, "at": 1787122634}, "tier": 1, "relegate_reason": [], "submitted_at": 1787104524, "scored_at": 1787122634, "alerts": [], "total_sd": 0.775, "total_ci95": [79.724, 82.533], "rank": 36}, {"candidate_id": "ODC-0C1128", "res_at": 1787416193, "skeleton": "RSYFXMLJLPSNJM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 81.076, "axes": {"activity": 30.0, "binding": 18.46, "selectivity": 16.82, "admet": 4.82, "novelty": 7.03, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.505, "fraction": 1.0}, "binding": {"pIC50": 7.8, "LE": 0.297, "potency_term": 0.933, "efficiency_cap": 0.989}, "selectivity": {"fold": 63.5, "selectivity_term": 0.901, "target_engagement": 0.933}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.484, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.281, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.504982485589252, "aff_pf": -1.7985802094141643, "aff_hs": 0.004335120320320129, "repeats_pf": {"runs": 3, "values": [-1.7822, -1.8479, -1.7657], "mean": -1.7986, "spread": 0.0822}, "repeats_hs": {"runs": 3, "values": [0.2474, -0.3223, 0.0879], "mean": 0.0043, "spread": 0.5697}, "at": 1787416193}, "tier": 1, "relegate_reason": [], "submitted_at": 1787410899, "scored_at": 1787416193, "alerts": [], "total_sd": 1.419, "total_ci95": [78.029, 83.343], "rank": 37}, {"candidate_id": "ODC-543556", "res_at": 1788823177, "skeleton": "ZTNJXUGXXLJJEY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0907-09", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 81.07, "axes": {"activity": 27.03, "binding": 20.0, "selectivity": 19.32, "admet": 4.45, "novelty": 7.36, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 6.222, "fraction": 0.901}, "binding": {"pIC50": 8.1, "LE": 0.3, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 85.5, "selectivity_term": 0.966, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.117, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.552, "herg": 0.189, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "0", "pAct_q10": 6.221682357124059, "aff_pf": -2.101081132888794, "aff_hs": -0.16898396611213684, "repeats_pf": {"runs": 3, "values": [-2.122, -2.1165, -2.0648], "mean": -2.1011, "spread": 0.0572}, "repeats_hs": {"runs": 3, "values": [-0.5178, -0.125, 0.1358], "mean": -0.169, "spread": 0.6536}, "at": 1788823177}, "tier": 1, "alerts": [], "total_sd": 1.292, "total_ci95": [77.556, 81.754], "relegate_reason": [], "submitted_at": 1788818412, "scored_at": 1788823177, "rank": 38}, {"candidate_id": "ODC-98AAD7", "res_at": 1788479850, "skeleton": "AJDFBCVZYCPLPB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-02", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 80.833, "axes": {"activity": 30.0, "binding": 19.75, "selectivity": 16.24, "admet": 3.65, "novelty": 7.14, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.449, "fraction": 1.0}, "binding": {"pIC50": 7.96, "LE": 0.303, "potency_term": 0.988, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.1, "selectivity_term": 0.822, "target_engagement": 0.988}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.085, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.449074299564664, "aff_pf": -1.9625109831492107, "aff_hs": -0.3184242645899455, "repeats_pf": {"runs": 3, "values": [-2.0052, -1.9161, -1.9662], "mean": -1.9625, "spread": 0.0892}, "repeats_hs": {"runs": 3, "values": [-0.3304, -0.3164, -0.3085], "mean": -0.3184, "spread": 0.0219}, "at": 1788479850}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [80.11, 81.562], "relegate_reason": [], "submitted_at": 1788419598, "scored_at": 1788479850, "rank": 39}, {"candidate_id": "ODC-9ADEA1", "res_at": 1788760358, "skeleton": "SSYJFODXODVSMR", "hf_user": "1Dmeds", "display_name": "ODC26-S1D06", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········=CCC1", "total": 80.803, "axes": {"activity": 30.0, "binding": 17.54, "selectivity": 18.34, "admet": 3.88, "novelty": 7.4, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.623, "fraction": 1.0}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.917, "efficiency_cap": 0.957}, "selectivity": {"fold": 1229.0, "selectivity_term": 1.0, "target_engagement": 0.917}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.499, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.482, "herg": 0.165, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 6.622611567998371, "aff_pf": -1.7503105799357097, "aff_hs": 1.3392369349797566, "repeats_pf": {"runs": 3, "values": [-1.8806, -1.7378, -1.6326], "mean": -1.7503, "spread": 0.248}, "repeats_hs": {"runs": 3, "values": [1.4861, 1.0013, 1.5303], "mean": 1.3392, "spread": 0.529}, "at": 1788760358}, "tier": 1, "alerts": [], "total_sd": 0.959, "total_ci95": [79.012, 82.811], "relegate_reason": [], "submitted_at": 1788662980, "scored_at": 1788760358, "rank": 40}, {"candidate_id": "ODC-0D7F42", "res_at": 1787612437, "skeleton": "JOMGXUGNCRAVMG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········C)CC1", "total": 80.773, "axes": {"activity": 30.0, "binding": 18.9, "selectivity": 16.71, "admet": 3.93, "novelty": 7.39, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.607, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.299, "potency_term": 0.949, "efficiency_cap": 0.995}, "selectivity": {"fold": 57.5, "selectivity_term": 0.88, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 0.589, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.197}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.6066914419893985, "aff_pf": -1.8476051489512126, "aff_hs": -0.08758668104807536, "repeats_pf": {"runs": 3, "values": [-1.7071, -2.0859, -1.7498], "mean": -1.8476, "spread": 0.3789}, "repeats_hs": {"runs": 3, "values": [-0.089, -0.0049, -0.1689], "mean": -0.0876, "spread": 0.164}, "at": 1787612437}, "tier": 1, "relegate_reason": [], "submitted_at": 1787611914, "scored_at": 1787612437, "alerts": [], "total_sd": 2.277, "total_ci95": [77.35, 85.151], "rank": 41}, {"candidate_id": "ODC-E4EBA1", "res_at": 1787165370, "skeleton": "KEAWVWHIWIVLGP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 80.756, "axes": {"activity": 28.36, "binding": 19.08, "selectivity": 17.58, "admet": 4.84, "novelty": 7.03, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.302, "fraction": 0.945}, "binding": {"pIC50": 7.86, "LE": 0.308, "potency_term": 0.954, "efficiency_cap": 1.0}, "selectivity": {"fold": 69.6, "selectivity_term": 0.921, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.35, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.134, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.301695716367518, "aff_pf": -1.862037976582845, "aff_hs": -0.019644945859909058, "repeats_pf": {"runs": 3, "values": [-1.8307, -1.8475, -1.908], "mean": -1.862, "spread": 0.0773}, "repeats_hs": {"runs": 3, "values": [0.0907, -0.0687, -0.0809], "mean": -0.0196, "spread": 0.1716}, "at": 1787165370}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156266, "scored_at": 1787165370, "alerts": [], "total_sd": 0.732, "total_ci95": [79.539, 82.043], "rank": 42}, {"candidate_id": "ODC-8D99EE", "res_at": 1787652866, "skeleton": "FNCOQICJGOMVCG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1CN(c··········n2)C1", "total": 80.631, "axes": {"activity": 30.0, "binding": 17.18, "selectivity": 17.2, "admet": 5.13, "novelty": 7.33, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.511, "fraction": 1.0}, "binding": {"pIC50": 7.71, "LE": 0.285, "potency_term": 0.903, "efficiency_cap": 0.951}, "selectivity": {"fold": 80.3, "selectivity_term": 0.952, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 0.97, "pgp-broccatelli": 0.137, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.808, "herg": 0.05, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.511446255723319, "aff_pf": -1.7087620099385579, "aff_hs": 0.19599509487549463, "repeats_pf": {"runs": 3, "values": [-1.6548, -1.7807, -1.6908], "mean": -1.7088, "spread": 0.1258}, "repeats_hs": {"runs": 3, "values": [0.1369, 0.1173, 0.3338], "mean": 0.196, "spread": 0.2164}, "at": 1787652866}, "tier": 1, "relegate_reason": [], "submitted_at": 1787647985, "scored_at": 1787652866, "alerts": [], "total_sd": 0.845, "total_ci95": [78.934, 82.591], "rank": 43}, {"candidate_id": "ODC-816F5B", "res_at": 1787053629, "skeleton": "QLWWYTMUSICMLK", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 80.597, "axes": {"activity": 27.36, "binding": 20.0, "selectivity": 18.67, "admet": 3.4, "novelty": 7.21, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.241, "fraction": 0.912}, "binding": {"pIC50": 8.09, "LE": 0.308, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 73.6, "selectivity_term": 0.933, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.541, "hia-hou": 1.0, "bioavailability-ma": 0.965, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.241304503402139, "aff_pf": -2.091707626978556, "aff_hs": -0.22492107252279916, "repeats_pf": {"runs": 3, "values": [-2.0789, -2.1059, -2.0904], "mean": -2.0917, "spread": 0.027}, "repeats_hs": {"runs": 3, "values": [-0.4249, -0.2402, -0.0097], "mean": -0.2249, "spread": 0.4152}, "at": 1787053629}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052194, "scored_at": 1787053629, "alerts": [], "total_sd": 0.925, "total_ci95": [78.74, 81.93], "rank": 44}, {"candidate_id": "ODC-1C35A8", "res_at": 1787057320, "skeleton": "GZBSOZVUMYXSKC", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 80.56, "axes": {"activity": 30.0, "binding": 17.06, "selectivity": 17.6, "admet": 4.36, "novelty": 7.55, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.594, "fraction": 1.0}, "binding": {"pIC50": 7.64, "LE": 0.291, "potency_term": 0.88, "efficiency_cap": 0.969}, "selectivity": {"fold": 117.2, "selectivity_term": 1.0, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.256, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 6.594119676305437, "aff_pf": -1.6399909655253093, "aff_hs": 0.4290965000788371, "repeats_pf": {"runs": 3, "values": [-1.6039, -1.6417, -1.6744], "mean": -1.64, "spread": 0.0705}, "repeats_hs": {"runs": 3, "values": [0.4387, 0.3768, 0.4718], "mean": 0.4291, "spread": 0.095}, "at": 1787057320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787056006, "scored_at": 1787057320, "alerts": [], "total_sd": 0.241, "total_ci95": [80.141, 81.089], "rank": 45}, {"candidate_id": "ODC-1EC1F9", "res_at": 1787034651, "skeleton": "NBGKIFYVLMAYMY", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리ick", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 80.534, "axes": {"activity": 28.35, "binding": 19.73, "selectivity": 18.17, "admet": 3.85, "novelty": 6.24, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 6.301, "fraction": 0.945}, "binding": {"pIC50": 7.96, "LE": 0.312, "potency_term": 0.987, "efficiency_cap": 1.0}, "selectivity": {"fold": 69.4, "selectivity_term": 0.921, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.361, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 6.300838696612994, "aff_pf": -1.9598469336827595, "aff_hs": -0.11862657219171524, "repeats_pf": {"runs": 3, "values": [-1.9989, -1.9147, -1.966], "mean": -1.9598, "spread": 0.0842}, "repeats_hs": {"runs": 3, "values": [-0.1123, -0.0897, -0.1538], "mean": -0.1186, "spread": 0.0641}, "at": 1787034651}, "tier": 1, "relegate_reason": [], "submitted_at": 1787031996, "scored_at": 1787034651, "alerts": [], "total_sd": 0.587, "total_ci95": [79.299, 81.688], "rank": 46}, {"candidate_id": "ODC-28649F", "res_at": 1787283634, "skeleton": "CRKCSNBNUMHHSC", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 80.483, "axes": {"activity": 30.0, "binding": 17.36, "selectivity": 17.83, "admet": 4.41, "novelty": 6.63, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 6.653, "fraction": 1.0}, "binding": {"pIC50": 7.67, "LE": 0.292, "potency_term": 0.891, "efficiency_cap": 0.974}, "selectivity": {"fold": 118.6, "selectivity_term": 1.0, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.429, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.05, "dili": 0.192}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 6.652818962944704, "aff_pf": -1.6743613084157307, "aff_hs": 0.3996588687102, "repeats_pf": {"runs": 3, "values": [-1.7103, -1.6255, -1.6873], "mean": -1.6744, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [0.3594, 0.4233, 0.4162], "mean": 0.3997, "spread": 0.0639}, "at": 1787283634}, "tier": 1, "relegate_reason": [], "submitted_at": 1787280974, "scored_at": 1787283634, "alerts": [], "total_sd": 0.336, "total_ci95": [79.732, 81.038], "rank": 47}, {"candidate_id": "ODC-1740DB", "res_at": 1787490418, "skeleton": "CZUUPVMQYXTLDQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 80.278, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 15.24, "admet": 3.98, "novelty": 7.0, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.461, "fraction": 1.0}, "binding": {"pIC50": 8.15, "LE": 0.302, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.5, "selectivity_term": 0.762, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.461079628069257, "aff_pf": -2.146811564763387, "aff_hs": -0.622383197148641, "repeats_pf": {"runs": 3, "values": [-2.2202, -2.0831, -2.1371], "mean": -2.1468, "spread": 0.1372}, "repeats_hs": {"runs": 3, "values": [-0.7919, -0.6774, -0.3979], "mean": -0.6224, "spread": 0.394}, "at": 1787490418}, "tier": 1, "relegate_reason": [], "submitted_at": 1787489358, "scored_at": 1787490418, "alerts": [], "total_sd": 1.032, "total_ci95": [78.505, 82.343], "rank": 48}, {"candidate_id": "ODC-950A02", "res_at": 1787551028, "skeleton": "QHYMKFFTCFFOOP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 80.264, "axes": {"activity": 30.0, "binding": 19.6, "selectivity": 16.13, "admet": 3.25, "novelty": 7.22, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 6.421, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.296, "potency_term": 0.995, "efficiency_cap": 0.985}, "selectivity": {"fold": 41.8, "selectivity_term": 0.811, "target_engagement": 0.995}, "admet": {"geometric_mean": 0.217, "per_endpoint": {"solubility-aqsoldb": 0.052, "caco2-wang": 0.462, "hia-hou": 1.0, "bioavailability-ma": 0.667, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.075, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.420610042622333, "aff_pf": -1.9840198357899983, "aff_hs": -0.3628447751204173, "repeats_pf": {"runs": 3, "values": [-1.9369, -1.9295, -2.0857], "mean": -1.984, "spread": 0.1563}, "repeats_hs": {"runs": 3, "values": [-0.3882, -0.2621, -0.4383], "mean": -0.3628, "spread": 0.1761}, "at": 1787551028}, "tier": 1, "relegate_reason": [], "submitted_at": 1787527302, "scored_at": 1787551028, "alerts": [], "total_sd": 0.934, "total_ci95": [78.432, 81.692], "rank": 49}, {"candidate_id": "ODC-404F3D", "res_at": 1787252417, "skeleton": "LNQPHUSJHPDPHM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 80.18, "axes": {"activity": 29.85, "binding": 18.06, "selectivity": 16.08, "admet": 4.87, "novelty": 7.46, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.391, "fraction": 0.995}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.937, "efficiency_cap": 0.964}, "selectivity": {"fold": 52.0, "selectivity_term": 0.858, "target_engagement": 0.937}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.153, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.833, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.3911695635579715, "aff_pf": -1.8107020457585652, "aff_hs": -0.09478726983070374, "repeats_pf": {"runs": 3, "values": [-1.895, -1.851, -1.6861], "mean": -1.8107, "spread": 0.2089}, "repeats_hs": {"runs": 3, "values": [-0.1015, -0.0562, -0.1267], "mean": -0.0948, "spread": 0.0705}, "at": 1787252417}, "tier": 1, "relegate_reason": [], "submitted_at": 1787244724, "scored_at": 1787252417, "alerts": [], "total_sd": 1.232, "total_ci95": [77.486, 82.3], "rank": 50}, {"candidate_id": "ODC-E771B4", "res_at": 1787416584, "skeleton": "UMKDCJBINGASDB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········C)CC1", "total": 80.166, "axes": {"activity": 30.0, "binding": 18.23, "selectivity": 16.23, "admet": 4.55, "novelty": 7.28, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.416, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.29, "potency_term": 0.943, "efficiency_cap": 0.966}, "selectivity": {"fold": 52.5, "selectivity_term": 0.86, "target_engagement": 0.943}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.635, "herg": 0.065, "dili": 0.297}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.415658450064805, "aff_pf": -1.8300395011901855, "aff_hs": -0.10947879155476888, "repeats_pf": {"runs": 3, "values": [-1.9269, -1.7487, -1.8145], "mean": -1.83, "spread": 0.1782}, "repeats_hs": {"runs": 3, "values": [-0.135, -0.1297, -0.0638], "mean": -0.1095, "spread": 0.0712}, "at": 1787416584}, "tier": 1, "relegate_reason": [], "submitted_at": 1787411784, "scored_at": 1787416584, "alerts": [], "total_sd": 1.073, "total_ci95": [78.246, 82.042], "rank": 51}, {"candidate_id": "ODC-8516A0", "res_at": 1789214296, "skeleton": "GGIZNCRKIYKETP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-D19-04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 80.128, "axes": {"activity": 30.0, "binding": 17.87, "selectivity": 16.52, "admet": 5.03, "novelty": 6.96, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.437, "fraction": 1.0}, "binding": {"pIC50": 7.73, "LE": 0.294, "potency_term": 0.911, "efficiency_cap": 0.981}, "selectivity": {"fold": 65.1, "selectivity_term": 0.907, "target_engagement": 0.911}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.352, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.383}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 6.43708906246493, "aff_pf": -1.7329060236612956, "aff_hs": 0.08057892322540283, "repeats_pf": {"runs": 3, "values": [-1.7348, -1.7702, -1.6937], "mean": -1.7329, "spread": 0.0766}, "repeats_hs": {"runs": 3, "values": [-0.0177, -0.0286, 0.2879], "mean": 0.0806, "spread": 0.3165}, "at": 1789214296}, "tier": 1, "alerts": [], "total_sd": 0.832, "total_ci95": [78.598, 81.827], "relegate_reason": [], "submitted_at": 1789213312, "scored_at": 1789214296, "rank": 52}, {"candidate_id": "ODC-D89DF7", "res_at": 1787431088, "skeleton": "VSAVZPMQEQYGEB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 80.125, "axes": {"activity": 30.0, "binding": 18.43, "selectivity": 16.8, "admet": 3.88, "novelty": 6.85, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.526, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.951, "efficiency_cap": 0.969}, "selectivity": {"fold": 58.4, "selectivity_term": 0.883, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.312, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.668, "herg": 0.112, "dili": 0.167}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.5258579899651785, "aff_pf": -1.8527336517969768, "aff_hs": -0.0860129917661349, "repeats_pf": {"runs": 3, "values": [-1.8128, -2.0054, -1.7399], "mean": -1.8527, "spread": 0.2655}, "repeats_hs": {"runs": 3, "values": [-0.0767, -0.0599, -0.1215], "mean": -0.086, "spread": 0.0616}, "at": 1787431088}, "tier": 1, "relegate_reason": [], "submitted_at": 1787430526, "scored_at": 1787431088, "alerts": [], "total_sd": 1.399, "total_ci95": [77.877, 82.445], "rank": 53}, {"candidate_id": "ODC-C0B74E", "res_at": 1787722215, "skeleton": "NOMSFHRWEGEZQB", "hf_user": "1Dmeds", "display_name": "ODC26-M30-B1", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 80.091, "axes": {"activity": 28.58, "binding": 20.0, "selectivity": 16.55, "admet": 4.45, "novelty": 6.18, "synthesis": 4.32}, "detail": {"activity": {"pAct_q10": 6.315, "fraction": 0.953}, "binding": {"pIC50": 8.05, "LE": 0.334, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.2, "selectivity_term": 0.828, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.623, "herg": 0.238, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 6.315048629498227, "aff_pf": -2.045995036760966, "aff_hs": -0.39078552027543384, "repeats_pf": {"runs": 3, "values": [-1.9625, -2.2208, -1.9547], "mean": -2.046, "spread": 0.2661}, "repeats_hs": {"runs": 3, "values": [-0.5554, -0.1492, -0.4677], "mean": -0.3908, "spread": 0.4062}, "at": 1787722215}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719739, "scored_at": 1787722215, "alerts": [], "total_sd": 1.374, "total_ci95": [77.149, 82.507], "rank": 54}, {"candidate_id": "ODC-400B79", "res_at": 1787201343, "skeleton": "AXANNVKKXAWITN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 80.089, "axes": {"activity": 29.84, "binding": 18.94, "selectivity": 14.64, "admet": 5.46, "novelty": 7.15, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.39, "fraction": 0.995}, "binding": {"pIC50": 7.85, "LE": 0.299, "potency_term": 0.951, "efficiency_cap": 0.996}, "selectivity": {"fold": 34.7, "selectivity_term": 0.77, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.45, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.645, "herg": 0.365, "dili": 0.18}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.390399835022574, "aff_pf": -1.8523682355880737, "aff_hs": -0.312161644299825, "repeats_pf": {"runs": 3, "values": [-1.8597, -1.8552, -1.8421], "mean": -1.8524, "spread": 0.0176}, "repeats_hs": {"runs": 3, "values": [-0.5237, -0.2689, -0.1439], "mean": -0.3122, "spread": 0.3798}, "at": 1787201343}, "tier": 1, "relegate_reason": [], "submitted_at": 1787196376, "scored_at": 1787201343, "alerts": [], "total_sd": 0.893, "total_ci95": [78.212, 81.724], "rank": 55}, {"candidate_id": "ODC-5A8568", "res_at": 1788312534, "skeleton": "DWTGQMIWBZQUKG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-D-diag-C2-sp8-F", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 80.08, "axes": {"activity": 27.61, "binding": 18.84, "selectivity": 19.33, "admet": 3.86, "novelty": 6.7, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.257, "fraction": 0.92}, "binding": {"pIC50": 7.9, "LE": 0.292, "potency_term": 0.966, "efficiency_cap": 0.975}, "selectivity": {"fold": 225.2, "selectivity_term": 1.0, "target_engagement": 0.966}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.256700397508794, "aff_pf": -1.8989920218785603, "aff_hs": 0.45364784200986225, "repeats_pf": {"runs": 3, "values": [-1.9422, -1.8923, -1.8625], "mean": -1.899, "spread": 0.0796}, "repeats_hs": {"runs": 3, "values": [0.3175, 0.501, 0.5424], "mean": 0.4536, "spread": 0.2249}, "at": 1788312534}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [79.268, 81.046], "relegate_reason": [], "submitted_at": 1788302140, "scored_at": 1788312534, "rank": 56}, {"candidate_id": "ODC-4037E2", "res_at": 1788196584, "skeleton": "MOGSJTHVKMHCBJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 79.97, "axes": {"activity": 29.14, "binding": 17.65, "selectivity": 18.06, "admet": 4.99, "novelty": 6.67, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.348, "fraction": 0.971}, "binding": {"pIC50": 7.71, "LE": 0.293, "potency_term": 0.903, "efficiency_cap": 0.978}, "selectivity": {"fold": 106.6, "selectivity_term": 1.0, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.481, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.101, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.827, "herg": 0.05, "dili": 0.084}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 6.348381552654251, "aff_pf": -1.7082793315251668, "aff_hs": 0.31965068976084393, "repeats_pf": {"runs": 3, "values": [-1.7441, -1.6042, -1.7765], "mean": -1.7083, "spread": 0.1722}, "repeats_hs": {"runs": 3, "values": [0.1698, 0.3259, 0.4633], "mean": 0.3197, "spread": 0.2935}, "at": 1788196584}, "tier": 1, "alerts": [], "total_sd": 0.88, "total_ci95": [77.707, 81.03], "relegate_reason": [], "submitted_at": 1788196377, "scored_at": 1788196584, "rank": 57}, {"candidate_id": "ODC-BF38C4", "res_at": 1787549590, "skeleton": "XCNACCULKBEFQG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 79.912, "axes": {"activity": 29.41, "binding": 20.0, "selectivity": 14.17, "admet": 5.22, "novelty": 7.14, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.364, "fraction": 0.98}, "binding": {"pIC50": 8.07, "LE": 0.307, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.1, "selectivity_term": 0.709, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.387, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.204, "dili": 0.355}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.364419150161457, "aff_pf": -2.0677236715952554, "aff_hs": -0.6507167816162109, "repeats_pf": {"runs": 3, "values": [-2.1071, -2.0734, -2.0227], "mean": -2.0677, "spread": 0.0845}, "repeats_hs": {"runs": 3, "values": [-0.6133, -0.6422, -0.6966], "mean": -0.6507, "spread": 0.0833}, "at": 1787549590}, "tier": 1, "relegate_reason": [], "submitted_at": 1787527246, "scored_at": 1787549590, "alerts": [], "total_sd": 0.266, "total_ci95": [79.45, 80.487], "rank": 58}, {"candidate_id": "ODC-F76D8C", "res_at": 1787017472, "skeleton": "PRTBQEWRQGOYFX", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 79.858, "axes": {"activity": 28.4, "binding": 18.45, "selectivity": 18.45, "admet": 3.89, "novelty": 6.81, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.304, "fraction": 0.947}, "binding": {"pIC50": 7.77, "LE": 0.304, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 123.0, "selectivity_term": 1.0, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 0.739, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.204, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 6.303712797387921, "aff_pf": -1.7670629024505615, "aff_hs": 0.32268885771433514, "repeats_pf": {"runs": 3, "values": [-1.7421, -1.7899, -1.7692], "mean": -1.7671, "spread": 0.0478}, "repeats_hs": {"runs": 3, "values": [0.3699, 0.3081, 0.2901], "mean": 0.3227, "spread": 0.0798}, "at": 1787017472}, "tier": 1, "relegate_reason": [], "submitted_at": 1787017266, "scored_at": 1787017472, "alerts": [], "total_sd": 0.15, "total_ci95": [79.525, 80.162], "rank": 59}, {"candidate_id": "ODC-07CF88", "res_at": 1787487498, "skeleton": "IKZRAEWREVKBLD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 79.854, "axes": {"activity": 26.19, "binding": 19.48, "selectivity": 18.3, "admet": 4.6, "novelty": 7.5, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.171, "fraction": 0.873}, "binding": {"pIC50": 7.92, "LE": 0.302, "potency_term": 0.974, "efficiency_cap": 1.0}, "selectivity": {"fold": 75.6, "selectivity_term": 0.939, "target_engagement": 0.974}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.23, "novelty": 0.77}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.1713257608269485, "aff_pf": -1.922709584236145, "aff_hs": -0.04394761721293131, "repeats_pf": {"runs": 3, "values": [-1.909, -1.9526, -1.9065], "mean": -1.9227, "spread": 0.0461}, "repeats_hs": {"runs": 3, "values": [-0.0595, -0.1502, 0.0778], "mean": -0.0439, "spread": 0.2279}, "at": 1787487498}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485430, "scored_at": 1787487498, "alerts": [], "total_sd": 0.654, "total_ci95": [78.439, 81.051], "rank": 60}, {"candidate_id": "ODC-A3E28E", "res_at": 1788545324, "skeleton": "BEUPKKWRMVKQEY", "hf_user": "1Dmeds", "display_name": "ODC26-S1D04", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 79.821, "axes": {"activity": 30.0, "binding": 17.94, "selectivity": 16.75, "admet": 4.01, "novelty": 7.3, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.46, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.283, "potency_term": 0.951, "efficiency_cap": 0.944}, "selectivity": {"fold": 57.7, "selectivity_term": 0.881, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.439, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.460362152081209, "aff_pf": -1.8523344198862712, "aff_hs": -0.09095534682273865, "repeats_pf": {"runs": 3, "values": [-1.8497, -1.8998, -1.8075], "mean": -1.8523, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [-0.292, 0.1298, -0.1107], "mean": -0.091, "spread": 0.4219}, "at": 1788545324}, "tier": 1, "alerts": [], "total_sd": 1.112, "total_ci95": [77.909, 82.268], "relegate_reason": [], "submitted_at": 1788517753, "scored_at": 1788545324, "rank": 61}, {"candidate_id": "ODC-7355B1", "res_at": 1787486106, "skeleton": "GWIBQQJCYCJGAE", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 79.811, "axes": {"activity": 30.0, "binding": 17.05, "selectivity": 17.96, "admet": 3.36, "novelty": 7.5, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.627, "fraction": 1.0}, "binding": {"pIC50": 7.69, "LE": 0.285, "potency_term": 0.898, "efficiency_cap": 0.95}, "selectivity": {"fold": 131.5, "selectivity_term": 1.0, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.224, "per_endpoint": {"solubility-aqsoldb": 0.064, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.6, "herg": 0.059, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.626602357008897, "aff_pf": -1.693503777186076, "aff_hs": 0.42557472983996075, "repeats_pf": {"runs": 3, "values": [-1.802, -1.7712, -1.5073], "mean": -1.6935, "spread": 0.2947}, "repeats_hs": {"runs": 3, "values": [0.4771, 0.3806, 0.4191], "mean": 0.4256, "spread": 0.0965}, "at": 1787486106}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485343, "scored_at": 1787486106, "alerts": [], "total_sd": 1.273, "total_ci95": [76.608, 81.472], "rank": 62}, {"candidate_id": "ODC-DAA3F8", "res_at": 1787205103, "skeleton": "DUMQEDFFWNBAEU", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 79.756, "axes": {"activity": 30.0, "binding": 18.03, "selectivity": 15.04, "admet": 5.15, "novelty": 7.45, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.445, "fraction": 1.0}, "binding": {"pIC50": 7.7, "LE": 0.302, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.6, "selectivity_term": 0.834, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.708, "herg": 0.163, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.4447587536800945, "aff_pf": -1.7049025297164917, "aff_hs": -0.03667994091908137, "repeats_pf": {"runs": 3, "values": [-1.7013, -1.74, -1.6734], "mean": -1.7049, "spread": 0.0666}, "repeats_hs": {"runs": 3, "values": [-0.1181, 0.0867, -0.0786], "mean": -0.0367, "spread": 0.2047}, "at": 1787205103}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201815, "scored_at": 1787205103, "alerts": [], "total_sd": 0.598, "total_ci95": [78.676, 80.868], "rank": 63}, {"candidate_id": "ODC-2999F0", "res_at": 1787187696, "skeleton": "PYEPYIBXCRCQAU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 79.641, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 13.82, "admet": 4.7, "novelty": 6.95, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.459, "fraction": 1.0}, "binding": {"pIC50": 8.06, "LE": 0.307, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.1, "selectivity_term": 0.691, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.585, "herg": 0.333, "dili": 0.245}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.458834500489436, "aff_pf": -2.0616254011789956, "aff_hs": -0.6798527240753174, "repeats_pf": {"runs": 3, "values": [-2.1085, -2.1278, -1.9486], "mean": -2.0616, "spread": 0.1792}, "repeats_hs": {"runs": 3, "values": [-0.7029, -0.5448, -0.7919], "mean": -0.6799, "spread": 0.247}, "at": 1787187696}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184136, "scored_at": 1787187696, "alerts": [], "total_sd": 0.784, "total_ci95": [78.22, 81.062], "rank": 64}, {"candidate_id": "ODC-836DCB", "res_at": 1786950931, "skeleton": "JZZRKZQYOVUSFZ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 79.619, "axes": {"activity": 25.23, "binding": 20.0, "selectivity": 20.0, "admet": 3.51, "novelty": 7.02, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.114, "fraction": 0.841}, "binding": {"pIC50": 8.18, "LE": 0.33, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 119.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.051, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.654, "herg": 0.154, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.114058354139918, "aff_pf": -2.1784888903299966, "aff_hs": -0.1000039204955101, "repeats_pf": {"runs": 3, "values": [-2.1899, -2.1611, -2.1845], "mean": -2.1785, "spread": 0.0287}, "repeats_hs": {"runs": 3, "values": [-0.0787, -0.0842, -0.1371], "mean": -0.1, "spread": 0.0583}, "at": 1786950931}, "tier": 1, "relegate_reason": [], "submitted_at": 1786940187, "scored_at": 1786950931, "alerts": [], "total_sd": 0.0, "total_ci95": [79.619, 79.619], "rank": 65}, {"candidate_id": "ODC-356D31", "res_at": 1787190320, "skeleton": "XNTZKIDWKVIKIN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 79.547, "axes": {"activity": 27.96, "binding": 18.74, "selectivity": 18.87, "admet": 3.37, "novelty": 6.77, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.277, "fraction": 0.932}, "binding": {"pIC50": 7.83, "LE": 0.298, "potency_term": 0.943, "efficiency_cap": 0.993}, "selectivity": {"fold": 170.1, "selectivity_term": 1.0, "target_engagement": 0.943}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 0.591, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.298, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.277344210330694, "aff_pf": -1.830349365870158, "aff_hs": 0.40029914180437726, "repeats_pf": {"runs": 3, "values": [-1.8184, -1.8015, -1.8711], "mean": -1.8303, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [0.7174, 0.2649, 0.2186], "mean": 0.4003, "spread": 0.4988}, "at": 1787190320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787187682, "scored_at": 1787190320, "alerts": [], "total_sd": 0.359, "total_ci95": [79.105, 80.463], "rank": 66}, {"candidate_id": "ODC-5AF36F", "res_at": 1787037882, "skeleton": "WKZRPFGDTKZFHJ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 79.428, "axes": {"activity": 29.47, "binding": 17.14, "selectivity": 17.26, "admet": 4.5, "novelty": 7.2, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.368, "fraction": 0.982}, "binding": {"pIC50": 7.65, "LE": 0.291, "potency_term": 0.883, "efficiency_cap": 0.97}, "selectivity": {"fold": 90.0, "selectivity_term": 0.977, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.062, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.744, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.368104437201368, "aff_pf": -1.6490343014399211, "aff_hs": 0.30541595816612244, "repeats_pf": {"runs": 3, "values": [-1.7125, -1.6919, -1.5427], "mean": -1.649, "spread": 0.1699}, "repeats_hs": {"runs": 3, "values": [0.1702, 0.4971, 0.249], "mean": 0.3054, "spread": 0.3269}, "at": 1787037882}, "tier": 1, "relegate_reason": [], "submitted_at": 1787034908, "scored_at": 1787037882, "alerts": [], "total_sd": 1.158, "total_ci95": [76.695, 80.703], "rank": 67}, {"candidate_id": "ODC-9CB233", "res_at": 1787503086, "skeleton": "VTZGVCWFRIBXFU", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCCN··········C)CC1", "total": 79.428, "axes": {"activity": 30.0, "binding": 18.14, "selectivity": 15.43, "admet": 4.9, "novelty": 6.98, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.455, "fraction": 1.0}, "binding": {"pIC50": 7.82, "LE": 0.29, "potency_term": 0.94, "efficiency_cap": 0.965}, "selectivity": {"fold": 43.8, "selectivity_term": 0.821, "target_engagement": 0.94}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.361, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.05, "dili": 0.336}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.454636433527273, "aff_pf": -1.8199613094329834, "aff_hs": -0.17803037414948145, "repeats_pf": {"runs": 3, "values": [-1.849, -1.7031, -1.9078], "mean": -1.82, "spread": 0.2046}, "repeats_hs": {"runs": 3, "values": [-0.1663, -0.3032, -0.0646], "mean": -0.178, "spread": 0.2386}, "at": 1787503086}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497663, "scored_at": 1787503086, "alerts": [], "total_sd": 1.276, "total_ci95": [77.106, 81.825], "rank": 68}, {"candidate_id": "ODC-A129ED", "res_at": 1787549179, "skeleton": "ZMYPBIZSFISOCO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 79.408, "axes": {"activity": 30.0, "binding": 17.55, "selectivity": 16.58, "admet": 4.17, "novelty": 7.08, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.442, "fraction": 1.0}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.917, "efficiency_cap": 0.957}, "selectivity": {"fold": 64.2, "selectivity_term": 0.904, "target_engagement": 0.917}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.356, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.441809513989182, "aff_pf": -1.751727859179179, "aff_hs": 0.05554778377215067, "repeats_pf": {"runs": 3, "values": [-1.7655, -1.7126, -1.7771], "mean": -1.7517, "spread": 0.0646}, "repeats_hs": {"runs": 3, "values": [-0.1147, 0.167, 0.1144], "mean": 0.0555, "spread": 0.2817}, "at": 1787549179}, "tier": 1, "relegate_reason": [], "submitted_at": 1787527229, "scored_at": 1787549179, "alerts": [], "total_sd": 0.672, "total_ci95": [78.133, 80.791], "rank": 69}, {"candidate_id": "ODC-B52ADD", "res_at": 1789142001, "skeleton": "ZQGFLVBMVIAONU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-WA-04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········(C)C1", "total": 79.384, "axes": {"activity": 28.56, "binding": 18.4, "selectivity": 16.8, "admet": 5.33, "novelty": 6.61, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.313, "fraction": 0.952}, "binding": {"pIC50": 7.76, "LE": 0.304, "potency_term": 0.92, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.0, "selectivity_term": 0.913, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.39, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.158, "dili": 0.271}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 6.313459266645572, "aff_pf": -1.7602794567743938, "aff_hs": 0.06555070728063583, "repeats_pf": {"runs": 3, "values": [-1.7195, -1.7618, -1.7995], "mean": -1.7603, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [0.0473, 0.0362, 0.1131], "mean": 0.0656, "spread": 0.077}, "at": 1789142001}, "tier": 1, "alerts": [], "total_sd": 0.485, "total_ci95": [78.495, 80.285], "relegate_reason": [], "submitted_at": 1789141669, "scored_at": 1789142001, "rank": 70}, {"candidate_id": "ODC-CF4630", "res_at": 1787635628, "skeleton": "PGQMLWZQOQPTOF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-G01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 79.331, "axes": {"activity": 30.0, "binding": 18.84, "selectivity": 14.6, "admet": 5.02, "novelty": 6.92, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.522, "fraction": 1.0}, "binding": {"pIC50": 7.84, "LE": 0.298, "potency_term": 0.947, "efficiency_cap": 0.995}, "selectivity": {"fold": 34.8, "selectivity_term": 0.771, "target_engagement": 0.947}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.717, "herg": 0.064, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.521700270751184, "aff_pf": -1.8406891822814941, "aff_hs": -0.2990705445408821, "repeats_pf": {"runs": 3, "values": [-1.8881, -1.7961, -1.8379], "mean": -1.8407, "spread": 0.0921}, "repeats_hs": {"runs": 3, "values": [-0.0749, -0.1941, -0.6283], "mean": -0.2991, "spread": 0.5533}, "at": 1787635628}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635165, "scored_at": 1787635628, "alerts": [], "total_sd": 1.326, "total_ci95": [76.909, 81.843], "rank": 71}, {"candidate_id": "ODC-D13F7F", "res_at": 1787283833, "skeleton": "IDPRTYKHQJADTO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 79.288, "axes": {"activity": 30.0, "binding": 16.68, "selectivity": 17.31, "admet": 3.84, "novelty": 7.35, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.563, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.866, "efficiency_cap": 0.964}, "selectivity": {"fold": 117.3, "selectivity_term": 1.0, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 0.799, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.589, "herg": 0.055, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.563470474094725, "aff_pf": -1.5967208941777546, "aff_hs": 0.4725620746612549, "repeats_pf": {"runs": 3, "values": [-1.5292, -1.5943, -1.6667], "mean": -1.5967, "spread": 0.1375}, "repeats_hs": {"runs": 3, "values": [0.4583, 0.3618, 0.5976], "mean": 0.4726, "spread": 0.2358}, "at": 1787283833}, "tier": 1, "relegate_reason": [], "submitted_at": 1787280980, "scored_at": 1787283833, "alerts": [], "total_sd": 0.534, "total_ci95": [78.259, 80.362], "rank": 72}, {"candidate_id": "ODC-055550", "res_at": 1787043993, "skeleton": "JGGKAXVFOKEZRH", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 79.281, "axes": {"activity": 27.69, "binding": 18.58, "selectivity": 18.75, "admet": 3.94, "novelty": 6.47, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.262, "fraction": 0.923}, "binding": {"pIC50": 7.81, "LE": 0.297, "potency_term": 0.938, "efficiency_cap": 0.991}, "selectivity": {"fold": 104.3, "selectivity_term": 1.0, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.101, "caco2-wang": 0.406, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.34, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.056, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 6.261622224534336, "aff_pf": -1.8125192324320476, "aff_hs": 0.20565816884239516, "repeats_pf": {"runs": 3, "values": [-1.8271, -1.737, -1.8734], "mean": -1.8125, "spread": 0.1364}, "repeats_hs": {"runs": 3, "values": [-0.0474, 0.3196, 0.3448], "mean": 0.2057, "spread": 0.3922}, "at": 1787043993}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038799, "scored_at": 1787043993, "alerts": [], "total_sd": 0.949, "total_ci95": [77.021, 80.309], "rank": 73}, {"candidate_id": "ODC-B12175", "res_at": 1787086689, "skeleton": "IWJACTZHQVMSRI", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 79.237, "axes": {"activity": 30.0, "binding": 19.24, "selectivity": 15.1, "admet": 3.64, "novelty": 7.17, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.488, "fraction": 1.0}, "binding": {"pIC50": 8.0, "LE": 0.289, "potency_term": 1.0, "efficiency_cap": 0.962}, "selectivity": {"fold": 32.4, "selectivity_term": 0.755, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 0.864, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.607, "herg": 0.09, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.4876331335374156, "aff_pf": -2.003499666849772, "aff_hs": -0.4931349754333496, "repeats_pf": {"runs": 3, "values": [-1.9518, -2.0443, -2.0143], "mean": -2.0035, "spread": 0.0925}, "repeats_hs": {"runs": 3, "values": [-0.4779, -0.5963, -0.4052], "mean": -0.4931, "spread": 0.1911}, "at": 1787086689}, "tier": 1, "relegate_reason": [], "submitted_at": 1787083750, "scored_at": 1787086689, "alerts": [], "total_sd": 0.574, "total_ci95": [77.914, 80.256], "rank": 74}, {"candidate_id": "ODC-CF5921", "res_at": 1788168732, "skeleton": "PQEWKXRITKELSQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 79.099, "axes": {"activity": 30.0, "binding": 15.99, "selectivity": 16.18, "admet": 5.99, "novelty": 7.11, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.441, "fraction": 1.0}, "binding": {"pIC50": 7.57, "LE": 0.28, "potency_term": 0.856, "efficiency_cap": 0.934}, "selectivity": {"fold": 77.7, "selectivity_term": 0.945, "target_engagement": 0.856}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.349, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.334, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.284, "dili": 0.339}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 6.441117137262244, "aff_pf": -1.5674691994984944, "aff_hs": 0.32300201058387756, "repeats_pf": {"runs": 3, "values": [-1.5789, -1.5854, -1.5381], "mean": -1.5675, "spread": 0.0473}, "repeats_hs": {"runs": 3, "values": [0.2736, 0.4504, 0.245], "mean": 0.323, "spread": 0.2054}, "at": 1788168732}, "tier": 1, "alerts": [], "total_sd": 0.488, "total_ci95": [78.152, 80.024], "relegate_reason": [], "submitted_at": 1788165798, "scored_at": 1788168732, "rank": 75}, {"candidate_id": "ODC-A95B72", "res_at": 1787038072, "skeleton": "UWUZBRYYTFKEJT", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 79.092, "axes": {"activity": 29.48, "binding": 17.13, "selectivity": 18.02, "admet": 3.92, "novelty": 7.24, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.369, "fraction": 0.983}, "binding": {"pIC50": 7.7, "LE": 0.285, "potency_term": 0.901, "efficiency_cap": 0.951}, "selectivity": {"fold": 186.6, "selectivity_term": 1.0, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 0.606, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.47, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.787, "herg": 0.065, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 6.368931124274903, "aff_pf": -1.7022770245869954, "aff_hs": 0.5687197844187418, "repeats_pf": {"runs": 3, "values": [-1.6631, -1.8032, -1.6405], "mean": -1.7023, "spread": 0.1627}, "repeats_hs": {"runs": 3, "values": [0.487, 0.8404, 0.3787], "mean": 0.5687, "spread": 0.4617}, "at": 1787038072}, "tier": 1, "relegate_reason": [], "submitted_at": 1787034918, "scored_at": 1787038072, "alerts": [], "total_sd": 0.64, "total_ci95": [78.154, 80.637], "rank": 76}, {"candidate_id": "ODC-81382F", "res_at": 1787028066, "skeleton": "BREIFBKSXOFMLM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 79.081, "axes": {"activity": 30.0, "binding": 17.49, "selectivity": 15.82, "admet": 4.48, "novelty": 7.33, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.442, "fraction": 1.0}, "binding": {"pIC50": 7.69, "LE": 0.293, "potency_term": 0.896, "efficiency_cap": 0.975}, "selectivity": {"fold": 58.1, "selectivity_term": 0.882, "target_engagement": 0.896}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.052, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.11, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.442401397835234, "aff_pf": -1.6892697016398113, "aff_hs": 0.07499485524992149, "repeats_pf": {"runs": 3, "values": [-1.6601, -1.6953, -1.7123], "mean": -1.6893, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [0.1616, 0.0921, -0.0287], "mean": 0.075, "spread": 0.1903}, "at": 1787028066}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025263, "scored_at": 1787028066, "alerts": [], "total_sd": 0.51, "total_ci95": [78.105, 80.064], "rank": 77}, {"candidate_id": "ODC-2F70D8", "res_at": 1787252612, "skeleton": "LNVOEEUFZKCSEG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 79.07, "axes": {"activity": 28.59, "binding": 18.1, "selectivity": 17.27, "admet": 4.21, "novelty": 7.2, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.315, "fraction": 0.953}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.938, "efficiency_cap": 0.965}, "selectivity": {"fold": 69.2, "selectivity_term": 0.92, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.164, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.315121592258366, "aff_pf": -1.8147590160369873, "aff_hs": 0.025578324993451435, "repeats_pf": {"runs": 3, "values": [-1.7746, -1.853, -1.8168], "mean": -1.8148, "spread": 0.0784}, "repeats_hs": {"runs": 3, "values": [0.0847, -0.2337, 0.2258], "mean": 0.0256, "spread": 0.4595}, "at": 1787252612}, "tier": 1, "relegate_reason": [], "submitted_at": 1787244733, "scored_at": 1787252612, "alerts": [], "total_sd": 0.996, "total_ci95": [77.121, 80.972], "rank": 78}, {"candidate_id": "ODC-7E0C3C", "res_at": 1787201560, "skeleton": "PFDBFRIIWMMIHM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 79.055, "axes": {"activity": 27.95, "binding": 18.64, "selectivity": 18.64, "admet": 3.57, "novelty": 6.4, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.277, "fraction": 0.932}, "binding": {"pIC50": 7.8, "LE": 0.305, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 223.7, "selectivity_term": 1.0, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.337, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.226}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.2770483402169015, "aff_pf": -1.795816977818807, "aff_hs": 0.5538186629613241, "repeats_pf": {"runs": 3, "values": [-1.7571, -1.82, -1.8104], "mean": -1.7958, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [0.478, 0.5946, 0.5889], "mean": 0.5538, "spread": 0.1166}, "at": 1787201560}, "tier": 1, "relegate_reason": [], "submitted_at": 1787196383, "scored_at": 1787201560, "alerts": [], "total_sd": 0.248, "total_ci95": [78.535, 79.497], "rank": 79}, {"candidate_id": "ODC-6F137D", "res_at": 1787102044, "skeleton": "VDYTWYKCOJFSSU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 79.044, "axes": {"activity": 30.0, "binding": 17.98, "selectivity": 15.13, "admet": 4.79, "novelty": 7.14, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.506, "fraction": 1.0}, "binding": {"pIC50": 7.7, "LE": 0.301, "potency_term": 0.899, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.2, "selectivity_term": 0.842, "target_engagement": 0.899}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.192, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.7, "herg": 0.073, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.506030232133086, "aff_pf": -1.6975772380828857, "aff_hs": -0.014557053645451864, "repeats_pf": {"runs": 3, "values": [-1.6112, -1.7553, -1.7262], "mean": -1.6976, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [-0.024, -0.076, 0.0564], "mean": -0.0146, "spread": 0.1324}, "at": 1787102044}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101080, "scored_at": 1787102044, "alerts": [], "total_sd": 0.843, "total_ci95": [77.345, 80.442], "rank": 80}, {"candidate_id": "ODC-D60033", "res_at": 1787487299, "skeleton": "GZAHBRIQHYRVPT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 78.961, "axes": {"activity": 27.25, "binding": 19.31, "selectivity": 17.01, "admet": 4.57, "novelty": 7.19, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.235, "fraction": 0.908}, "binding": {"pIC50": 7.95, "LE": 0.294, "potency_term": 0.984, "efficiency_cap": 0.981}, "selectivity": {"fold": 53.6, "selectivity_term": 0.865, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.246, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.124}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 6.235280926970833, "aff_pf": -1.9510101874669392, "aff_hs": -0.221930926044782, "repeats_pf": {"runs": 3, "values": [-1.9519, -1.9812, -1.92], "mean": -1.951, "spread": 0.0612}, "repeats_hs": {"runs": 3, "values": [-0.2713, -0.2263, -0.1682], "mean": -0.2219, "spread": 0.103}, "at": 1787487299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485417, "scored_at": 1787487299, "alerts": [], "total_sd": 0.511, "total_ci95": [77.94, 79.952], "rank": 81}, {"candidate_id": "ODC-D42F9B", "res_at": 1787060877, "skeleton": "GAHZJRXOOOPSAD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········(F)C1", "total": 78.953, "axes": {"activity": 26.57, "binding": 20.0, "selectivity": 18.23, "admet": 4.56, "novelty": 6.42, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 6.194, "fraction": 0.886}, "binding": {"pIC50": 8.0, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 66.5, "selectivity_term": 0.911, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.292, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.779, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 6.194075605784151, "aff_pf": -2.004067301750183, "aff_hs": -0.18148785332838693, "repeats_pf": {"runs": 3, "values": [-1.9189, -2.1344, -1.9589], "mean": -2.0041, "spread": 0.2155}, "repeats_hs": {"runs": 3, "values": [-0.2612, 0.0557, -0.339], "mean": -0.1815, "spread": 0.3947}, "at": 1787060877}, "tier": 1, "relegate_reason": [], "submitted_at": 1787060590, "scored_at": 1787060877, "alerts": [], "total_sd": 1.382, "total_ci95": [75.932, 80.727], "rank": 82}, {"candidate_id": "ODC-95D435", "res_at": 1788948514, "skeleton": "FUDAAPWMRFILBP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 78.947, "axes": {"activity": 30.0, "binding": 17.34, "selectivity": 16.08, "admet": 4.49, "novelty": 7.18, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.438, "fraction": 1.0}, "binding": {"pIC50": 7.62, "LE": 0.298, "potency_term": 0.872, "efficiency_cap": 0.994}, "selectivity": {"fold": 69.7, "selectivity_term": 0.922, "target_engagement": 0.872}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.115}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 6.43799776406361, "aff_pf": -1.6168934106826782, "aff_hs": 0.22656447688738504, "repeats_pf": {"runs": 3, "values": [-1.6212, -1.623, -1.6064], "mean": -1.6169, "spread": 0.0166}, "repeats_hs": {"runs": 3, "values": [0.2102, 0.2399, 0.2296], "mean": 0.2266, "spread": 0.0297}, "at": 1788948514}, "tier": 1, "alerts": [], "total_sd": 0.125, "total_ci95": [78.672, 79.15], "relegate_reason": [], "submitted_at": 1788947606, "scored_at": 1788948514, "rank": 83}, {"candidate_id": "ODC-C66416", "res_at": 1787722444, "skeleton": "JLPHNCUMBDQLIR", "hf_user": "1Dmeds", "display_name": "ODC26-M30-B2", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 78.907, "axes": {"activity": 27.47, "binding": 18.84, "selectivity": 18.52, "admet": 3.6, "novelty": 6.7, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.248, "fraction": 0.916}, "binding": {"pIC50": 7.83, "LE": 0.315, "potency_term": 0.942, "efficiency_cap": 1.0}, "selectivity": {"fold": 92.5, "selectivity_term": 0.983, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.255, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.695, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.248073502083946, "aff_pf": -1.825824538866679, "aff_hs": 0.1404449219504992, "repeats_pf": {"runs": 3, "values": [-1.809, -1.7547, -1.9138], "mean": -1.8258, "spread": 0.1591}, "repeats_hs": {"runs": 3, "values": [0.2437, 0.2393, -0.0617], "mean": 0.1404, "spread": 0.3055}, "at": 1787722444}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719746, "scored_at": 1787722444, "alerts": [], "total_sd": 1.094, "total_ci95": [76.066, 80.836], "rank": 84}, {"candidate_id": "ODC-8EF9E4", "res_at": 1786986555, "skeleton": "QJRJTWKCNBBZEL", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········)CCC1", "total": 78.871, "axes": {"activity": 25.47, "binding": 19.42, "selectivity": 19.42, "admet": 4.28, "novelty": 6.18, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.128, "fraction": 0.849}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.971, "efficiency_cap": 1.0}, "selectivity": {"fold": 111.5, "selectivity_term": 1.0, "target_engagement": 0.971}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 0.87, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.246, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 6.128195802509443, "aff_pf": -1.9133750597635906, "aff_hs": 0.13391293957829475, "repeats_pf": {"runs": 3, "values": [-1.8561, -1.9666, -1.9174], "mean": -1.9134, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [0.2348, 0.0324, 0.1346], "mean": 0.1339, "spread": 0.2024}, "at": 1786986555}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981337, "scored_at": 1786986555, "alerts": [], "total_sd": 0.54, "total_ci95": [77.621, 79.837], "rank": 85}, {"candidate_id": "ODC-0DBD78", "res_at": 1789213901, "skeleton": "SFXXVCUGUJHTHX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-D18-03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 78.761, "axes": {"activity": 28.83, "binding": 17.98, "selectivity": 16.91, "admet": 4.65, "novelty": 6.59, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.33, "fraction": 0.961}, "binding": {"pIC50": 7.7, "LE": 0.301, "potency_term": 0.899, "efficiency_cap": 1.0}, "selectivity": {"fold": 76.1, "selectivity_term": 0.941, "target_engagement": 0.899}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.355}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.329601523782003, "aff_pf": -1.6967101097106934, "aff_hs": 0.18445477883021036, "repeats_pf": {"runs": 3, "values": [-1.7113, -1.7212, -1.6576], "mean": -1.6967, "spread": 0.0635}, "repeats_hs": {"runs": 3, "values": [0.15, 0.1777, 0.2258], "mean": 0.1845, "spread": 0.0758}, "at": 1789213901}, "tier": 1, "alerts": [], "total_sd": 0.378, "total_ci95": [78.073, 79.457], "relegate_reason": [], "submitted_at": 1789182013, "scored_at": 1789213901, "rank": 86}, {"candidate_id": "ODC-B9F4D7", "res_at": 1787062146, "skeleton": "PJKMKOJWPFHLHF", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 78.665, "axes": {"activity": 29.26, "binding": 20.0, "selectivity": 15.14, "admet": 3.7, "novelty": 6.33, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 6.356, "fraction": 0.975}, "binding": {"pIC50": 8.09, "LE": 0.308, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.6, "selectivity_term": 0.757, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.621, "herg": 0.347, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 6.355514901303796, "aff_pf": -2.0923191706339517, "aff_hs": -0.5787848134835561, "repeats_pf": {"runs": 3, "values": [-2.014, -2.08, -2.1829], "mean": -2.0923, "spread": 0.1689}, "repeats_hs": {"runs": 3, "values": [-0.83, -0.7675, -0.1388], "mean": -0.5788, "spread": 0.6912}, "at": 1787062146}, "tier": 1, "relegate_reason": [], "submitted_at": 1787061094, "scored_at": 1787062146, "alerts": [], "total_sd": 1.827, "total_ci95": [75.798, 83.065], "rank": 87}, {"candidate_id": "ODC-96DBD8", "res_at": 1787044385, "skeleton": "GDSUYOJSBMGLRC", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········l)CC1", "total": 78.572, "axes": {"activity": 30.0, "binding": 16.43, "selectivity": 16.76, "admet": 4.32, "novelty": 6.9, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.431, "fraction": 1.0}, "binding": {"pIC50": 7.51, "LE": 0.294, "potency_term": 0.838, "efficiency_cap": 0.98}, "selectivity": {"fold": 174.5, "selectivity_term": 1.0, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.44, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.069, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.258}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.4306514571368565, "aff_pf": -1.5139594078063965, "aff_hs": 0.7279387911160787, "repeats_pf": {"runs": 3, "values": [-1.5025, -1.4656, -1.5737], "mean": -1.514, "spread": 0.1081}, "repeats_hs": {"runs": 3, "values": [0.7456, 0.6882, 0.7501], "mean": 0.7279, "spread": 0.0619}, "at": 1787044385}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038809, "scored_at": 1787044385, "alerts": [], "total_sd": 0.371, "total_ci95": [77.83, 79.127], "rank": 88}, {"candidate_id": "ODC-8F8F0B", "res_at": 1787052029, "skeleton": "MIPXCBJFXLSZRV", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 78.519, "axes": {"activity": 25.01, "binding": 18.95, "selectivity": 18.71, "admet": 5.35, "novelty": 6.69, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.1, "fraction": 0.834}, "binding": {"pIC50": 7.84, "LE": 0.307, "potency_term": 0.947, "efficiency_cap": 1.0}, "selectivity": {"fold": 94.4, "selectivity_term": 0.987, "target_engagement": 0.947}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.425, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.201, "dili": 0.217}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 6.100354875221945, "aff_pf": -1.842448393503825, "aff_hs": 0.13246693710486093, "repeats_pf": {"runs": 3, "values": [-1.8605, -1.8466, -1.8202], "mean": -1.8424, "spread": 0.0403}, "repeats_hs": {"runs": 3, "values": [0.1959, 0.0226, 0.1788], "mean": 0.1325, "spread": 0.1733}, "at": 1787052029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047472, "scored_at": 1787052029, "alerts": [], "total_sd": 0.42, "total_ci95": [77.594, 79.03], "rank": 89}, {"candidate_id": "ODC-B6A0EB", "res_at": 1788558939, "skeleton": "UIASHOKHOBJCBS", "hf_user": "1Dmeds", "display_name": "ODC26-S1D17", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)NC··········CCCC1", "total": 78.377, "axes": {"activity": 27.6, "binding": 18.5, "selectivity": 18.31, "admet": 3.85, "novelty": 6.48, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.256, "fraction": 0.92}, "binding": {"pIC50": 7.86, "LE": 0.291, "potency_term": 0.954, "efficiency_cap": 0.97}, "selectivity": {"fold": 83.1, "selectivity_term": 0.96, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.055, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.742, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.255735269996147, "aff_pf": -1.8605882326761882, "aff_hs": 0.05919350186983744, "repeats_pf": {"runs": 3, "values": [-1.9094, -1.8908, -1.7815], "mean": -1.8606, "spread": 0.1279}, "repeats_hs": {"runs": 3, "values": [0.1098, 0.0744, -0.0066], "mean": 0.0592, "spread": 0.1165}, "at": 1788558939}, "tier": 1, "alerts": [], "total_sd": 0.947, "total_ci95": [76.885, 80.037], "relegate_reason": [], "submitted_at": 1788517865, "scored_at": 1788558939, "rank": 90}, {"candidate_id": "ODC-54141E", "res_at": 1786947742, "skeleton": "BBTBCWDGQFGUQQ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 78.263, "axes": {"activity": 29.38, "binding": 16.44, "selectivity": 17.46, "admet": 3.99, "novelty": 7.06, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.363, "fraction": 0.979}, "binding": {"pIC50": 7.62, "LE": 0.282, "potency_term": 0.874, "efficiency_cap": 0.941}, "selectivity": {"fold": 99.6, "selectivity_term": 0.999, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.832, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 6.363055176800099, "aff_pf": -1.6214008728663127, "aff_hs": 0.3768781026204427, "repeats_pf": {"runs": 3, "values": [-1.6556, -1.5885, -1.6201], "mean": -1.6214, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [0.4587, 0.2588, 0.4131], "mean": 0.3769, "spread": 0.1999}, "at": 1786947742}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937236, "scored_at": 1786947742, "alerts": [], "total_sd": 0.382, "total_ci95": [77.232, 78.628], "rank": 91}, {"candidate_id": "ODC-915158", "res_at": 1789998851, "skeleton": "QHVLFGWEXZXOHJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-08", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 78.183, "axes": {"activity": 29.5, "binding": 17.55, "selectivity": 15.73, "admet": 4.67, "novelty": 6.94, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.37, "fraction": 0.983}, "binding": {"pIC50": 7.7, "LE": 0.293, "potency_term": 0.899, "efficiency_cap": 0.976}, "selectivity": {"fold": 56.3, "selectivity_term": 0.875, "target_engagement": 0.899}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.343}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "2", "pAct_q10": 6.3701252009256955, "aff_pf": -1.6959561506907146, "aff_hs": 0.0545251357058684, "repeats_pf": {"runs": 3, "values": [-1.6874, -1.6507, -1.7497], "mean": -1.696, "spread": 0.099}, "repeats_hs": {"runs": 3, "values": [0.0305, 0.1269, 0.0062], "mean": 0.0545, "spread": 0.1207}, "at": 1789998851}, "tier": 1, "alerts": [], "total_sd": 0.621, "total_ci95": [77.051, 79.39], "relegate_reason": [], "submitted_at": 1789991836, "scored_at": 1789998851, "rank": 92}, {"candidate_id": "ODC-E3D222", "res_at": 1787487896, "skeleton": "VFMASEMNMBDZGR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········CCCC1", "total": 78.178, "axes": {"activity": 30.0, "binding": 19.26, "selectivity": 13.31, "admet": 4.61, "novelty": 6.91, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.412, "fraction": 1.0}, "binding": {"pIC50": 7.89, "LE": 0.3, "potency_term": 0.963, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.1, "selectivity_term": 0.691, "target_engagement": 0.963}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.114, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.609, "herg": 0.143, "dili": 0.218}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.4115684783228435, "aff_pf": -1.8892844915390015, "aff_hs": -0.5076613624890646, "repeats_pf": {"runs": 3, "values": [-1.758, -1.9906, -1.9193], "mean": -1.8893, "spread": 0.2325}, "repeats_hs": {"runs": 3, "values": [-0.3995, -0.5675, -0.556], "mean": -0.5077, "spread": 0.168}, "at": 1787487896}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485470, "scored_at": 1787487896, "alerts": [], "total_sd": 1.239, "total_ci95": [75.679, 80.373], "rank": 93}, {"candidate_id": "ODC-FF31A0", "res_at": 1786949055, "skeleton": "IXMCVQYTFHTJNK", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 78.099, "axes": {"activity": 30.0, "binding": 15.71, "selectivity": 16.55, "admet": 4.78, "novelty": 7.09, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.455, "fraction": 1.0}, "binding": {"pIC50": 7.48, "LE": 0.285, "potency_term": 0.828, "efficiency_cap": 0.949}, "selectivity": {"fold": 104.0, "selectivity_term": 1.0, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.469, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.454769108572599, "aff_pf": -1.4825328985850017, "aff_hs": 0.5343849162260691, "repeats_pf": {"runs": 3, "values": [-1.5116, -1.4408, -1.4952], "mean": -1.4825, "spread": 0.0708}, "repeats_hs": {"runs": 3, "values": [0.2877, 0.7744, 0.5411], "mean": 0.5344, "spread": 0.4867}, "at": 1786949055}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937244, "scored_at": 1786949055, "alerts": [], "total_sd": 0.669, "total_ci95": [76.198, 78.456], "rank": 94}, {"candidate_id": "ODC-0DFABB", "res_at": 1787061132, "skeleton": "SWXGPOPAFLBQLM", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········)CCC1", "total": 78.041, "axes": {"activity": 24.9, "binding": 20.0, "selectivity": 18.45, "admet": 3.46, "novelty": 7.24, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.094, "fraction": 0.83}, "binding": {"pIC50": 8.12, "LE": 0.301, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.0, "selectivity_term": 0.923, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 0.938, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.722, "herg": 0.05, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.09406646420133, "aff_pf": -2.119920492172241, "aff_hs": -0.2745252301295598, "repeats_pf": {"runs": 3, "values": [-2.1381, -2.1417, -2.0799], "mean": -2.1199, "spread": 0.0618}, "repeats_hs": {"runs": 3, "values": [-0.2839, 0.0202, -0.5598], "mean": -0.2745, "spread": 0.58}, "at": 1787061132}, "tier": 1, "relegate_reason": [], "submitted_at": 1787060686, "scored_at": 1787061132, "alerts": [], "total_sd": 1.251, "total_ci95": [75.394, 79.587], "rank": 95}, {"candidate_id": "ODC-BB5D4E", "res_at": 1787356598, "skeleton": "IOESTTSMDJUYEE", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 78.037, "axes": {"activity": 30.0, "binding": 17.34, "selectivity": 15.4, "admet": 4.16, "novelty": 7.08, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 6.559, "fraction": 1.0}, "binding": {"pIC50": 7.73, "LE": 0.286, "potency_term": 0.909, "efficiency_cap": 0.954}, "selectivity": {"fold": 49.5, "selectivity_term": 0.847, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.106}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.559225171510242, "aff_pf": -1.7269502878189087, "aff_hs": -0.03236803412437439, "repeats_pf": {"runs": 3, "values": [-1.6893, -1.717, -1.7746], "mean": -1.727, "spread": 0.0853}, "repeats_hs": {"runs": 3, "values": [-0.0669, 0.1233, -0.1536], "mean": -0.0324, "spread": 0.2769}, "at": 1787356598}, "tier": 1, "relegate_reason": [], "submitted_at": 1787353672, "scored_at": 1787356598, "alerts": [], "total_sd": 0.769, "total_ci95": [76.724, 79.673], "rank": 96}, {"candidate_id": "ODC-0B86F3", "res_at": 1787017666, "skeleton": "NLDBFGSMDDFCSV", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 78.009, "axes": {"activity": 26.92, "binding": 18.33, "selectivity": 18.56, "admet": 3.9, "novelty": 6.61, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.215, "fraction": 0.897}, "binding": {"pIC50": 7.78, "LE": 0.296, "potency_term": 0.928, "efficiency_cap": 0.987}, "selectivity": {"fold": 217.8, "selectivity_term": 1.0, "target_engagement": 0.928}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 0.676, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.7, "herg": 0.254, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.215396756583586, "aff_pf": -1.7840103308359783, "aff_hs": 0.5540563265482584, "repeats_pf": {"runs": 3, "values": [-1.9007, -1.7586, -1.6928], "mean": -1.784, "spread": 0.2079}, "repeats_hs": {"runs": 3, "values": [0.5337, 0.4448, 0.6837], "mean": 0.5541, "spread": 0.2389}, "at": 1787017666}, "tier": 1, "relegate_reason": [], "submitted_at": 1787017280, "scored_at": 1787017666, "alerts": [], "total_sd": 1.054, "total_ci95": [76.3, 80.582], "rank": 97}, {"candidate_id": "ODC-01A94D", "res_at": 1788948165, "skeleton": "JVYITLXGFORDAZ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 77.961, "axes": {"activity": 30.0, "binding": 15.86, "selectivity": 17.01, "admet": 3.93, "novelty": 7.3, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.443, "fraction": 1.0}, "binding": {"pIC50": 7.55, "LE": 0.28, "potency_term": 0.851, "efficiency_cap": 0.932}, "selectivity": {"fold": 100.8, "selectivity_term": 1.0, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.429, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.126}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.443414453499455, "aff_pf": -1.5521049499511719, "aff_hs": 0.45145923892656964, "repeats_pf": {"runs": 3, "values": [-1.5879, -1.4928, -1.5756], "mean": -1.5521, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [0.5544, 0.4052, 0.3949], "mean": 0.4515, "spread": 0.1595}, "at": 1788948165}, "tier": 1, "alerts": [], "total_sd": 0.51, "total_ci95": [76.642, 78.437], "relegate_reason": [], "submitted_at": 1788947606, "scored_at": 1788948165, "rank": 98}, {"candidate_id": "ODC-84F3A9", "res_at": 1788417360, "skeleton": "YHLVCMVCXLFCNI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-12", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········(C)C1", "total": 77.944, "axes": {"activity": 29.17, "binding": 18.39, "selectivity": 15.8, "admet": 4.65, "novelty": 7.16, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 6.35, "fraction": 0.972}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.949, "efficiency_cap": 0.969}, "selectivity": {"fold": 46.2, "selectivity_term": 0.832, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.724, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.538, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "3", "pAct_q10": 6.349986218545087, "aff_pf": -1.8474323352177937, "aff_hs": -0.18307570119698843, "repeats_pf": {"runs": 3, "values": [-1.8194, -1.7218, -2.0011], "mean": -1.8474, "spread": 0.2794}, "repeats_hs": {"runs": 3, "values": [-0.1525, -0.1768, -0.2199], "mean": -0.1831, "spread": 0.0673}, "at": 1788417360}, "tier": 1, "alerts": [], "total_sd": 1.527, "total_ci95": [75.629, 80.499], "relegate_reason": [], "submitted_at": 1788358231, "scored_at": 1788417360, "rank": 99}, {"candidate_id": "ODC-3DFF62", "res_at": 1788552246, "skeleton": "KHFRNXVNIWMIQM", "hf_user": "1Dmeds", "display_name": "ODC26-S1D05", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 77.931, "axes": {"activity": 30.0, "binding": 16.62, "selectivity": 14.75, "admet": 5.52, "novelty": 7.33, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.404, "fraction": 1.0}, "binding": {"pIC50": 7.59, "LE": 0.289, "potency_term": 0.863, "efficiency_cap": 0.963}, "selectivity": {"fold": 51.1, "selectivity_term": 0.854, "target_engagement": 0.863}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.353, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.61, "herg": 0.146, "dili": 0.259}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 6.4036358518885885, "aff_pf": -1.589452584584554, "aff_hs": 0.11902511119842529, "repeats_pf": {"runs": 3, "values": [-1.5992, -1.6174, -1.5517], "mean": -1.5895, "spread": 0.0658}, "repeats_hs": {"runs": 3, "values": [-0.1067, 0.2974, 0.1664], "mean": 0.119, "spread": 0.4041}, "at": 1788552246}, "tier": 1, "alerts": [], "total_sd": 0.94, "total_ci95": [75.848, 79.613], "relegate_reason": [], "submitted_at": 1788524467, "scored_at": 1788552246, "rank": 100}, {"candidate_id": "ODC-92E694", "res_at": 1789280791, "skeleton": "WSJQXNVWDPLXFI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-PyN-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 77.849, "axes": {"activity": 30.0, "binding": 18.59, "selectivity": 13.6, "admet": 4.5, "novelty": 7.5, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.669, "fraction": 1.0}, "binding": {"pIC50": 7.93, "LE": 0.286, "potency_term": 0.976, "efficiency_cap": 0.953}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.547, "hia-hou": 1.0, "bioavailability-ma": 0.966, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.465, "herg": 0.135, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 6.668670590287959, "aff_pf": -1.9267243146896362, "aff_hs": -0.5323640604813894, "repeats_pf": {"runs": 3, "values": [-1.7875, -2.0139, -1.9788], "mean": -1.9267, "spread": 0.2264}, "repeats_hs": {"runs": 3, "values": [-0.6025, -0.4732, -0.5214], "mean": -0.5324, "spread": 0.1294}, "at": 1789280791}, "tier": 1, "alerts": [], "total_sd": 1.388, "total_ci95": [74.815, 79.897], "relegate_reason": [], "submitted_at": 1789279438, "scored_at": 1789280791, "rank": 101}, {"candidate_id": "ODC-09483E", "res_at": 1788271006, "skeleton": "UQNIYYFEDJDVTF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R153-H01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 77.836, "axes": {"activity": 30.0, "binding": 16.69, "selectivity": 14.96, "admet": 5.14, "novelty": 6.88, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.48, "fraction": 1.0}, "binding": {"pIC50": 7.54, "LE": 0.295, "potency_term": 0.848, "efficiency_cap": 0.984}, "selectivity": {"fold": 58.1, "selectivity_term": 0.882, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.418, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.509, "herg": 0.225, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.4800829028234, "aff_pf": -1.5435041189193726, "aff_hs": 0.22082303961118063, "repeats_pf": {"runs": 3, "values": [-1.5588, -1.5516, -1.5202], "mean": -1.5435, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [0.2094, 0.1846, 0.2685], "mean": 0.2208, "spread": 0.0839}, "at": 1788271006}, "tier": 1, "alerts": [], "total_sd": 0.316, "total_ci95": [77.299, 78.485], "relegate_reason": [], "submitted_at": 1788269716, "scored_at": 1788271006, "rank": 102}, {"candidate_id": "ODC-AD1758", "res_at": 1787642577, "skeleton": "OPXNZCVYNZQTCZ", "hf_user": "1Dmeds", "display_name": "ODC26-N01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 77.766, "axes": {"activity": 30.0, "binding": 17.37, "selectivity": 14.29, "admet": 4.93, "novelty": 7.18, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.426, "fraction": 1.0}, "binding": {"pIC50": 7.68, "LE": 0.292, "potency_term": 0.892, "efficiency_cap": 0.974}, "selectivity": {"fold": 40.0, "selectivity_term": 0.801, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.373, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.116, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.425673158161023, "aff_pf": -1.675643761952718, "aff_hs": -0.0730833113193512, "repeats_pf": {"runs": 3, "values": [-1.7669, -1.6359, -1.6241], "mean": -1.6756, "spread": 0.1429}, "repeats_hs": {"runs": 3, "values": [-0.153, -0.162, 0.0957], "mean": -0.0731, "spread": 0.2577}, "at": 1787642577}, "tier": 1, "relegate_reason": [], "submitted_at": 1787638742, "scored_at": 1787642577, "alerts": [], "total_sd": 1.028, "total_ci95": [75.901, 79.623], "rank": 103}, {"candidate_id": "ODC-67472A", "res_at": 1788949155, "skeleton": "NWXXVDRASWTSTM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········=CCC1", "total": 77.679, "axes": {"activity": 30.0, "binding": 16.8, "selectivity": 16.73, "admet": 3.71, "novelty": 7.26, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 6.575, "fraction": 1.0}, "binding": {"pIC50": 7.66, "LE": 0.284, "potency_term": 0.888, "efficiency_cap": 0.946}, "selectivity": {"fold": 76.6, "selectivity_term": 0.942, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 0.904, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.438, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "0", "pAct_q10": 6.57475697121147, "aff_pf": -1.6643566687901814, "aff_hs": 0.21975120405356088, "repeats_pf": {"runs": 3, "values": [-1.7684, -1.6328, -1.5919], "mean": -1.6644, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [0.1265, 0.3774, 0.1554], "mean": 0.2198, "spread": 0.2509}, "at": 1788949155}, "tier": 1, "alerts": [], "total_sd": 1.16, "total_ci95": [75.66, 79.604], "relegate_reason": [], "submitted_at": 1788947617, "scored_at": 1788949155, "rank": 104}, {"candidate_id": "ODC-06FB68", "res_at": 1788214408, "skeleton": "DYEACWLYANDHHJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 77.599, "axes": {"activity": 22.09, "binding": 20.0, "selectivity": 20.0, "admet": 5.05, "novelty": 6.46, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 5.925, "fraction": 0.736}, "binding": {"pIC50": 8.06, "LE": 0.325, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 124.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.2, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.223}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.925255289962908, "aff_pf": -2.0610293547312417, "aff_hs": 0.03384103377660116, "repeats_pf": {"runs": 3, "values": [-2.1033, -2.0315, -2.0483], "mean": -2.061, "spread": 0.0718}, "repeats_hs": {"runs": 3, "values": [-0.0679, -0.3334, 0.5028], "mean": 0.0338, "spread": 0.8362}, "at": 1788214408}, "tier": 1, "alerts": [], "total_sd": 0.705, "total_ci95": [75.521, 77.599], "relegate_reason": [], "submitted_at": 1788214201, "scored_at": 1788214408, "rank": 105}, {"candidate_id": "ODC-898A06", "res_at": 1788313272, "skeleton": "HATSYBZYBGJLEB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-E-stock-sp6-YCH2F", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 77.445, "axes": {"activity": 29.38, "binding": 16.13, "selectivity": 16.88, "admet": 4.28, "novelty": 7.09, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.363, "fraction": 0.979}, "binding": {"pIC50": 7.58, "LE": 0.281, "potency_term": 0.862, "efficiency_cap": 0.936}, "selectivity": {"fold": 91.1, "selectivity_term": 0.98, "target_engagement": 0.862}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.444, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.478, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.669, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 6.362990951064183, "aff_pf": -1.5847055514653523, "aff_hs": 0.37502847115198773, "repeats_pf": {"runs": 3, "values": [-1.5494, -1.5499, -1.6549], "mean": -1.5847, "spread": 0.1055}, "repeats_hs": {"runs": 3, "values": [0.396, 0.474, 0.2551], "mean": 0.375, "spread": 0.2189}, "at": 1788313272}, "tier": 1, "alerts": [], "total_sd": 0.749, "total_ci95": [76.004, 78.851], "relegate_reason": [], "submitted_at": 1788302151, "scored_at": 1788313272, "rank": 106}, {"candidate_id": "ODC-C1D63F", "res_at": 1786990480, "skeleton": "KDUHMAZRYAFPMA", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········)CCC1", "total": 77.435, "axes": {"activity": 25.92, "binding": 20.0, "selectivity": 16.69, "admet": 4.18, "novelty": 6.38, "synthesis": 4.27}, "detail": {"activity": {"pAct_q10": 6.155, "fraction": 0.864}, "binding": {"pIC50": 8.22, "LE": 0.313, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.7, "selectivity_term": 0.835, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.523, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.434, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 6.1550779904828135, "aff_pf": -2.2215203444163003, "aff_hs": -0.5524011452992758, "repeats_pf": {"runs": 3, "values": [-2.2683, -2.1619, -2.2344], "mean": -2.2215, "spread": 0.1064}, "repeats_hs": {"runs": 3, "values": [-0.5865, -0.5641, -0.5067], "mean": -0.5524, "spread": 0.0798}, "at": 1786990480}, "tier": 1, "relegate_reason": [], "submitted_at": 1786986142, "scored_at": 1786990480, "alerts": [], "total_sd": 0.309, "total_ci95": [76.814, 78.168], "rank": 107}, {"candidate_id": "ODC-6F512C", "res_at": 1788416727, "skeleton": "IHXPSTASZJBIPQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-07", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1CCC(··········F)CC1", "total": 77.412, "axes": {"activity": 30.0, "binding": 17.28, "selectivity": 15.01, "admet": 4.17, "novelty": 7.14, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.488, "fraction": 1.0}, "binding": {"pIC50": 7.72, "LE": 0.286, "potency_term": 0.907, "efficiency_cap": 0.953}, "selectivity": {"fold": 45.2, "selectivity_term": 0.828, "target_engagement": 0.907}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.815, "herg": 0.147, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.488398072996694, "aff_pf": -1.7199719349543254, "aff_hs": -0.06469768285751343, "repeats_pf": {"runs": 3, "values": [-1.4998, -1.7956, -1.8645], "mean": -1.72, "spread": 0.3647}, "repeats_hs": {"runs": 3, "values": [0.0164, 0.0005, -0.211], "mean": -0.0647, "spread": 0.2275}, "at": 1788416727}, "tier": 1, "alerts": [], "total_sd": 2.147, "total_ci95": [73.999, 81.058], "relegate_reason": [], "submitted_at": 1788358210, "scored_at": 1788416727, "rank": 108}, {"candidate_id": "ODC-5858A5", "res_at": 1787059118, "skeleton": "QRTRFBPEKLELIL", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 77.344, "axes": {"activity": 28.6, "binding": 19.02, "selectivity": 14.23, "admet": 4.92, "novelty": 6.9, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.316, "fraction": 0.953}, "binding": {"pIC50": 7.86, "LE": 0.299, "potency_term": 0.954, "efficiency_cap": 0.997}, "selectivity": {"fold": 31.0, "selectivity_term": 0.746, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.458, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.061, "cyp2c9-veith": 0.375, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.855, "herg": 0.05, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "2", "pAct_q10": 6.316263850379259, "aff_pf": -1.861436168352763, "aff_hs": -0.36947012941042584, "repeats_pf": {"runs": 3, "values": [-1.8598, -1.8998, -1.8247], "mean": -1.8614, "spread": 0.0751}, "repeats_hs": {"runs": 3, "values": [-0.2909, -0.4712, -0.3463], "mean": -0.3695, "spread": 0.1803}, "at": 1787059118}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057910, "scored_at": 1787059118, "alerts": [], "total_sd": 0.595, "total_ci95": [76.309, 78.648], "rank": 109}, {"candidate_id": "ODC-B63698", "res_at": 1787070388, "skeleton": "VTNWWCWPNNOWAB", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 77.287, "axes": {"activity": 25.38, "binding": 20.0, "selectivity": 17.02, "admet": 4.26, "novelty": 6.33, "synthesis": 4.29}, "detail": {"activity": {"pAct_q10": 6.123, "fraction": 0.846}, "binding": {"pIC50": 8.16, "LE": 0.329, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.4, "selectivity_term": 0.851, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.639, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 6.123046923898251, "aff_pf": -2.163060506184896, "aff_hs": -0.460964173078537, "repeats_pf": {"runs": 3, "values": [-2.1749, -2.1394, -2.1749], "mean": -2.1631, "spread": 0.0355}, "repeats_hs": {"runs": 3, "values": [-0.3957, -0.6572, -0.33], "mean": -0.461, "spread": 0.3271}, "at": 1787070388}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065234, "scored_at": 1787070388, "alerts": [], "total_sd": 0.873, "total_ci95": [75.325, 78.597], "rank": 110}, {"candidate_id": "ODC-4CEAD0", "res_at": 1787488291, "skeleton": "AIZIFIGSVMNVBQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 77.137, "axes": {"activity": 30.0, "binding": 18.36, "selectivity": 12.34, "admet": 5.4, "novelty": 7.18, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.455, "fraction": 1.0}, "binding": {"pIC50": 7.79, "LE": 0.296, "potency_term": 0.929, "efficiency_cap": 0.988}, "selectivity": {"fold": 21.3, "selectivity_term": 0.664, "target_engagement": 0.929}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.139, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.861, "herg": 0.05, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.455099714238607, "aff_pf": -1.7874033451080322, "aff_hs": -0.4588774194320043, "repeats_pf": {"runs": 3, "values": [-1.7437, -1.8385, -1.78], "mean": -1.7874, "spread": 0.0947}, "repeats_hs": {"runs": 3, "values": [-0.3766, -0.8449, -0.1551], "mean": -0.4589, "spread": 0.6898}, "at": 1787488291}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485495, "scored_at": 1787488291, "alerts": [], "total_sd": 1.63, "total_ci95": [73.551, 80.018], "rank": 111}, {"candidate_id": "ODC-B6A036", "res_at": 1788755897, "skeleton": "CWJBKRNTOYPSBY", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········=CCC1", "total": 77.118, "axes": {"activity": 28.17, "binding": 17.25, "selectivity": 17.69, "admet": 3.88, "novelty": 6.71, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.29, "fraction": 0.939}, "binding": {"pIC50": 7.66, "LE": 0.292, "potency_term": 0.887, "efficiency_cap": 0.972}, "selectivity": {"fold": 98.5, "selectivity_term": 0.997, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.485, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 6.28996278890925, "aff_pf": -1.6622062126795452, "aff_hs": 0.3313409090042114, "repeats_pf": {"runs": 3, "values": [-1.6982, -1.662, -1.6264], "mean": -1.6622, "spread": 0.0718}, "repeats_hs": {"runs": 3, "values": [0.4888, 0.1463, 0.359], "mean": 0.3313, "spread": 0.3425}, "at": 1788755897}, "tier": 1, "alerts": [], "total_sd": 0.586, "total_ci95": [75.536, 77.73], "relegate_reason": [], "submitted_at": 1788662938, "scored_at": 1788755897, "rank": 112}, {"candidate_id": "ODC-324E7F", "res_at": 1788483463, "skeleton": "GXCOUXYNTLYUAO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-10", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 77.025, "axes": {"activity": 28.68, "binding": 19.38, "selectivity": 14.81, "admet": 3.56, "novelty": 6.66, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.321, "fraction": 0.956}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.7, "selectivity_term": 0.764, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.681, "herg": 0.111, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.320510504147276, "aff_pf": -1.9075196981430054, "aff_hs": -0.3793363769849141, "repeats_pf": {"runs": 3, "values": [-1.8359, -1.8787, -2.008], "mean": -1.9075, "spread": 0.1721}, "repeats_hs": {"runs": 3, "values": [-0.1265, -0.6297, -0.3818], "mean": -0.3793, "spread": 0.5032}, "at": 1788483463}, "tier": 1, "alerts": [], "total_sd": 1.67, "total_ci95": [73.612, 80.394], "relegate_reason": [], "submitted_at": 1788419618, "scored_at": 1788483463, "rank": 113}, {"candidate_id": "ODC-B0C091", "res_at": 1787102233, "skeleton": "JEEYHUDWKODSTQ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 76.986, "axes": {"activity": 28.26, "binding": 18.17, "selectivity": 15.61, "admet": 4.7, "novelty": 6.47, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.296, "fraction": 0.942}, "binding": {"pIC50": 7.73, "LE": 0.302, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.2, "selectivity_term": 0.859, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.138, "dili": 0.259}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.295827510910488, "aff_pf": -1.7261765003204346, "aff_hs": -0.008426288763682047, "repeats_pf": {"runs": 3, "values": [-1.74, -1.7121, -1.7264], "mean": -1.7262, "spread": 0.0279}, "repeats_hs": {"runs": 3, "values": [-0.2157, -0.0759, 0.2663], "mean": -0.0084, "spread": 0.482}, "at": 1787102233}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101085, "scored_at": 1787102233, "alerts": [], "total_sd": 1.062, "total_ci95": [75.197, 79.482], "rank": 114}, {"candidate_id": "ODC-F030CF", "res_at": 1787017482, "skeleton": "JWLYSQDOUFCFSI", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 76.932, "axes": {"activity": 26.65, "binding": 18.56, "selectivity": 17.91, "admet": 3.74, "novelty": 6.34, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.199, "fraction": 0.888}, "binding": {"pIC50": 7.78, "LE": 0.323, "potency_term": 0.928, "efficiency_cap": 1.0}, "selectivity": {"fold": 85.1, "selectivity_term": 0.965, "target_engagement": 0.928}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 0.919, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.6, "herg": 0.282, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.19875806035194, "aff_pf": -1.783998171488444, "aff_hs": 0.14600004069507122, "repeats_pf": {"runs": 3, "values": [-1.8415, -1.6264, -1.8841], "mean": -1.784, "spread": 0.2577}, "repeats_hs": {"runs": 3, "values": [0.0115, -0.0472, 0.4738], "mean": 0.146, "spread": 0.521}, "at": 1787017482}, "tier": 1, "relegate_reason": [], "submitted_at": 1787017272, "scored_at": 1787017482, "alerts": [], "total_sd": 1.843, "total_ci95": [72.895, 79.413], "rank": 115}, {"candidate_id": "ODC-03DE47", "res_at": 1788218218, "skeleton": "PUCIVZOCXSCXEN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 76.896, "axes": {"activity": 21.61, "binding": 20.0, "selectivity": 20.0, "admet": 5.02, "novelty": 6.46, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.897, "fraction": 0.72}, "binding": {"pIC50": 8.04, "LE": 0.315, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 445.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.763, "herg": 0.05, "dili": 0.265}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.896844006526322, "aff_pf": -2.044018507003784, "aff_hs": 0.6047142744064331, "repeats_pf": {"runs": 3, "values": [-2.0433, -2.064, -2.0247], "mean": -2.044, "spread": 0.0393}, "repeats_hs": {"runs": 3, "values": [0.7897, 0.6906, 0.3338], "mean": 0.6047, "spread": 0.4559}, "at": 1788218218}, "tier": 1, "alerts": [], "total_sd": 0.0, "total_ci95": [76.896, 76.896], "relegate_reason": [], "submitted_at": 1788218020, "scored_at": 1788218218, "rank": 116}, {"candidate_id": "ODC-C99536", "res_at": 1788758014, "skeleton": "GSACCMZGDCYYBE", "hf_user": "1Dmeds", "display_name": "ODC26-S1D03", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········=CCC1", "total": 76.852, "axes": {"activity": 30.0, "binding": 15.64, "selectivity": 16.83, "admet": 3.44, "novelty": 7.47, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 6.468, "fraction": 1.0}, "binding": {"pIC50": 7.53, "LE": 0.279, "potency_term": 0.842, "efficiency_cap": 0.929}, "selectivity": {"fold": 99.7, "selectivity_term": 0.999, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.514, "herg": 0.057, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 6.4681881566423876, "aff_pf": -1.5258566935857136, "aff_hs": 0.4729219873746236, "repeats_pf": {"runs": 3, "values": [-1.5336, -1.5564, -1.4876], "mean": -1.5259, "spread": 0.0688}, "repeats_hs": {"runs": 3, "values": [0.4242, 0.5108, 0.4838], "mean": 0.4729, "spread": 0.0867}, "at": 1788758014}, "tier": 1, "alerts": [], "total_sd": 0.348, "total_ci95": [75.964, 77.319], "relegate_reason": [], "submitted_at": 1788662961, "scored_at": 1788758014, "rank": 117}, {"candidate_id": "ODC-7AB239", "res_at": 1787643418, "skeleton": "FBUBEKQMSSHXSZ", "hf_user": "1Dmeds", "display_name": "ODC26-V1-spiroC5", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 76.841, "axes": {"activity": 29.91, "binding": 18.21, "selectivity": 12.29, "admet": 5.25, "novelty": 7.19, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.394, "fraction": 0.997}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.924, "efficiency_cap": 0.986}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.668, "herg": 0.251, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.394310156352676, "aff_pf": -1.7715085744857788, "aff_hs": -0.4407706906398137, "repeats_pf": {"runs": 3, "values": [-1.6802, -1.7886, -1.8458], "mean": -1.7715, "spread": 0.1656}, "repeats_hs": {"runs": 3, "values": [-0.6338, 0.0579, -0.7464], "mean": -0.4408, "spread": 0.8043}, "at": 1787643418}, "tier": 1, "relegate_reason": [], "submitted_at": 1787639828, "scored_at": 1787643418, "alerts": [], "total_sd": 1.979, "total_ci95": [73.244, 80.628], "rank": 118}, {"candidate_id": "ODC-435035", "res_at": 1787721952, "skeleton": "NAZHBOZLIRBFLA", "hf_user": "1Dmeds", "display_name": "ODC26-M30-A2", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 76.829, "axes": {"activity": 30.0, "binding": 15.04, "selectivity": 16.02, "admet": 4.63, "novelty": 7.26, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.485, "fraction": 1.0}, "binding": {"pIC50": 7.4, "LE": 0.282, "potency_term": 0.801, "efficiency_cap": 0.939}, "selectivity": {"fold": 473.0, "selectivity_term": 1.0, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.073, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.714, "herg": 0.216, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.4852209759775565, "aff_pf": -1.4024444818496704, "aff_hs": 1.272377610206604, "repeats_pf": {"runs": 3, "values": [-1.5699, -1.2831, -1.3544], "mean": -1.4024, "spread": 0.2868}, "repeats_hs": {"runs": 3, "values": [1.2731, 1.2552, 1.2889], "mean": 1.2724, "spread": 0.0337}, "at": 1787721952}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719730, "scored_at": 1787721952, "alerts": [], "total_sd": 0.965, "total_ci95": [75.055, 78.267], "rank": 119}, {"candidate_id": "ODC-376279", "res_at": 1787871631, "skeleton": "CUKQQHXGYVTWCG", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N1", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 76.826, "axes": {"activity": 25.56, "binding": 19.51, "selectivity": 15.92, "admet": 5.24, "novelty": 6.68, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.134, "fraction": 0.852}, "binding": {"pIC50": 7.93, "LE": 0.418, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.9, "selectivity_term": 0.816, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.356, "ld50-zhu": 0.474, "herg": 0.071, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.133635117616325, "aff_pf": -1.927167296409607, "aff_hs": -0.2951505643626054, "repeats_pf": {"runs": 3, "values": [-1.999, -1.8495, -1.933], "mean": -1.9272, "spread": 0.1495}, "repeats_hs": {"runs": 3, "values": [-0.05, -0.1232, -0.7123], "mean": -0.2952, "spread": 0.6624}, "at": 1787836029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784226, "scored_at": 1787836029, "alerts": [], "total_sd": 2.033, "total_ci95": [73.327, 80.384], "rank": 120}, {"candidate_id": "ODC-9E0498", "res_at": 1788543808, "skeleton": "SBANTGSCBUJLHW", "hf_user": "1Dmeds", "display_name": "ODC26-S1D02", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 76.764, "axes": {"activity": 29.72, "binding": 17.63, "selectivity": 13.92, "admet": 4.6, "novelty": 7.11, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.383, "fraction": 0.991}, "binding": {"pIC50": 7.76, "LE": 0.287, "potency_term": 0.92, "efficiency_cap": 0.958}, "selectivity": {"fold": 32.6, "selectivity_term": 0.756, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.747, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.383218227149389, "aff_pf": -1.7609330415725708, "aff_hs": -0.24821580201387405, "repeats_pf": {"runs": 3, "values": [-1.727, -1.8181, -1.7377], "mean": -1.7609, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [-0.0084, -0.5621, -0.1741], "mean": -0.2482, "spread": 0.5537}, "at": 1788543808}, "tier": 1, "alerts": [], "total_sd": 1.323, "total_ci95": [73.875, 79.302], "relegate_reason": [], "submitted_at": 1788517739, "scored_at": 1788543808, "rank": 121}, {"candidate_id": "ODC-B24122", "res_at": 1787036736, "skeleton": "QHLGMDIQKWMANN", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 76.716, "axes": {"activity": 26.88, "binding": 18.09, "selectivity": 17.85, "admet": 3.75, "novelty": 6.63, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 6.213, "fraction": 0.896}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.938, "efficiency_cap": 0.964}, "selectivity": {"fold": 80.1, "selectivity_term": 0.952, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 0.92, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.212830959636447, "aff_pf": -1.8137768507003784, "aff_hs": 0.0896082619825999, "repeats_pf": {"runs": 3, "values": [-1.7678, -1.8373, -1.8362], "mean": -1.8138, "spread": 0.0694}, "repeats_hs": {"runs": 3, "values": [0.494, -0.6267, 0.4015], "mean": 0.0896, "spread": 1.1207}, "at": 1787036736}, "tier": 1, "relegate_reason": [], "submitted_at": 1787033653, "scored_at": 1787036736, "alerts": [], "total_sd": 2.094, "total_ci95": [69.998, 78.136], "rank": 122}, {"candidate_id": "ODC-14DB69", "res_at": 1789281260, "skeleton": "YQKGDXOIPZFVAR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-CoreN-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 76.671, "axes": {"activity": 30.0, "binding": 19.24, "selectivity": 12.05, "admet": 3.93, "novelty": 7.57, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.831, "fraction": 1.0}, "binding": {"pIC50": 8.0, "LE": 0.289, "potency_term": 1.0, "efficiency_cap": 0.962}, "selectivity": {"fold": 16.0, "selectivity_term": 0.603, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 0.97, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.069, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.57, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.243, "novelty": 0.757}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.831489516063866, "aff_pf": -2.0046679178873696, "aff_hs": -0.7995468179384867, "repeats_pf": {"runs": 3, "values": [-2.0823, -1.8886, -2.0431], "mean": -2.0047, "spread": 0.1937}, "repeats_hs": {"runs": 3, "values": [-1.0385, -0.6069, -0.7532], "mean": -0.7995, "spread": 0.4315}, "at": 1789281260}, "tier": 1, "alerts": [], "total_sd": 1.406, "total_ci95": [73.201, 78.748], "relegate_reason": [], "submitted_at": 1789279488, "scored_at": 1789281260, "rank": 123}, {"candidate_id": "ODC-CF278B", "res_at": 1788949361, "skeleton": "AXGCZTFLRXAVKY", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 76.662, "axes": {"activity": 29.24, "binding": 16.67, "selectivity": 17.66, "admet": 2.99, "novelty": 7.06, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 6.354, "fraction": 0.975}, "binding": {"pIC50": 7.65, "LE": 0.283, "potency_term": 0.883, "efficiency_cap": 0.944}, "selectivity": {"fold": 132.8, "selectivity_term": 1.0, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.205, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.515, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "0", "pAct_q10": 6.354218130340479, "aff_pf": -1.648703972498576, "aff_hs": 0.474335898955663, "repeats_pf": {"runs": 3, "values": [-1.6283, -1.6546, -1.6632], "mean": -1.6487, "spread": 0.0349}, "repeats_hs": {"runs": 3, "values": [0.4046, 0.4779, 0.5404], "mean": 0.4743, "spread": 0.1358}, "at": 1788949361}, "tier": 1, "alerts": [], "total_sd": 0.13, "total_ci95": [76.353, 76.881], "relegate_reason": [], "submitted_at": 1788947617, "scored_at": 1788949361, "rank": 124}, {"candidate_id": "ODC-A9018A", "res_at": 1787480925, "skeleton": "YUGGDWLHOJAOGK", "hf_user": "Ku-ku", "display_name": "KK-M-0823-42", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 76.541, "axes": {"activity": 27.52, "binding": 19.31, "selectivity": 13.28, "admet": 6.04, "novelty": 6.34, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.251, "fraction": 0.917}, "binding": {"pIC50": 7.9, "LE": 0.433, "potency_term": 0.966, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.7, "selectivity_term": 0.687, "target_engagement": 0.966}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.702, "ld50-zhu": 0.514, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 6.251286293124104, "aff_pf": -1.8967911799748738, "aff_hs": -0.5219696561495463, "repeats_pf": {"runs": 3, "values": [-1.9269, -1.877, -1.8865], "mean": -1.8968, "spread": 0.0499}, "repeats_hs": {"runs": 3, "values": [-0.5009, -0.5356, -0.5295], "mean": -0.522, "spread": 0.0347}, "at": 1787480925}, "tier": 1, "relegate_reason": [], "submitted_at": 1787480531, "scored_at": 1787480925, "alerts": [], "total_sd": 0.363, "total_ci95": [76.008, 77.437], "rank": 125}, {"candidate_id": "ODC-1EAE22", "res_at": 1788168442, "skeleton": "PYEGEBHONHDCSA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 76.524, "axes": {"activity": 29.62, "binding": 19.74, "selectivity": 11.26, "admet": 5.29, "novelty": 6.82, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.377, "fraction": 0.987}, "binding": {"pIC50": 7.96, "LE": 0.303, "potency_term": 0.987, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.571, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.42, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.313, "dili": 0.319}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.3773527885461885, "aff_pf": -1.960257093111674, "aff_hs": -0.8191542426745096, "repeats_pf": {"runs": 3, "values": [-1.9914, -1.9747, -1.9147], "mean": -1.9603, "spread": 0.0766}, "repeats_hs": {"runs": 3, "values": [-0.5804, -0.9643, -0.9128], "mean": -0.8192, "spread": 0.3839}, "at": 1788168442}, "tier": 1, "alerts": [], "total_sd": 1.075, "total_ci95": [74.754, 78.88], "relegate_reason": [], "submitted_at": 1788165787, "scored_at": 1788168442, "rank": 126}, {"candidate_id": "ODC-A1BAFE", "res_at": 1788311664, "skeleton": "ZTBXBTIIEOGWID", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-B-arm-C2-sp7-F", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 76.502, "axes": {"activity": 28.42, "binding": 17.51, "selectivity": 15.61, "admet": 4.46, "novelty": 6.73, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.305, "fraction": 0.947}, "binding": {"pIC50": 7.69, "LE": 0.293, "potency_term": 0.897, "efficiency_cap": 0.976}, "selectivity": {"fold": 54.9, "selectivity_term": 0.87, "target_engagement": 0.897}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.558, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.593, "herg": 0.124, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.305287779418722, "aff_pf": -1.6918433507283528, "aff_hs": 0.04750312368075053, "repeats_pf": {"runs": 3, "values": [-1.7472, -1.7593, -1.569], "mean": -1.6918, "spread": 0.1902}, "repeats_hs": {"runs": 3, "values": [-0.0531, 0.2758, -0.0802], "mean": 0.0475, "spread": 0.356}, "at": 1788311664}, "tier": 1, "alerts": [], "total_sd": 1.525, "total_ci95": [73.672, 79.201], "relegate_reason": [], "submitted_at": 1788302117, "scored_at": 1788311664, "rank": 127}, {"candidate_id": "ODC-7724E9", "res_at": 1788489041, "skeleton": "YXXASFSCPDIOHM", "hf_user": "1Dmeds", "display_name": "ODC26-ODC26-S1G-02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········COCC1", "total": 76.502, "axes": {"activity": 30.0, "binding": 18.83, "selectivity": 12.25, "admet": 4.79, "novelty": 7.36, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 6.462, "fraction": 1.0}, "binding": {"pIC50": 7.9, "LE": 0.292, "potency_term": 0.966, "efficiency_cap": 0.975}, "selectivity": {"fold": 18.5, "selectivity_term": 0.634, "target_engagement": 0.966}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.258, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.581, "herg": 0.067, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "0", "pAct_q10": 6.46184347442652, "aff_pf": -1.898107886314392, "aff_hs": -0.6301230788230896, "repeats_pf": {"runs": 3, "values": [-1.9432, -1.9352, -1.8159], "mean": -1.8981, "spread": 0.1274}, "repeats_hs": {"runs": 3, "values": [-0.6749, -0.6539, -0.5616], "mean": -0.6301, "spread": 0.1133}, "at": 1788489041}, "tier": 1, "alerts": [], "total_sd": 0.805, "total_ci95": [74.593, 77.846], "relegate_reason": [], "submitted_at": 1788430523, "scored_at": 1788489041, "rank": 128}, {"candidate_id": "ODC-0F1EF6", "res_at": 1787087053, "skeleton": "PPKOCFCUTKEJPL", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 76.459, "axes": {"activity": 30.0, "binding": 16.92, "selectivity": 14.5, "admet": 3.81, "novelty": 7.14, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.508, "fraction": 1.0}, "binding": {"pIC50": 7.68, "LE": 0.284, "potency_term": 0.893, "efficiency_cap": 0.948}, "selectivity": {"fold": 42.1, "selectivity_term": 0.812, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 0.971, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.104, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 6.507622220569049, "aff_pf": -1.6776811679204304, "aff_hs": -0.05361962070067724, "repeats_pf": {"runs": 3, "values": [-1.798, -1.613, -1.622], "mean": -1.6777, "spread": 0.185}, "repeats_hs": {"runs": 3, "values": [0.129, -0.2052, -0.0847], "mean": -0.0536, "spread": 0.3342}, "at": 1787087053}, "tier": 1, "relegate_reason": [], "submitted_at": 1787083759, "scored_at": 1787087053, "alerts": [], "total_sd": 1.32, "total_ci95": [74.093, 78.894], "rank": 129}, {"candidate_id": "ODC-DF5C3D", "res_at": 1786989705, "skeleton": "WVNTZVSESOAMHF", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCCC··········)CCC1", "total": 76.458, "axes": {"activity": 24.23, "binding": 19.7, "selectivity": 18.26, "admet": 4.04, "novelty": 6.2, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.054, "fraction": 0.808}, "binding": {"pIC50": 7.95, "LE": 0.303, "potency_term": 0.985, "efficiency_cap": 1.0}, "selectivity": {"fold": 71.4, "selectivity_term": 0.927, "target_engagement": 0.985}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.095, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.382, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.053994061470196, "aff_pf": -1.9545578559239705, "aff_hs": -0.10069883366425832, "repeats_pf": {"runs": 3, "values": [-1.8772, -2.0508, -1.9356], "mean": -1.9546, "spread": 0.1736}, "repeats_hs": {"runs": 3, "values": [-0.3252, -0.1454, 0.1685], "mean": -0.1007, "spread": 0.4937}, "at": 1786989705}, "tier": 1, "relegate_reason": [], "submitted_at": 1786986328, "scored_at": 1786989705, "alerts": [], "total_sd": 1.401, "total_ci95": [73.32, 78.722], "rank": 130}, {"candidate_id": "ODC-BD2C67", "res_at": 1788482287, "skeleton": "CNLDZDLVSVOBPP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-07", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 76.367, "axes": {"activity": 23.15, "binding": 19.44, "selectivity": 19.44, "admet": 4.01, "novelty": 6.19, "synthesis": 4.14}, "detail": {"activity": {"pAct_q10": 5.989, "fraction": 0.772}, "binding": {"pIC50": 7.92, "LE": 0.319, "potency_term": 0.972, "efficiency_cap": 1.0}, "selectivity": {"fold": 231.8, "selectivity_term": 1.0, "target_engagement": 0.972}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.084, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.989082173227996, "aff_pf": -1.9159319798151653, "aff_hs": 0.4492496848106384, "repeats_pf": {"runs": 3, "values": [-1.9536, -1.8693, -1.9249], "mean": -1.9159, "spread": 0.0843}, "repeats_hs": {"runs": 3, "values": [0.6557, 0.4518, 0.2402], "mean": 0.4492, "spread": 0.4155}, "at": 1788482287}, "tier": 1, "alerts": [], "total_sd": 0.389, "total_ci95": [75.516, 77.055], "relegate_reason": [], "submitted_at": 1788419612, "scored_at": 1788482287, "rank": 131}, {"candidate_id": "ODC-42DC9E", "res_at": 1788083320, "skeleton": "WNXZOBJJLLGDRX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 76.332, "axes": {"activity": 30.0, "binding": 16.74, "selectivity": 13.3, "admet": 5.09, "novelty": 6.9, "synthesis": 4.3}, "detail": {"activity": {"pAct_q10": 6.498, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.868, "efficiency_cap": 0.965}, "selectivity": {"fold": 34.1, "selectivity_term": 0.766, "target_engagement": 0.868}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.406, "hia-hou": 1.0, "bioavailability-ma": 0.974, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.668, "herg": 0.146, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 6.4977159590334175, "aff_pf": -1.6039284467697144, "aff_hs": -0.07169109582901001, "repeats_pf": {"runs": 3, "values": [-1.6327, -1.5925, -1.5867], "mean": -1.6039, "spread": 0.046}, "repeats_hs": {"runs": 3, "values": [-0.0863, 0.0069, -0.1357], "mean": -0.0717, "spread": 0.1426}, "at": 1788083320}, "tier": 1, "alerts": [], "total_sd": 0.422, "total_ci95": [75.58, 77.253], "relegate_reason": [], "submitted_at": 1788069693, "scored_at": 1788083320, "rank": 132}, {"candidate_id": "ODC-91955E", "res_at": 1787486704, "skeleton": "CQXWYYNALNQLMY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 76.328, "axes": {"activity": 28.39, "binding": 17.32, "selectivity": 15.24, "admet": 4.6, "novelty": 7.12, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.304, "fraction": 0.946}, "binding": {"pIC50": 7.67, "LE": 0.292, "potency_term": 0.89, "efficiency_cap": 0.973}, "selectivity": {"fold": 51.6, "selectivity_term": 0.856, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.466, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.248, "novelty": 0.752}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.303613120023913, "aff_pf": -1.6701462268829346, "aff_hs": 0.04254933694998423, "repeats_pf": {"runs": 3, "values": [-1.7258, -1.666, -1.6186], "mean": -1.6701, "spread": 0.1073}, "repeats_hs": {"runs": 3, "values": [-0.0869, -0.09, 0.3045], "mean": 0.0425, "spread": 0.3945}, "at": 1787486704}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485377, "scored_at": 1787486704, "alerts": [], "total_sd": 1.101, "total_ci95": [74.353, 78.66], "rank": 133}, {"candidate_id": "ODC-A77912", "res_at": 1787059370, "skeleton": "UFCOBHDUBMYPII", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCC1F", "total": 76.297, "axes": {"activity": 30.0, "binding": 18.7, "selectivity": 12.36, "admet": 5.31, "novelty": 7.3, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 6.424, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.298, "potency_term": 0.942, "efficiency_cap": 0.993}, "selectivity": {"fold": 20.5, "selectivity_term": 0.656, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.121, "cyp2c9-veith": 0.542, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.765, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "2", "pAct_q10": 6.4244817081578685, "aff_pf": -1.8258174657821655, "aff_hs": -0.513237714767456, "repeats_pf": {"runs": 3, "values": [-1.8933, -1.7028, -1.8814], "mean": -1.8258, "spread": 0.1905}, "repeats_hs": {"runs": 3, "values": [0.0051, -0.296, -1.2488], "mean": -0.5132, "spread": 1.2539}, "at": 1787059370}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057923, "scored_at": 1787059370, "alerts": [], "total_sd": 3.208, "total_ci95": [69.79, 81.773], "rank": 134}, {"candidate_id": "ODC-41E7F8", "res_at": 1786987714, "skeleton": "IWNRUHBLFVRWOE", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCC··········)CCC1", "total": 76.278, "axes": {"activity": 25.21, "binding": 19.52, "selectivity": 16.82, "admet": 4.25, "novelty": 6.39, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.113, "fraction": 0.84}, "binding": {"pIC50": 7.93, "LE": 0.302, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.9, "selectivity_term": 0.862, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 0.71, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 6.112715002495296, "aff_pf": -1.9284603198369343, "aff_hs": -0.20499212046464285, "repeats_pf": {"runs": 3, "values": [-2.0748, -1.8455, -1.8651], "mean": -1.9285, "spread": 0.2293}, "repeats_hs": {"runs": 3, "values": [-0.1421, -0.3182, -0.1547], "mean": -0.205, "spread": 0.1762}, "at": 1786987714}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981428, "scored_at": 1786987714, "alerts": [], "total_sd": 1.643, "total_ci95": [73.528, 78.947], "rank": 135}, {"candidate_id": "ODC-FF0F27", "res_at": 1788480407, "skeleton": "ILDPFRUBQPXMSL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-03", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 76.062, "axes": {"activity": 21.65, "binding": 19.6, "selectivity": 19.6, "admet": 4.83, "novelty": 6.28, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.899, "fraction": 0.722}, "binding": {"pIC50": 7.94, "LE": 0.311, "potency_term": 0.98, "efficiency_cap": 1.0}, "selectivity": {"fold": 150.0, "selectivity_term": 1.0, "target_engagement": 0.98}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.128, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.8990384025688165, "aff_pf": -1.9393498102823894, "aff_hs": 0.23680131137371063, "repeats_pf": {"runs": 3, "values": [-1.8828, -2.0151, -1.9202], "mean": -1.9393, "spread": 0.1323}, "repeats_hs": {"runs": 3, "values": [0.1178, 0.3918, 0.2008], "mean": 0.2368, "spread": 0.274}, "at": 1788480407}, "tier": 1, "alerts": [], "total_sd": 0.561, "total_ci95": [75.015, 77.185], "relegate_reason": [], "submitted_at": 1788419601, "scored_at": 1788480407, "rank": 136}, {"candidate_id": "ODC-8F4E2A", "res_at": 1788564563, "skeleton": "KLRNILPQJNKHMW", "hf_user": "1Dmeds", "display_name": "ODC26-S1D03", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 76.05, "axes": {"activity": 26.96, "binding": 18.0, "selectivity": 16.61, "admet": 4.53, "novelty": 6.55, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 6.217, "fraction": 0.899}, "binding": {"pIC50": 7.75, "LE": 0.295, "potency_term": 0.916, "efficiency_cap": 0.983}, "selectivity": {"fold": 65.1, "selectivity_term": 0.907, "target_engagement": 0.916}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.617, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.744, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 6.217342549287998, "aff_pf": -1.7475862105687459, "aff_hs": 0.06585711985826492, "repeats_pf": {"runs": 3, "values": [-1.8277, -1.5965, -1.8185], "mean": -1.7476, "spread": 0.2312}, "repeats_hs": {"runs": 3, "values": [0.0883, 0.1794, -0.0701], "mean": 0.0659, "spread": 0.2495}, "at": 1788564563}, "tier": 1, "alerts": [], "total_sd": 1.732, "total_ci95": [72.744, 79.267], "relegate_reason": [], "submitted_at": 1788524451, "scored_at": 1788564563, "rank": 137}, {"candidate_id": "ODC-30492A", "res_at": 1787574483, "skeleton": "UDQJTRKXAMGSGN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FINAL3-N14", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········(C)C1", "total": 76.001, "axes": {"activity": 29.66, "binding": 17.51, "selectivity": 12.33, "admet": 5.65, "novelty": 7.13, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.379, "fraction": 0.989}, "binding": {"pIC50": 7.69, "LE": 0.293, "potency_term": 0.897, "efficiency_cap": 0.976}, "selectivity": {"fold": 23.7, "selectivity_term": 0.687, "target_engagement": 0.897}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.622, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.645, "herg": 0.166, "dili": 0.288}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 6.379419242457325, "aff_pf": -1.6916800340016682, "aff_hs": -0.31746597091356915, "repeats_pf": {"runs": 3, "values": [-1.6157, -1.7873, -1.672], "mean": -1.6917, "spread": 0.1716}, "repeats_hs": {"runs": 3, "values": [-0.2836, -0.3615, -0.3073], "mean": -0.3175, "spread": 0.078}, "at": 1787574483}, "tier": 1, "relegate_reason": [], "submitted_at": 1787574089, "scored_at": 1787574483, "alerts": [], "total_sd": 0.969, "total_ci95": [74.35, 78.269], "rank": 138}, {"candidate_id": "ODC-088CAE", "res_at": 1787722718, "skeleton": "QLILKVNQWHQCJU", "hf_user": "1Dmeds", "display_name": "ODC26-M30-B4", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 75.965, "axes": {"activity": 26.02, "binding": 20.0, "selectivity": 15.32, "admet": 4.42, "novelty": 5.87, "synthesis": 4.33}, "detail": {"activity": {"pAct_q10": 6.161, "fraction": 0.867}, "binding": {"pIC50": 8.08, "LE": 0.335, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.1, "selectivity_term": 0.766, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.242, "dili": 0.17}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 6.161491779879297, "aff_pf": -2.0763450463612876, "aff_hs": -0.5441531240940094, "repeats_pf": {"runs": 3, "values": [-2.0777, -2.1061, -2.0453], "mean": -2.0763, "spread": 0.0607}, "repeats_hs": {"runs": 3, "values": [-0.7312, -0.4876, -0.4137], "mean": -0.5442, "spread": 0.3175}, "at": 1787722718}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719754, "scored_at": 1787722718, "alerts": [], "total_sd": 0.812, "total_ci95": [74.596, 77.27], "rank": 139}, {"candidate_id": "ODC-20CECC", "res_at": 1788227070, "skeleton": "YNUTZQZEDBMMGR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 75.936, "axes": {"activity": 28.03, "binding": 19.13, "selectivity": 12.93, "admet": 5.27, "novelty": 6.68, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.282, "fraction": 0.934}, "binding": {"pIC50": 7.87, "LE": 0.308, "potency_term": 0.957, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.5, "selectivity_term": 0.676, "target_engagement": 0.957}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.669, "herg": 0.234, "dili": 0.308}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.281941659985303, "aff_pf": -1.8698205947875977, "aff_hs": -0.5178410212198893, "repeats_pf": {"runs": 3, "values": [-1.8865, -1.8534, -1.8696], "mean": -1.8698, "spread": 0.0331}, "repeats_hs": {"runs": 3, "values": [-0.8302, -0.8089, 0.0855], "mean": -0.5178, "spread": 0.9157}, "at": 1788227070}, "tier": 1, "alerts": [], "total_sd": 2.409, "total_ci95": [72.671, 81.708], "relegate_reason": [], "submitted_at": 1788165764, "scored_at": 1788227070, "rank": 140}, {"candidate_id": "ODC-9E85E0", "res_at": 1788759761, "skeleton": "BSECYLHSWFMUSF", "hf_user": "1Dmeds", "display_name": "ODC26-S1D05", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 75.926, "axes": {"activity": 29.72, "binding": 15.6, "selectivity": 15.75, "admet": 4.52, "novelty": 7.26, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 6.383, "fraction": 0.991}, "binding": {"pIC50": 7.57, "LE": 0.273, "potency_term": 0.857, "efficiency_cap": 0.91}, "selectivity": {"fold": 68.7, "selectivity_term": 0.919, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.546, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "0", "pAct_q10": 6.383131445079509, "aff_pf": -1.5717945496241252, "aff_hs": 0.2654583106438319, "repeats_pf": {"runs": 3, "values": [-1.5734, -1.6134, -1.5286], "mean": -1.5718, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [0.3091, 0.2811, 0.2061], "mean": 0.2655, "spread": 0.103}, "at": 1788759761}, "tier": 1, "alerts": [], "total_sd": 0.48, "total_ci95": [74.993, 76.872], "relegate_reason": [], "submitted_at": 1788662975, "scored_at": 1788759761, "rank": 141}, {"candidate_id": "ODC-CC1E7D", "res_at": 1788052212, "skeleton": "XPKDGOVYCODLDY", "hf_user": "Ku-ku", "display_name": "KK-M-0829-353", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 75.877, "axes": {"activity": 22.55, "binding": 19.66, "selectivity": 18.62, "admet": 4.79, "novelty": 7.31, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.953, "fraction": 0.752}, "binding": {"pIC50": 7.95, "LE": 0.403, "potency_term": 0.983, "efficiency_cap": 1.0}, "selectivity": {"fold": 78.5, "selectivity_term": 0.947, "target_engagement": 0.983}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.428, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.9}}, "run": {"gpu": "3", "pAct_q10": 5.953162938962308, "aff_pf": -1.948711673418681, "aff_hs": -0.053999620179335274, "repeats_pf": {"runs": 3, "values": [-1.8464, -2.0371, -1.9626], "mean": -1.9487, "spread": 0.1907}, "repeats_hs": {"runs": 3, "values": [-0.2034, -0.0444, 0.0858], "mean": -0.054, "spread": 0.2892}, "at": 1788052212}, "tier": 1, "alerts": [], "total_sd": 1.223, "total_ci95": [73.147, 77.857], "relegate_reason": [], "submitted_at": 1787992054, "scored_at": 1788052212, "rank": 142}, {"candidate_id": "ODC-F10B7E", "res_at": 1788215179, "skeleton": "HMXXPZOPHFSSSH", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 75.716, "axes": {"activity": 21.36, "binding": 20.0, "selectivity": 18.97, "admet": 4.9, "novelty": 6.54, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.881, "fraction": 0.712}, "binding": {"pIC50": 8.09, "LE": 0.317, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 78.8, "selectivity_term": 0.948, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.342, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.795, "herg": 0.05, "dili": 0.353}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.881355891975858, "aff_pf": -2.0941243171691895, "aff_hs": -0.19758567214012146, "repeats_pf": {"runs": 3, "values": [-2.0993, -2.0679, -2.1152], "mean": -2.0941, "spread": 0.0473}, "repeats_hs": {"runs": 3, "values": [-0.1953, -0.2122, -0.1852], "mean": -0.1976, "spread": 0.027}, "at": 1788215179}, "tier": 1, "alerts": [], "total_sd": 0.132, "total_ci95": [75.454, 75.961], "relegate_reason": [], "submitted_at": 1788214983, "scored_at": 1788215179, "rank": 143}, {"candidate_id": "ODC-794AA0", "res_at": 1787206430, "skeleton": "ORPXDICZDAVXHA", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 75.634, "axes": {"activity": 30.0, "binding": 18.14, "selectivity": 11.79, "admet": 4.58, "novelty": 6.95, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.432, "fraction": 1.0}, "binding": {"pIC50": 7.76, "LE": 0.295, "potency_term": 0.921, "efficiency_cap": 0.985}, "selectivity": {"fold": 19.1, "selectivity_term": 0.64, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.403, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.522, "herg": 0.275, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.431971913381287, "aff_pf": -1.763026754061381, "aff_hs": -0.4824218253294627, "repeats_pf": {"runs": 3, "values": [-1.6811, -1.8897, -1.7183], "mean": -1.763, "spread": 0.2086}, "repeats_hs": {"runs": 3, "values": [-0.1101, -0.7365, -0.6006], "mean": -0.4824, "spread": 0.6264}, "at": 1787206430}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201882, "scored_at": 1787206430, "alerts": [], "total_sd": 1.795, "total_ci95": [72.367, 79.357], "rank": 144}, {"candidate_id": "ODC-1B07C3", "res_at": 1788818413, "skeleton": "RRHASEODKJWXMX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0907-08", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 75.629, "axes": {"activity": 27.23, "binding": 17.86, "selectivity": 17.77, "admet": 3.59, "novelty": 6.6, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 6.234, "fraction": 0.908}, "binding": {"pIC50": 7.68, "LE": 0.301, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 97.8, "selectivity_term": 0.995, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.545, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "0", "pAct_q10": 6.23365490863467, "aff_pf": -1.6784074306488037, "aff_hs": 0.31211652358373004, "repeats_pf": {"runs": 3, "values": [-1.6422, -1.7653, -1.6277], "mean": -1.6784, "spread": 0.1377}, "repeats_hs": {"runs": 3, "values": [0.3616, 0.3228, 0.252], "mean": 0.3121, "spread": 0.1096}, "at": 1788818413}, "tier": 1, "alerts": [], "total_sd": 0.674, "total_ci95": [74.314, 77.072], "relegate_reason": [], "submitted_at": 1788759154, "scored_at": 1788818413, "rank": 145}, {"candidate_id": "ODC-7A9C27", "res_at": 1787043799, "skeleton": "QUXRMENHEXCQTA", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 75.473, "axes": {"activity": 30.0, "binding": 15.87, "selectivity": 14.27, "admet": 4.26, "novelty": 6.82, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 6.644, "fraction": 1.0}, "binding": {"pIC50": 7.5, "LE": 0.285, "potency_term": 0.834, "efficiency_cap": 0.952}, "selectivity": {"fold": 51.4, "selectivity_term": 0.856, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.397, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.14}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 6.644368418435825, "aff_pf": -1.5010541677474976, "aff_hs": 0.21019428968429565, "repeats_pf": {"runs": 3, "values": [-1.5455, -1.429, -1.5287], "mean": -1.5011, "spread": 0.1164}, "repeats_hs": {"runs": 3, "values": [0.0936, 0.1785, 0.3585], "mean": 0.2102, "spread": 0.2649}, "at": 1787043799}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038794, "scored_at": 1787043799, "alerts": [], "total_sd": 0.849, "total_ci95": [73.874, 76.972], "rank": 146}, {"candidate_id": "ODC-3B72D0", "res_at": 1787666267, "skeleton": "NXYZLEVDOHLELS", "hf_user": "Ku-ku", "display_name": "KK-M-0825-32", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 75.456, "axes": {"activity": 15.0, "binding": 19.91, "selectivity": 19.91, "admet": 10.52, "novelty": 6.49, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 7.99, "LE": 0.476, "potency_term": 0.996, "efficiency_cap": 1.0}, "selectivity": {"fold": 111.3, "selectivity_term": 1.0, "target_engagement": 0.996}, "admet": {"geometric_mean": 0.704, "per_endpoint": {"solubility-aqsoldb": 0.716, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.656, "cyp3a4-substrate-carbonmangels": 0.751, "ld50-zhu": 0.447, "herg": 0.465, "dili": 0.432}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.49998025625268, "aff_pf": -1.9867730538050334, "aff_hs": 0.05976239095131556, "repeats_pf": {"runs": 3, "values": [-1.9756, -1.9911, -1.9936], "mean": -1.9868, "spread": 0.018}, "repeats_hs": {"runs": 3, "values": [0.1032, 0.1159, -0.0398], "mean": 0.0598, "spread": 0.1558}, "at": 1787666267}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.132, "total_ci95": [75.108, 75.594], "relegate_reason": [], "submitted_at": 1787665905, "scored_at": 1787666267, "rank": 147}, {"candidate_id": "ODC-3748AA", "res_at": 1787035788, "skeleton": "BASDXVXBOYPKJZ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 75.426, "axes": {"activity": 27.09, "binding": 16.58, "selectivity": 17.59, "admet": 3.94, "novelty": 6.67, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 6.225, "fraction": 0.903}, "binding": {"pIC50": 7.64, "LE": 0.283, "potency_term": 0.879, "efficiency_cap": 0.943}, "selectivity": {"fold": 103.0, "selectivity_term": 1.0, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.386, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.225499801607919, "aff_pf": -1.63803497950236, "aff_hs": 0.37464527289072674, "repeats_pf": {"runs": 3, "values": [-1.602, -1.6995, -1.6126], "mean": -1.638, "spread": 0.0975}, "repeats_hs": {"runs": 3, "values": [0.3089, 0.3719, 0.4431], "mean": 0.3746, "spread": 0.1341}, "at": 1787035788}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032612, "scored_at": 1787035788, "alerts": [], "total_sd": 0.499, "total_ci95": [74.375, 76.358], "rank": 148}, {"candidate_id": "ODC-A219D0", "res_at": 1786948865, "skeleton": "SNSJKMRSQLUHNU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 75.423, "axes": {"activity": 25.66, "binding": 19.51, "selectivity": 15.39, "admet": 4.55, "novelty": 6.13, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 6.139, "fraction": 0.855}, "binding": {"pIC50": 7.93, "LE": 0.329, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.8, "selectivity_term": 0.789, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.598, "herg": 0.227, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 6.139451809181504, "aff_pf": -1.9268644253412883, "aff_hs": -0.3492204050223033, "repeats_pf": {"runs": 3, "values": [-1.9235, -1.9336, -1.9235], "mean": -1.9269, "spread": 0.0101}, "repeats_hs": {"runs": 3, "values": [-0.2153, -0.4278, -0.4046], "mean": -0.3492, "spread": 0.2125}, "at": 1786948865}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937231, "scored_at": 1786948865, "alerts": [], "total_sd": 0.503, "total_ci95": [74.657, 76.639], "rank": 149}, {"candidate_id": "ODC-C85CD9", "res_at": 1787050571, "skeleton": "PUAOWUGTPRPTPW", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 75.415, "axes": {"activity": 25.6, "binding": 20.0, "selectivity": 15.09, "admet": 3.52, "novelty": 7.21, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.136, "fraction": 0.853}, "binding": {"pIC50": 8.07, "LE": 0.316, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.3, "selectivity_term": 0.754, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 0.95, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.136045936005801, "aff_pf": -2.069300731023153, "aff_hs": -0.5606892903645834, "repeats_pf": {"runs": 3, "values": [-2.0386, -2.0939, -2.0754], "mean": -2.0693, "spread": 0.0553}, "repeats_hs": {"runs": 3, "values": [-0.5393, -0.3996, -0.7431], "mean": -0.5607, "spread": 0.3435}, "at": 1787050571}, "tier": 1, "relegate_reason": [], "submitted_at": 1787045040, "scored_at": 1787050571, "alerts": [], "total_sd": 0.828, "total_ci95": [73.837, 76.964], "rank": 150}, {"candidate_id": "ODC-792D99", "res_at": 1787062390, "skeleton": "VQGFCXZQVHZTNI", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 75.368, "axes": {"activity": 25.11, "binding": 19.44, "selectivity": 16.52, "admet": 3.38, "novelty": 7.04, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 7.92, "LE": 0.301, "potency_term": 0.972, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.0, "selectivity_term": 0.85, "target_engagement": 0.972}, "admet": {"geometric_mean": 0.232, "per_endpoint": {"solubility-aqsoldb": 0.055, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 0.843, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.726, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.106590312450529, "aff_pf": -1.916153113047282, "aff_hs": -0.2169199933608373, "repeats_pf": {"runs": 3, "values": [-1.8392, -1.967, -1.9422], "mean": -1.9162, "spread": 0.1278}, "repeats_hs": {"runs": 3, "values": [-0.2865, -0.2198, -0.1445], "mean": -0.2169, "spread": 0.1421}, "at": 1787062390}, "tier": 1, "relegate_reason": [], "submitted_at": 1787061189, "scored_at": 1787062390, "alerts": [], "total_sd": 1.004, "total_ci95": [73.103, 76.996], "rank": 151}, {"candidate_id": "ODC-B30024", "res_at": 1788048497, "skeleton": "FRPKXCDLJBUNHU", "hf_user": "Ku-ku", "display_name": "KK-M-0829-746", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 75.348, "axes": {"activity": 25.04, "binding": 18.43, "selectivity": 17.09, "admet": 4.84, "novelty": 6.72, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 6.103, "fraction": 0.835}, "binding": {"pIC50": 7.76, "LE": 0.38, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 71.5, "selectivity_term": 0.927, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.955, "cyp2c9-veith": 0.118, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.76, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 6.102695547662163, "aff_pf": -1.7645187377929688, "aff_hs": 0.08998947342236836, "repeats_pf": {"runs": 3, "values": [-1.7266, -1.7575, -1.8095], "mean": -1.7645, "spread": 0.0829}, "repeats_hs": {"runs": 3, "values": [-0.2987, 0.2557, 0.3129], "mean": 0.09, "spread": 0.6116}, "at": 1788048497}, "tier": 1, "alerts": [], "total_sd": 1.289, "total_ci95": [72.491, 77.205], "relegate_reason": [], "submitted_at": 1787992099, "scored_at": 1788048497, "rank": 152}, {"candidate_id": "ODC-BBB6F0", "res_at": 1786950742, "skeleton": "OYJYQIAZNMZEOD", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 75.315, "axes": {"activity": 26.97, "binding": 18.55, "selectivity": 15.45, "admet": 4.2, "novelty": 6.44, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.218, "fraction": 0.899}, "binding": {"pIC50": 7.78, "LE": 0.314, "potency_term": 0.928, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.3, "selectivity_term": 0.833, "target_engagement": 0.928}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.386, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.218020544118989, "aff_pf": -1.782857894897461, "aff_hs": -0.11748313903808594, "repeats_pf": {"runs": 3, "values": [-1.8287, -1.7042, -1.8157], "mean": -1.7829, "spread": 0.1246}, "repeats_hs": {"runs": 3, "values": [-0.0886, -0.0496, -0.2142], "mean": -0.1175, "spread": 0.1646}, "at": 1786950742}, "tier": 1, "relegate_reason": [], "submitted_at": 1786940182, "scored_at": 1786950742, "alerts": [], "total_sd": 0.961, "total_ci95": [73.444, 76.943], "rank": 153}, {"candidate_id": "ODC-DF11BE", "res_at": 1786948119, "skeleton": "VSOGVWCITXYVDM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 75.265, "axes": {"activity": 27.11, "binding": 18.09, "selectivity": 16.15, "admet": 3.96, "novelty": 6.38, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 6.227, "fraction": 0.904}, "binding": {"pIC50": 7.71, "LE": 0.302, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.1, "selectivity_term": 0.893, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.909, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.226709009215984, "aff_pf": -1.7129446665445964, "aff_hs": 0.07330270111560822, "repeats_pf": {"runs": 3, "values": [-1.5706, -1.8696, -1.6986], "mean": -1.7129, "spread": 0.299}, "repeats_hs": {"runs": 3, "values": [0.067, -0.0768, 0.2298], "mean": 0.0733, "spread": 0.3066}, "at": 1786948119}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935334, "scored_at": 1786948119, "alerts": [], "total_sd": 1.912, "total_ci95": [72.031, 79.038], "rank": 154}, {"candidate_id": "ODC-4231BD", "res_at": 1788311454, "skeleton": "NEJZCJNDIWBKTI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-E-stock-sp6-YCN", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 75.222, "axes": {"activity": 29.89, "binding": 17.65, "selectivity": 12.26, "admet": 4.36, "novelty": 7.28, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.393, "fraction": 0.996}, "binding": {"pIC50": 7.76, "LE": 0.287, "potency_term": 0.921, "efficiency_cap": 0.958}, "selectivity": {"fold": 21.5, "selectivity_term": 0.666, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.394, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.06, "dili": 0.146}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.393269909953597, "aff_pf": -1.7625946601231892, "aff_hs": -0.4309033453464508, "repeats_pf": {"runs": 3, "values": [-1.7346, -1.7715, -1.7818], "mean": -1.7626, "spread": 0.0472}, "repeats_hs": {"runs": 3, "values": [-0.4185, -0.4661, -0.4081], "mean": -0.4309, "spread": 0.0581}, "at": 1788311454}, "tier": 1, "alerts": [], "total_sd": 0.261, "total_ci95": [74.696, 75.722], "relegate_reason": [], "submitted_at": 1788302146, "scored_at": 1788311454, "rank": 155}, {"candidate_id": "ODC-C3ED3A", "res_at": 1787205532, "skeleton": "SKNDWPWVOULRDJ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 75.112, "axes": {"activity": 30.0, "binding": 15.56, "selectivity": 13.11, "admet": 5.36, "novelty": 6.91, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.453, "fraction": 1.0}, "binding": {"pIC50": 7.41, "LE": 0.29, "potency_term": 0.804, "efficiency_cap": 0.967}, "selectivity": {"fold": 42.7, "selectivity_term": 0.815, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.402, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.587, "herg": 0.378, "dili": 0.236}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.453005446665628, "aff_pf": -1.4130973021189372, "aff_hs": 0.21689005568623543, "repeats_pf": {"runs": 3, "values": [-1.3107, -1.3627, -1.5659], "mean": -1.4131, "spread": 0.2552}, "repeats_hs": {"runs": 3, "values": [0.4765, 0.0394, 0.1348], "mean": 0.2169, "spread": 0.4371}, "at": 1787205532}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201832, "scored_at": 1787205532, "alerts": [], "total_sd": 1.561, "total_ci95": [72.385, 78.304], "rank": 156}, {"candidate_id": "ODC-2CB3A4", "res_at": 1787205747, "skeleton": "ZHDRKDMCFUXFGN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 75.106, "axes": {"activity": 29.37, "binding": 19.12, "selectivity": 10.99, "admet": 4.45, "novelty": 7.24, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.362, "fraction": 0.979}, "binding": {"pIC50": 7.93, "LE": 0.294, "potency_term": 0.977, "efficiency_cap": 0.979}, "selectivity": {"fold": 13.4, "selectivity_term": 0.563, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.228, "dili": 0.103}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.3622859817659325, "aff_pf": -1.929724136988322, "aff_hs": -0.8040252526601156, "repeats_pf": {"runs": 3, "values": [-1.8318, -1.8543, -2.1031], "mean": -1.9297, "spread": 0.2713}, "repeats_hs": {"runs": 3, "values": [-0.7909, -0.8755, -0.7456], "mean": -0.804, "spread": 0.1299}, "at": 1787205747}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201839, "scored_at": 1787205747, "alerts": [], "total_sd": 1.61, "total_ci95": [72.681, 78.322], "rank": 157}, {"candidate_id": "ODC-6DCEDA", "res_at": 1788549187, "skeleton": "YKMVETVGPUWGAX", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 75.059, "axes": {"activity": 21.2, "binding": 19.33, "selectivity": 18.96, "admet": 4.85, "novelty": 6.9, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.872, "fraction": 0.707}, "binding": {"pIC50": 7.95, "LE": 0.294, "potency_term": 0.984, "efficiency_cap": 0.982}, "selectivity": {"fold": 84.3, "selectivity_term": 0.963, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.456, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.8, "herg": 0.05, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.872141327955656, "aff_pf": -1.9533540805180867, "aff_hs": -0.027664467692375183, "repeats_pf": {"runs": 3, "values": [-1.8451, -1.9927, -2.0223], "mean": -1.9534, "spread": 0.1773}, "repeats_hs": {"runs": 3, "values": [-0.0333, -0.1424, 0.0927], "mean": -0.0277, "spread": 0.2352}, "at": 1788549187}, "tier": 1, "alerts": [], "total_sd": 1.389, "total_ci95": [71.999, 76.916], "relegate_reason": [], "submitted_at": 1788522746, "scored_at": 1788549187, "rank": 158}, {"candidate_id": "ODC-26BFF7", "res_at": 1786937435, "skeleton": "WIDSEUSLJCBLMW", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 74.999, "axes": {"activity": 30.0, "binding": 17.06, "selectivity": 12.25, "admet": 4.57, "novelty": 6.79, "synthesis": 4.34}, "detail": {"activity": {"pAct_q10": 6.617, "fraction": 1.0}, "binding": {"pIC50": 7.56, "LE": 0.305, "potency_term": 0.853, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.371, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.076, "dili": 0.209}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 6.617258283252869, "aff_pf": -1.559027910232544, "aff_hs": -0.12345025440057118, "repeats_pf": {"runs": 3, "values": [-1.5302, -1.5747, -1.5722], "mean": -1.559, "spread": 0.0446}, "repeats_hs": {"runs": 3, "values": [-0.3278, 0.1952, -0.2377], "mean": -0.1235, "spread": 0.523}, "at": 1786937435}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926495, "scored_at": 1786937435, "alerts": [], "total_sd": 1.145, "total_ci95": [73.209, 77.405], "rank": 159}, {"candidate_id": "ODC-AEAB83", "res_at": 1787635821, "skeleton": "GFYJQAVMARCZBT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-G02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 74.992, "axes": {"activity": 29.76, "binding": 17.41, "selectivity": 12.26, "admet": 4.8, "novelty": 6.87, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.385, "fraction": 0.992}, "binding": {"pIC50": 7.68, "LE": 0.292, "potency_term": 0.894, "efficiency_cap": 0.974}, "selectivity": {"fold": 23.5, "selectivity_term": 0.686, "target_engagement": 0.894}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.473, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.678, "herg": 0.069, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.385461471887677, "aff_pf": -1.6809500058492024, "aff_hs": -0.30947400629520416, "repeats_pf": {"runs": 3, "values": [-1.5861, -1.7345, -1.7222], "mean": -1.681, "spread": 0.1484}, "repeats_hs": {"runs": 3, "values": [0.0045, -0.5146, -0.4183], "mean": -0.3095, "spread": 0.5191}, "at": 1787635821}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635173, "scored_at": 1787635821, "alerts": [], "total_sd": 1.377, "total_ci95": [72.47, 77.678], "rank": 160}, {"candidate_id": "ODC-722084", "res_at": 1788550706, "skeleton": "UEPRKEYCNOUNNN", "hf_user": "1Dmeds", "display_name": "ODC26-S1D04", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 74.933, "axes": {"activity": 19.14, "binding": 20.0, "selectivity": 20.0, "admet": 4.96, "novelty": 6.86, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.749, "fraction": 0.638}, "binding": {"pIC50": 8.13, "LE": 0.309, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 182.7, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.748535549017811, "aff_pf": -2.1276305516560874, "aff_hs": 0.13408312698205313, "repeats_pf": {"runs": 3, "values": [-2.1357, -2.0805, -2.1666], "mean": -2.1276, "spread": 0.0861}, "repeats_hs": {"runs": 3, "values": [0.1417, 0.1354, 0.1251], "mean": 0.1341, "spread": 0.0166}, "at": 1788550706}, "tier": 1, "alerts": [], "total_sd": 0.0, "total_ci95": [74.933, 74.933], "relegate_reason": [], "submitted_at": 1788522787, "scored_at": 1788550706, "rank": 161}, {"candidate_id": "ODC-07834F", "res_at": 1786972431, "skeleton": "ICEZTZKXADAOAS", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 74.93, "axes": {"activity": 24.91, "binding": 20.0, "selectivity": 15.08, "admet": 4.46, "novelty": 6.33, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 6.095, "fraction": 0.83}, "binding": {"pIC50": 8.03, "LE": 0.333, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.2, "selectivity_term": 0.754, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.491, "dili": 0.186}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 6.094801996011662, "aff_pf": -2.0273662408192954, "aff_hs": -0.5197787284851074, "repeats_pf": {"runs": 3, "values": [-2.0019, -2.0338, -2.0464], "mean": -2.0274, "spread": 0.0446}, "repeats_hs": {"runs": 3, "values": [-0.5446, -0.5488, -0.466], "mean": -0.5198, "spread": 0.0828}, "at": 1786972431}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971988, "scored_at": 1786972431, "alerts": [], "total_sd": 0.239, "total_ci95": [74.534, 75.426], "rank": 162}, {"candidate_id": "ODC-B285C0", "res_at": 1787044189, "skeleton": "CSFWYFOIOWECMO", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 74.862, "axes": {"activity": 30.0, "binding": 15.57, "selectivity": 14.41, "admet": 3.64, "novelty": 7.36, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.536, "fraction": 1.0}, "binding": {"pIC50": 7.52, "LE": 0.278, "potency_term": 0.839, "efficiency_cap": 0.928}, "selectivity": {"fold": 52.1, "selectivity_term": 0.858, "target_engagement": 0.839}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.536370582459275, "aff_pf": -1.5170719623565674, "aff_hs": 0.19991536190112433, "repeats_pf": {"runs": 3, "values": [-1.5045, -1.5262, -1.5205], "mean": -1.5171, "spread": 0.0216}, "repeats_hs": {"runs": 3, "values": [0.2599, 0.2631, 0.0767], "mean": 0.1999, "spread": 0.1864}, "at": 1787044189}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038803, "scored_at": 1787044189, "alerts": [], "total_sd": 0.44, "total_ci95": [73.87, 75.547], "rank": 163}, {"candidate_id": "ODC-12FD0B", "res_at": 1787205320, "skeleton": "MMBRTAJNKCFSEM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 74.781, "axes": {"activity": 27.61, "binding": 18.99, "selectivity": 12.27, "admet": 5.0, "novelty": 7.24, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.257, "fraction": 0.92}, "binding": {"pIC50": 7.86, "LE": 0.299, "potency_term": 0.953, "efficiency_cap": 0.997}, "selectivity": {"fold": 19.4, "selectivity_term": 0.644, "target_engagement": 0.953}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.846, "herg": 0.05, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.25677545573546, "aff_pf": -1.8576205968856812, "aff_hs": -0.5690323710441589, "repeats_pf": {"runs": 3, "values": [-1.7479, -1.8669, -1.9581], "mean": -1.8576, "spread": 0.2102}, "repeats_hs": {"runs": 3, "values": [-0.5329, -0.5715, -0.6027], "mean": -0.569, "spread": 0.0698}, "at": 1787205320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201822, "scored_at": 1787205320, "alerts": [], "total_sd": 1.486, "total_ci95": [72.166, 77.548], "rank": 164}, {"candidate_id": "ODC-343842", "res_at": 1787058884, "skeleton": "SNENSKBMOJWDAC", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 74.768, "axes": {"activity": 26.28, "binding": 18.72, "selectivity": 14.89, "admet": 4.17, "novelty": 7.15, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 6.177, "fraction": 0.876}, "binding": {"pIC50": 7.83, "LE": 0.298, "potency_term": 0.942, "efficiency_cap": 0.993}, "selectivity": {"fold": 38.0, "selectivity_term": 0.79, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.236, "novelty": 0.764}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "2", "pAct_q10": 6.1765216467321595, "aff_pf": -1.8273510535558064, "aff_hs": -0.24723151326179504, "repeats_pf": {"runs": 3, "values": [-1.8637, -1.9265, -1.6919], "mean": -1.8274, "spread": 0.2346}, "repeats_hs": {"runs": 3, "values": [-0.2227, -0.3593, -0.1597], "mean": -0.2472, "spread": 0.1996}, "at": 1787058884}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057892, "scored_at": 1787058884, "alerts": [], "total_sd": 1.771, "total_ci95": [71.774, 77.961], "rank": 165}, {"candidate_id": "ODC-118B19", "res_at": 1788083955, "skeleton": "YUSWSVQTSCYZDO", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 74.765, "axes": {"activity": 30.0, "binding": 15.07, "selectivity": 13.9, "admet": 4.32, "novelty": 7.48, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.402, "fraction": 1.0}, "binding": {"pIC50": 7.46, "LE": 0.276, "potency_term": 0.819, "efficiency_cap": 0.92}, "selectivity": {"fold": 49.8, "selectivity_term": 0.849, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.252, "novelty": 0.748}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.401894893025134, "aff_pf": -1.4565134048461914, "aff_hs": 0.24106402198473612, "repeats_pf": {"runs": 3, "values": [-1.3582, -1.5375, -1.4739], "mean": -1.4565, "spread": 0.1793}, "repeats_hs": {"runs": 3, "values": [0.3063, 0.1419, 0.2749], "mean": 0.2411, "spread": 0.1644}, "at": 1788083955}, "tier": 1, "alerts": [], "total_sd": 0.922, "total_ci95": [72.724, 76.555], "relegate_reason": [], "submitted_at": 1788074692, "scored_at": 1788083955, "rank": 166}, {"candidate_id": "ODC-321FE2", "res_at": 1788215748, "skeleton": "WFUJLHRKNGCXGE", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 74.711, "axes": {"activity": 20.6, "binding": 19.51, "selectivity": 19.51, "admet": 4.83, "novelty": 6.42, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.836, "fraction": 0.687}, "binding": {"pIC50": 7.93, "LE": 0.302, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 496.0, "selectivity_term": 1.0, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.174, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.742, "herg": 0.05, "dili": 0.267}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.83596106332862, "aff_pf": -1.9266268014907837, "aff_hs": 0.7688523729642233, "repeats_pf": {"runs": 3, "values": [-1.9003, -1.9184, -1.9612], "mean": -1.9266, "spread": 0.061}, "repeats_hs": {"runs": 3, "values": [0.7806, 0.7952, 0.7308], "mean": 0.7689, "spread": 0.0644}, "at": 1788215748}, "tier": 1, "alerts": [], "total_sd": 0.278, "total_ci95": [74.224, 75.35], "relegate_reason": [], "submitted_at": 1788215004, "scored_at": 1788215748, "rank": 167}, {"candidate_id": "ODC-436D88", "res_at": 1788544548, "skeleton": "VKALPRKRSDJZBY", "hf_user": "1Dmeds", "display_name": "ODC26-S1D03", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 74.695, "axes": {"activity": 30.0, "binding": 16.36, "selectivity": 13.5, "admet": 3.85, "novelty": 7.07, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.477, "fraction": 1.0}, "binding": {"pIC50": 7.66, "LE": 0.276, "potency_term": 0.888, "efficiency_cap": 0.921}, "selectivity": {"fold": 33.1, "selectivity_term": 0.76, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.476, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.476615957890792, "aff_pf": -1.6637524366378784, "aff_hs": -0.14363396167755127, "repeats_pf": {"runs": 3, "values": [-1.8138, -1.5869, -1.5905], "mean": -1.6638, "spread": 0.2269}, "repeats_hs": {"runs": 3, "values": [-0.136, -0.219, -0.076], "mean": -0.1436, "spread": 0.143}, "at": 1788544548}, "tier": 1, "alerts": [], "total_sd": 1.324, "total_ci95": [72.652, 77.017], "relegate_reason": [], "submitted_at": 1788517747, "scored_at": 1788544548, "rank": 168}, {"candidate_id": "ODC-0A24C1", "res_at": 1787038261, "skeleton": "POLAUOASFXXUBZ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 74.683, "axes": {"activity": 26.28, "binding": 16.85, "selectivity": 17.8, "admet": 3.62, "novelty": 6.79, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 6.177, "fraction": 0.876}, "binding": {"pIC50": 7.67, "LE": 0.284, "potency_term": 0.89, "efficiency_cap": 0.947}, "selectivity": {"fold": 140.2, "selectivity_term": 1.0, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.517, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.674, "herg": 0.05, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.225, "novelty": 0.775}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.177079380429947, "aff_pf": -1.6698333422342937, "aff_hs": 0.47681260108947754, "repeats_pf": {"runs": 3, "values": [-1.7346, -1.6873, -1.5877], "mean": -1.6698, "spread": 0.1469}, "repeats_hs": {"runs": 3, "values": [0.4979, 0.6611, 0.2715], "mean": 0.4768, "spread": 0.3896}, "at": 1787038261}, "tier": 1, "relegate_reason": [], "submitted_at": 1787034922, "scored_at": 1787038261, "alerts": [], "total_sd": 0.6, "total_ci95": [73.373, 75.669], "rank": 169}, {"candidate_id": "ODC-AA8D7E", "res_at": 1787724775, "skeleton": "DDQXWWYKBSZOCB", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R6", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 74.677, "axes": {"activity": 27.17, "binding": 18.94, "selectivity": 13.33, "admet": 5.24, "novelty": 6.27, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.23, "fraction": 0.906}, "binding": {"pIC50": 7.84, "LE": 0.43, "potency_term": 0.947, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.947}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.418, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.986, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.793, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.229909042142008, "aff_pf": -1.8415602445602417, "aff_hs": -0.4338463048140208, "repeats_pf": {"runs": 3, "values": [-1.8937, -1.8957, -1.7353], "mean": -1.8416, "spread": 0.1605}, "repeats_hs": {"runs": 3, "values": [-0.1672, -0.6488, -0.4855], "mean": -0.4338, "spread": 0.4817}, "at": 1787724775}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719809, "scored_at": 1787724775, "alerts": [], "total_sd": 1.579, "total_ci95": [71.811, 77.654], "rank": 170}, {"candidate_id": "ODC-3044BB", "res_at": 1786951312, "skeleton": "DKNZAGCMJCEDPI", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 74.652, "axes": {"activity": 28.57, "binding": 16.89, "selectivity": 13.86, "admet": 4.69, "novelty": 6.51, "synthesis": 4.14}, "detail": {"activity": {"pAct_q10": 6.314, "fraction": 0.952}, "binding": {"pIC50": 7.53, "LE": 0.313, "potency_term": 0.844, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.8, "selectivity_term": 0.821, "target_engagement": 0.844}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.388, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.253, "dili": 0.118}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 6.314062278949876, "aff_pf": -1.532772183418274, "aff_hs": 0.10874324540297191, "repeats_pf": {"runs": 3, "values": [-1.504, -1.5809, -1.5134], "mean": -1.5328, "spread": 0.0768}, "repeats_hs": {"runs": 3, "values": [0.4403, 0.0381, -0.1522], "mean": 0.1087, "spread": 0.5925}, "at": 1786951312}, "tier": 1, "relegate_reason": [], "submitted_at": 1786941399, "scored_at": 1786951312, "alerts": [], "total_sd": 1.302, "total_ci95": [72.448, 77.349], "rank": 171}, {"candidate_id": "ODC-28E3DC", "res_at": 1787480734, "skeleton": "OXIOHBVMXPERGH", "hf_user": "Ku-ku", "display_name": "KK-M-0823-41", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 74.567, "axes": {"activity": 29.94, "binding": 18.45, "selectivity": 9.74, "admet": 5.79, "novelty": 6.6, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.396, "fraction": 0.998}, "binding": {"pIC50": 7.77, "LE": 0.426, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.772, "ld50-zhu": 0.472, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.396118166018801, "aff_pf": -1.767371694246928, "aff_hs": -0.7115168968836466, "repeats_pf": {"runs": 3, "values": [-1.7237, -1.8366, -1.7418], "mean": -1.7674, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [-0.7101, -0.5383, -0.8861], "mean": -0.7115, "spread": 0.3478}, "at": 1787480734}, "tier": 1, "relegate_reason": [], "submitted_at": 1787480527, "scored_at": 1787480734, "alerts": [], "total_sd": 0.828, "total_ci95": [73.307, 76.386], "rank": 172}, {"candidate_id": "ODC-98F075", "res_at": 1787574285, "skeleton": "NGDYXEQHSXPQOC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FINAL3-N04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 74.557, "axes": {"activity": 27.81, "binding": 18.24, "selectivity": 14.05, "admet": 4.34, "novelty": 6.4, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.269, "fraction": 0.927}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.925, "efficiency_cap": 0.986}, "selectivity": {"fold": 33.0, "selectivity_term": 0.759, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.673, "herg": 0.113, "dili": 0.189}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.2688258919592394, "aff_pf": -1.774361213048299, "aff_hs": -0.2555856208006541, "repeats_pf": {"runs": 3, "values": [-1.8887, -1.7576, -1.6768], "mean": -1.7744, "spread": 0.2119}, "repeats_hs": {"runs": 3, "values": [-0.0163, -0.2455, -0.5049], "mean": -0.2556, "spread": 0.4886}, "at": 1787574285}, "tier": 1, "relegate_reason": [], "submitted_at": 1787574077, "scored_at": 1787574285, "alerts": [], "total_sd": 1.681, "total_ci95": [71.469, 78.022], "rank": 173}, {"candidate_id": "ODC-A263D5", "res_at": 1788485288, "skeleton": "ZWZHSWZOLQSDQK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-13", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 74.546, "axes": {"activity": 30.0, "binding": 15.95, "selectivity": 13.84, "admet": 3.7, "novelty": 6.84, "synthesis": 4.22}, "detail": {"activity": {"pAct_q10": 6.491, "fraction": 1.0}, "binding": {"pIC50": 7.46, "LE": 0.292, "potency_term": 0.819, "efficiency_cap": 0.973}, "selectivity": {"fold": 48.9, "selectivity_term": 0.845, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.349, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.51, "herg": 0.146, "dili": 0.193}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 6.4909015798598615, "aff_pf": -1.4580799738566081, "aff_hs": 0.23114736378192902, "repeats_pf": {"runs": 3, "values": [-1.4484, -1.4715, -1.4543], "mean": -1.4581, "spread": 0.0231}, "repeats_hs": {"runs": 3, "values": [-0.0651, 0.4566, 0.302], "mean": 0.2311, "spread": 0.5217}, "at": 1788485288}, "tier": 1, "alerts": [], "total_sd": 1.01, "total_ci95": [72.284, 76.306], "relegate_reason": [], "submitted_at": 1788419631, "scored_at": 1788485288, "rank": 174}, {"candidate_id": "ODC-3E8B58", "res_at": 1787649148, "skeleton": "MQYFKJVAKUBHHV", "hf_user": "1Dmeds", "display_name": "ODC26-X3-noYtoF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 74.507, "axes": {"activity": 29.53, "binding": 20.0, "selectivity": 8.92, "admet": 4.81, "novelty": 7.24, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.372, "fraction": 0.984}, "binding": {"pIC50": 8.23, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.26, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.371902827152461, "aff_pf": -2.2315332094828286, "aff_hs": -1.3393347263336182, "repeats_pf": {"runs": 3, "values": [-2.436, -2.113, -2.1457], "mean": -2.2315, "spread": 0.323}, "repeats_hs": {"runs": 3, "values": [-1.2285, -1.4314, -1.3581], "mean": -1.3393, "spread": 0.2029}, "at": 1787649148}, "tier": 1, "relegate_reason": [], "submitted_at": 1787642795, "scored_at": 1787649148, "alerts": [], "total_sd": 0.982, "total_ci95": [72.864, 77.228], "rank": 175}, {"candidate_id": "ODC-6B8872", "res_at": 1787172191, "skeleton": "JNUOIFVKNWEMJY", "hf_user": "1Dmeds", "display_name": "ODC26-FN-03", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 74.48, "axes": {"activity": 21.92, "binding": 18.43, "selectivity": 18.35, "admet": 6.23, "novelty": 5.67, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.915, "fraction": 0.731}, "binding": {"pIC50": 7.76, "LE": 0.443, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 98.0, "selectivity_term": 0.996, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.252, "cyp3a4-substrate-carbonmangels": 0.19, "ld50-zhu": 0.427, "herg": 0.853, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.915457369309851, "aff_pf": -1.7648053566614788, "aff_hs": 0.22655581186215082, "repeats_pf": {"runs": 3, "values": [-1.7341, -1.7331, -1.8272], "mean": -1.7648, "spread": 0.0941}, "repeats_hs": {"runs": 3, "values": [0.1212, 0.2415, 0.317], "mean": 0.2266, "spread": 0.1958}, "at": 1787172191}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171626, "scored_at": 1787172191, "alerts": [], "total_sd": 0.66, "total_ci95": [73.012, 75.747], "rank": 176}, {"candidate_id": "ODC-70341B", "res_at": 1788488394, "skeleton": "ILQCCNALARPJNP", "hf_user": "1Dmeds", "display_name": "ODC26-ODC26-S1G-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 74.471, "axes": {"activity": 28.73, "binding": 15.63, "selectivity": 14.67, "admet": 4.87, "novelty": 6.87, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.324, "fraction": 0.958}, "binding": {"pIC50": 7.47, "LE": 0.284, "potency_term": 0.824, "efficiency_cap": 0.948}, "selectivity": {"fold": 60.1, "selectivity_term": 0.889, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.408, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.417, "herg": 0.387, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.323958754492749, "aff_pf": -1.473362882932027, "aff_hs": 0.30554477373758954, "repeats_pf": {"runs": 3, "values": [-1.4698, -1.4657, -1.4846], "mean": -1.4734, "spread": 0.0189}, "repeats_hs": {"runs": 3, "values": [0.2341, 0.2988, 0.3838], "mean": 0.3055, "spread": 0.1497}, "at": 1788488394}, "tier": 1, "alerts": [], "total_sd": 0.318, "total_ci95": [73.918, 75.116], "relegate_reason": [], "submitted_at": 1788430513, "scored_at": 1788488394, "rank": 177}, {"candidate_id": "ODC-D2BA5C", "res_at": 1788484654, "skeleton": "LOEBQJXOVIYXLB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-12", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 74.458, "axes": {"activity": 19.46, "binding": 20.0, "selectivity": 20.0, "admet": 4.74, "novelty": 6.05, "synthesis": 4.21}, "detail": {"activity": {"pAct_q10": 5.767, "fraction": 0.649}, "binding": {"pIC50": 8.15, "LE": 0.319, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 484.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.381, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.598, "herg": 0.139, "dili": 0.223}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.767350273174382, "aff_pf": -2.148826758066813, "aff_hs": 0.5366979638735453, "repeats_pf": {"runs": 3, "values": [-2.144, -2.0726, -2.2299], "mean": -2.1488, "spread": 0.1573}, "repeats_hs": {"runs": 3, "values": [0.4807, 0.4698, 0.6596], "mean": 0.5367, "spread": 0.1899}, "at": 1788484654}, "tier": 1, "alerts": [], "total_sd": 0.0, "total_ci95": [74.458, 74.458], "relegate_reason": [], "submitted_at": 1788419626, "scored_at": 1788484654, "rank": 178}, {"candidate_id": "ODC-1FED0F", "res_at": 1787055794, "skeleton": "XSFLQCDFDGSSTL", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 74.414, "axes": {"activity": 29.89, "binding": 16.69, "selectivity": 12.01, "admet": 4.55, "novelty": 7.31, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.393, "fraction": 0.996}, "binding": {"pIC50": 7.65, "LE": 0.283, "potency_term": 0.884, "efficiency_cap": 0.944}, "selectivity": {"fold": 22.8, "selectivity_term": 0.679, "target_engagement": 0.884}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.393314911576989, "aff_pf": -1.6509452660878499, "aff_hs": -0.2921868811051051, "repeats_pf": {"runs": 3, "values": [-1.7182, -1.5972, -1.6374], "mean": -1.6509, "spread": 0.1209}, "repeats_hs": {"runs": 3, "values": [-0.1596, -0.413, -0.3039], "mean": -0.2922, "spread": 0.2535}, "at": 1787055794}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055532, "scored_at": 1787055794, "alerts": [], "total_sd": 0.797, "total_ci95": [72.804, 75.885], "rank": 179}, {"candidate_id": "ODC-E12D77", "res_at": 1788543061, "skeleton": "RVFDTLYECMKLRT", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 74.353, "axes": {"activity": 30.0, "binding": 15.72, "selectivity": 12.8, "admet": 4.76, "novelty": 7.14, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.465, "fraction": 1.0}, "binding": {"pIC50": 7.54, "LE": 0.279, "potency_term": 0.845, "efficiency_cap": 0.93}, "selectivity": {"fold": 32.7, "selectivity_term": 0.757, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.269, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.153, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.464519507818821, "aff_pf": -1.5353565613428752, "aff_hs": -0.02075799306233724, "repeats_pf": {"runs": 3, "values": [-1.6046, -1.3732, -1.6283], "mean": -1.5354, "spread": 0.2551}, "repeats_hs": {"runs": 3, "values": [0.1685, -0.3999, 0.1692], "mean": -0.0208, "spread": 0.5691}, "at": 1788543061}, "tier": 1, "alerts": [], "total_sd": 1.936, "total_ci95": [70.982, 77.893], "relegate_reason": [], "submitted_at": 1788517731, "scored_at": 1788543061, "rank": 180}, {"candidate_id": "ODC-4789D7", "res_at": 1788828025, "skeleton": "UOCSMWCVLQEQFV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0908-03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········COCC1", "total": 74.333, "axes": {"activity": 30.0, "binding": 16.44, "selectivity": 11.79, "admet": 4.91, "novelty": 7.3, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.476, "fraction": 1.0}, "binding": {"pIC50": 7.62, "LE": 0.282, "potency_term": 0.874, "efficiency_cap": 0.941}, "selectivity": {"fold": 22.3, "selectivity_term": 0.675, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.066, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.595, "herg": 0.061, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.475998682204503, "aff_pf": -1.620961586634318, "aff_hs": -0.2717874695857366, "repeats_pf": {"runs": 3, "values": [-1.6147, -1.7423, -1.5059], "mean": -1.621, "spread": 0.2364}, "repeats_hs": {"runs": 3, "values": [0.1269, -0.6167, -0.3256], "mean": -0.2718, "spread": 0.7437}, "at": 1788828025}, "tier": 1, "alerts": [], "total_sd": 1.839, "total_ci95": [70.636, 78.297], "relegate_reason": [], "submitted_at": 1788826640, "scored_at": 1788828025, "rank": 181}, {"candidate_id": "ODC-5E713A", "res_at": 1787871686, "skeleton": "ICWQJGOSBBFTEV", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N3", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········)CCC2", "total": 74.235, "axes": {"activity": 26.36, "binding": 17.72, "selectivity": 15.67, "admet": 4.8, "novelty": 6.16, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 6.182, "fraction": 0.879}, "binding": {"pIC50": 7.66, "LE": 0.403, "potency_term": 0.886, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.8, "selectivity_term": 0.885, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.619, "ld50-zhu": 0.523, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.181645032424605, "aff_pf": -1.657456358273824, "aff_hs": 0.11164038876692454, "repeats_pf": {"runs": 3, "values": [-1.6953, -1.6741, -1.603], "mean": -1.6575, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [0.0756, 0.1868, 0.0725], "mean": 0.1116, "spread": 0.1142}, "at": 1787837197}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784238, "scored_at": 1787837197, "alerts": [], "total_sd": 0.679, "total_ci95": [72.962, 75.407], "rank": 182}, {"candidate_id": "ODC-42116A", "res_at": 1789280408, "skeleton": "DRTATFAYMSEIQP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-ArOH-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 74.206, "axes": {"activity": 30.0, "binding": 16.58, "selectivity": 12.21, "admet": 4.25, "novelty": 7.33, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.456, "fraction": 1.0}, "binding": {"pIC50": 7.69, "LE": 0.277, "potency_term": 0.897, "efficiency_cap": 0.924}, "selectivity": {"fold": 22.9, "selectivity_term": 0.68, "target_engagement": 0.897}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.321, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 6.456305593491602, "aff_pf": -1.6909183661142986, "aff_hs": -0.33021630843480426, "repeats_pf": {"runs": 3, "values": [-1.6069, -1.6562, -1.8097], "mean": -1.6909, "spread": 0.2028}, "repeats_hs": {"runs": 3, "values": [-0.3428, -0.3094, -0.3384], "mean": -0.3302, "spread": 0.0333}, "at": 1789280408}, "tier": 1, "alerts": [], "total_sd": 1.009, "total_ci95": [72.415, 75.803], "relegate_reason": [], "submitted_at": 1789279405, "scored_at": 1789280408, "rank": 183}, {"candidate_id": "ODC-004481", "res_at": 1786951120, "skeleton": "XIPKFMFUEMXCFZ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 74.035, "axes": {"activity": 27.61, "binding": 16.58, "selectivity": 15.46, "admet": 4.19, "novelty": 6.35, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.257, "fraction": 0.92}, "binding": {"pIC50": 7.49, "LE": 0.302, "potency_term": 0.829, "efficiency_cap": 1.0}, "selectivity": {"fold": 73.3, "selectivity_term": 0.932, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.506, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.256665972215403, "aff_pf": -1.4866097370783489, "aff_hs": 0.3783321479956309, "repeats_pf": {"runs": 3, "values": [-1.5742, -1.4072, -1.4785], "mean": -1.4866, "spread": 0.1669}, "repeats_hs": {"runs": 3, "values": [0.4219, 0.3979, 0.3152], "mean": 0.3783, "spread": 0.1067}, "at": 1786951120}, "tier": 1, "relegate_reason": [], "submitted_at": 1786941280, "scored_at": 1786951120, "alerts": [], "total_sd": 0.846, "total_ci95": [72.613, 75.984], "rank": 184}, {"candidate_id": "ODC-85DB11", "res_at": 1787722940, "skeleton": "RZXNLMJFEBDGKE", "hf_user": "1Dmeds", "display_name": "ODC26-M30-B5", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 74.02, "axes": {"activity": 25.77, "binding": 18.73, "selectivity": 15.93, "admet": 3.43, "novelty": 6.39, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.146, "fraction": 0.859}, "binding": {"pIC50": 7.81, "LE": 0.315, "potency_term": 0.936, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.3, "selectivity_term": 0.851, "target_engagement": 0.936}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 0.926, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.145922699258848, "aff_pf": -1.8089633385340373, "aff_hs": -0.10764933843165636, "repeats_pf": {"runs": 3, "values": [-1.7997, -1.8381, -1.7891], "mean": -1.809, "spread": 0.049}, "repeats_hs": {"runs": 3, "values": [-0.0091, -0.2427, -0.0712], "mean": -0.1076, "spread": 0.2336}, "at": 1787722940}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719763, "scored_at": 1787722940, "alerts": [], "total_sd": 0.628, "total_ci95": [72.663, 75.188], "rank": 185}, {"candidate_id": "ODC-ECD23C", "res_at": 1787206009, "skeleton": "FITYNJXCJWPYRF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 73.997, "axes": {"activity": 29.65, "binding": 15.51, "selectivity": 12.55, "admet": 5.04, "novelty": 7.29, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.379, "fraction": 0.988}, "binding": {"pIC50": 7.46, "LE": 0.284, "potency_term": 0.82, "efficiency_cap": 0.946}, "selectivity": {"fold": 33.9, "selectivity_term": 0.765, "target_engagement": 0.82}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.597, "herg": 0.226, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.3789047639138206, "aff_pf": -1.4588199456532795, "aff_hs": 0.07185708731412888, "repeats_pf": {"runs": 3, "values": [-1.4121, -1.384, -1.5804], "mean": -1.4588, "spread": 0.1964}, "repeats_hs": {"runs": 3, "values": [-0.0563, 0.0122, 0.2597], "mean": 0.0719, "spread": 0.316}, "at": 1787206009}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201854, "scored_at": 1787206009, "alerts": [], "total_sd": 1.367, "total_ci95": [71.938, 77.016], "rank": 186}, {"candidate_id": "ODC-5056EB", "res_at": 1788416752, "skeleton": "VSSLIZWDRNIWBD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-06", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········(C)C1", "total": 73.968, "axes": {"activity": 30.0, "binding": 14.77, "selectivity": 13.54, "admet": 5.48, "novelty": 7.33, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 6.404, "fraction": 1.0}, "binding": {"pIC50": 7.37, "LE": 0.28, "potency_term": 0.79, "efficiency_cap": 0.935}, "selectivity": {"fold": 51.8, "selectivity_term": 0.857, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.689, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.566, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "3", "pAct_q10": 6.4039216988659025, "aff_pf": -1.3703033526738484, "aff_hs": 0.3440333604812622, "repeats_pf": {"runs": 3, "values": [-1.3718, -1.3951, -1.344], "mean": -1.3703, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [0.4058, 0.3147, 0.3117], "mean": 0.344, "spread": 0.0941}, "at": 1788416752}, "tier": 1, "alerts": [], "total_sd": 0.315, "total_ci95": [73.396, 74.591], "relegate_reason": [], "submitted_at": 1788358201, "scored_at": 1788416752, "rank": 187}, {"candidate_id": "ODC-55E659", "res_at": 1788270744, "skeleton": "OSMDFJYYQIEXQS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV41", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 73.938, "axes": {"activity": 30.0, "binding": 14.37, "selectivity": 14.91, "admet": 4.87, "novelty": 7.18, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 6.572, "fraction": 1.0}, "binding": {"pIC50": 7.27, "LE": 0.285, "potency_term": 0.757, "efficiency_cap": 0.949}, "selectivity": {"fold": 93.1, "selectivity_term": 0.984, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.441, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.933, "herg": 0.149, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "0", "pAct_q10": 6.57205353657858, "aff_pf": -1.2715386946996052, "aff_hs": 0.697282870610555, "repeats_pf": {"runs": 3, "values": [-1.3244, -1.3003, -1.1898], "mean": -1.2715, "spread": 0.1346}, "repeats_hs": {"runs": 3, "values": [0.6116, 0.7406, 0.7397], "mean": 0.6973, "spread": 0.129}, "at": 1788270744}, "tier": 1, "alerts": [], "total_sd": 0.732, "total_ci95": [72.134, 74.967], "relegate_reason": [], "submitted_at": 1788269740, "scored_at": 1788270744, "rank": 188}, {"candidate_id": "ODC-5F9232", "res_at": 1787575026, "skeleton": "IXMBTLZDWJYSHI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-N06-N06", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 73.922, "axes": {"activity": 29.0, "binding": 16.91, "selectivity": 12.72, "admet": 4.37, "novelty": 7.03, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.34, "fraction": 0.967}, "binding": {"pIC50": 7.68, "LE": 0.284, "potency_term": 0.892, "efficiency_cap": 0.948}, "selectivity": {"fold": 26.6, "selectivity_term": 0.713, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.21, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.340241258111634, "aff_pf": -1.677401105562846, "aff_hs": -0.25192516048749286, "repeats_pf": {"runs": 3, "values": [-1.8082, -1.6011, -1.6229], "mean": -1.6774, "spread": 0.2071}, "repeats_hs": {"runs": 3, "values": [-0.1929, -0.2539, -0.309], "mean": -0.2519, "spread": 0.1161}, "at": 1787575026}, "tier": 1, "relegate_reason": [], "submitted_at": 1787574839, "scored_at": 1787575026, "alerts": [], "total_sd": 1.179, "total_ci95": [72.093, 76.706], "rank": 189}, {"candidate_id": "ODC-7D8C7B", "res_at": 1787905299, "skeleton": "UAAYRGHNIVRGIL", "hf_user": "Ku-ku", "display_name": "KK-M-0828-P1", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 73.916, "axes": {"activity": 26.83, "binding": 17.73, "selectivity": 14.06, "admet": 5.7, "novelty": 6.05, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.21, "fraction": 0.894}, "binding": {"pIC50": 7.66, "LE": 0.404, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.6, "selectivity_term": 0.793, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.483, "herg": 0.176, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.2097729963687485, "aff_pf": -1.6602238019307454, "aff_hs": -0.07417047023773193, "repeats_pf": {"runs": 3, "values": [-1.6093, -1.7811, -1.5902], "mean": -1.6602, "spread": 0.1909}, "repeats_hs": {"runs": 3, "values": [0.3081, -0.2697, -0.261], "mean": -0.0742, "spread": 0.5778}, "at": 1787905299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787893466, "scored_at": 1787905299, "alerts": [], "total_sd": 1.949, "total_ci95": [70.987, 78.799], "rank": 190}, {"candidate_id": "ODC-3B6B1E", "res_at": 1786987128, "skeleton": "HAPDDSGLTPQCDO", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 73.864, "axes": {"activity": 22.57, "binding": 20.0, "selectivity": 17.02, "admet": 3.93, "novelty": 6.38, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.954, "fraction": 0.752}, "binding": {"pIC50": 8.01, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.4, "selectivity_term": 0.851, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 0.983, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.165, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.953926840164744, "aff_pf": -2.008160432179769, "aff_hs": -0.305701677997907, "repeats_pf": {"runs": 3, "values": [-2.0041, -1.9885, -2.0318], "mean": -2.0082, "spread": 0.0433}, "repeats_hs": {"runs": 3, "values": [-0.0559, -0.4469, -0.4142], "mean": -0.3057, "spread": 0.391}, "at": 1786987128}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981804, "scored_at": 1786987128, "alerts": [], "total_sd": 1.063, "total_ci95": [72.312, 76.25], "rank": 191}, {"candidate_id": "ODC-2ECCFE", "res_at": 1786871158, "skeleton": "OXJKDCOKJMCNEW", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 73.846, "axes": {"activity": 23.26, "binding": 18.1, "selectivity": 17.35, "admet": 6.52, "novelty": 4.45, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 5.995, "fraction": 0.775}, "binding": {"pIC50": 7.71, "LE": 0.46, "potency_term": 0.905, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.6, "selectivity_term": 0.958, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.237, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.353, "herg": 0.728, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.995418843318468, "aff_pf": -1.71491535504659, "aff_hs": 0.2019404023885727, "repeats_pf": {"runs": 3, "values": [-1.7933, -1.69, -1.6614], "mean": -1.7149, "spread": 0.1319}, "repeats_hs": {"runs": 3, "values": [0.2533, 0.3103, 0.0422], "mean": 0.2019, "spread": 0.2681}, "at": 1786871158}, "tier": 1, "relegate_reason": [], "submitted_at": 1786864670, "scored_at": 1786871158, "alerts": [], "total_sd": 0.988, "total_ci95": [71.75, 75.43], "rank": 192}, {"candidate_id": "ODC-D9820D", "res_at": 1787485714, "skeleton": "KELUXVZBRAPLAP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········CCCC1", "total": 73.833, "axes": {"activity": 28.49, "binding": 19.85, "selectivity": 9.77, "admet": 4.68, "novelty": 7.16, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.309, "fraction": 0.95}, "binding": {"pIC50": 8.04, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.993}, "selectivity": {"fold": 9.5, "selectivity_term": 0.488, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.517, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.257, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.309192776819567, "aff_pf": -2.041997273763021, "aff_hs": -1.065438151359558, "repeats_pf": {"runs": 3, "values": [-2.05, -2.0643, -2.0116], "mean": -2.042, "spread": 0.0527}, "repeats_hs": {"runs": 3, "values": [-0.9744, -1.1749, -1.047], "mean": -1.0654, "spread": 0.2005}, "at": 1787485714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787485324, "scored_at": 1787485714, "alerts": [], "total_sd": 0.493, "total_ci95": [72.854, 74.755], "rank": 193}, {"candidate_id": "ODC-B419CC", "res_at": 1788477990, "skeleton": "DGQPIXOOZQDUNI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R161-02", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 73.825, "axes": {"activity": 18.17, "binding": 20.0, "selectivity": 20.0, "admet": 4.83, "novelty": 6.83, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 5.69, "fraction": 0.606}, "binding": {"pIC50": 8.07, "LE": 0.325, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 130.6, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.444, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.071, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.729, "herg": 0.065, "dili": 0.262}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.690329606467074, "aff_pf": -2.0676211516062417, "aff_hs": 0.048481060191988945, "repeats_pf": {"runs": 3, "values": [-2.0772, -2.062, -2.0636], "mean": -2.0676, "spread": 0.0152}, "repeats_hs": {"runs": 3, "values": [0.0098, -0.1075, 0.2431], "mean": 0.0485, "spread": 0.3506}, "at": 1788477990}, "tier": 1, "alerts": [], "total_sd": 0.087, "total_ci95": [73.421, 73.825], "relegate_reason": [], "submitted_at": 1788414354, "scored_at": 1788477990, "rank": 194}, {"candidate_id": "ODC-0719FD", "res_at": 1787637382, "skeleton": "BTDNRFAOXBZLMP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F09", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 73.819, "axes": {"activity": 30.0, "binding": 14.26, "selectivity": 13.87, "admet": 4.61, "novelty": 7.11, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.611, "fraction": 1.0}, "binding": {"pIC50": 7.26, "LE": 0.284, "potency_term": 0.753, "efficiency_cap": 0.947}, "selectivity": {"fold": 69.5, "selectivity_term": 0.921, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.081, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.611139945258991, "aff_pf": -1.25907564163208, "aff_hs": 0.5831009447574615, "repeats_pf": {"runs": 3, "values": [-1.287, -1.2855, -1.2047], "mean": -1.2591, "spread": 0.0823}, "repeats_hs": {"runs": 3, "values": [0.6915, 0.5591, 0.4987], "mean": 0.5831, "spread": 0.1928}, "at": 1787637382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635227, "scored_at": 1787637382, "alerts": [], "total_sd": 0.57, "total_ci95": [72.742, 74.914], "rank": 195}, {"candidate_id": "ODC-8C695A", "res_at": 1787551643, "skeleton": "KQXAXIDREWRWNB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········l)CC1", "total": 73.703, "axes": {"activity": 27.55, "binding": 19.87, "selectivity": 10.22, "admet": 5.16, "novelty": 6.86, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.253, "fraction": 0.918}, "binding": {"pIC50": 7.98, "LE": 0.304, "potency_term": 0.993, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.7, "selectivity_term": 0.514, "target_engagement": 0.993}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.695, "herg": 0.314, "dili": 0.313}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.252989047910702, "aff_pf": -1.9803791840871174, "aff_hs": -0.9518060684204102, "repeats_pf": {"runs": 3, "values": [-1.9657, -2.0318, -1.9436], "mean": -1.9804, "spread": 0.0882}, "repeats_hs": {"runs": 3, "values": [-1.3827, -0.8988, -0.5739], "mean": -0.9518, "spread": 0.8088}, "at": 1787551643}, "tier": 1, "relegate_reason": [], "submitted_at": 1787527324, "scored_at": 1787551643, "alerts": [], "total_sd": 1.943, "total_ci95": [69.599, 77.654], "rank": 196}, {"candidate_id": "ODC-408ABC", "res_at": 1787204891, "skeleton": "WYAGEITUMBLTRG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 73.648, "axes": {"activity": 30.0, "binding": 15.34, "selectivity": 11.64, "admet": 5.6, "novelty": 6.84, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 6.569, "fraction": 1.0}, "binding": {"pIC50": 7.33, "LE": 0.296, "potency_term": 0.778, "efficiency_cap": 0.985}, "selectivity": {"fold": 31.3, "selectivity_term": 0.748, "target_engagement": 0.778}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.669, "herg": 0.309, "dili": 0.26}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 6.568592717411123, "aff_pf": -1.3349171876907349, "aff_hs": 0.16072909533977509, "repeats_pf": {"runs": 3, "values": [-1.4358, -1.2031, -1.3659], "mean": -1.3349, "spread": 0.2327}, "repeats_hs": {"runs": 3, "values": [0.0452, 0.1343, 0.3027], "mean": 0.1607, "spread": 0.2576}, "at": 1787204891}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201770, "scored_at": 1787204891, "alerts": [], "total_sd": 1.267, "total_ci95": [71.366, 76.026], "rank": 197}, {"candidate_id": "ODC-68E827", "res_at": 1789999184, "skeleton": "PPCOVZJJUPZMRH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-09", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 73.644, "axes": {"activity": 30.0, "binding": 16.48, "selectivity": 11.53, "admet": 4.89, "novelty": 6.63, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 6.639, "fraction": 1.0}, "binding": {"pIC50": 7.52, "LE": 0.294, "potency_term": 0.84, "efficiency_cap": 0.981}, "selectivity": {"fold": 23.6, "selectivity_term": 0.687, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.339, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.248}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 6.638511011670735, "aff_pf": -1.5194185972213745, "aff_hs": -0.14637571573257446, "repeats_pf": {"runs": 3, "values": [-1.612, -1.31, -1.6362], "mean": -1.5194, "spread": 0.3262}, "repeats_hs": {"runs": 3, "values": [-0.3304, 0.1485, -0.2573], "mean": -0.1464, "spread": 0.4788}, "at": 1789999184}, "tier": 1, "alerts": [], "total_sd": 2.058, "total_ci95": [70.051, 77.639], "relegate_reason": [], "submitted_at": 1789991842, "scored_at": 1789999184, "rank": 198}, {"candidate_id": "ODC-D0BA40", "res_at": 1787744855, "skeleton": "KMJINUGEBFWRBX", "hf_user": "Ku-ku", "display_name": "KK-M-0826-B1", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 73.642, "axes": {"activity": 18.22, "binding": 19.13, "selectivity": 16.48, "admet": 10.24, "novelty": 6.23, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 7.87, "LE": 0.469, "potency_term": 0.956, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.9, "selectivity_term": 0.862, "target_engagement": 0.956}, "admet": {"geometric_mean": 0.714, "per_endpoint": {"solubility-aqsoldb": 0.728, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.617, "cyp3a4-substrate-carbonmangels": 0.955, "ld50-zhu": 0.457, "herg": 0.29, "dili": 0.661}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.692926471570138, "aff_pf": -1.8691706657409668, "aff_hs": -0.14557248602310816, "repeats_pf": {"runs": 3, "values": [-1.8925, -1.8706, -1.8444], "mean": -1.8692, "spread": 0.048}, "repeats_hs": {"runs": 3, "values": [-0.204, -0.1031, -0.1296], "mean": -0.1456, "spread": 0.1009}, "at": 1787744855}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.388, "total_ci95": [72.874, 74.429], "relegate_reason": [], "submitted_at": 1787744671, "scored_at": 1787744855, "rank": 199}, {"candidate_id": "ODC-AE8861", "res_at": 1787071101, "skeleton": "BSXHTLNHKFCTAK", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 73.599, "axes": {"activity": 29.32, "binding": 16.42, "selectivity": 13.19, "admet": 3.91, "novelty": 6.82, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.359, "fraction": 0.977}, "binding": {"pIC50": 7.51, "LE": 0.294, "potency_term": 0.838, "efficiency_cap": 0.98}, "selectivity": {"fold": 37.6, "selectivity_term": 0.787, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.23, "hia-hou": 1.0, "bioavailability-ma": 0.603, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.103, "dili": 0.124}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.359367828812498, "aff_pf": -1.512987494468689, "aff_hs": 0.06175043682257334, "repeats_pf": {"runs": 3, "values": [-1.5623, -1.4886, -1.4881], "mean": -1.513, "spread": 0.0741}, "repeats_hs": {"runs": 3, "values": [0.1947, -0.2276, 0.2182], "mean": 0.0618, "spread": 0.4459}, "at": 1787071101}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065611, "scored_at": 1787071101, "alerts": [], "total_sd": 1.059, "total_ci95": [71.813, 75.478], "rank": 200}, {"candidate_id": "ODC-3D8CD4", "res_at": 1787885403, "skeleton": "BRHKIUBTPZVAJK", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L16", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 73.538, "axes": {"activity": 26.37, "binding": 19.65, "selectivity": 12.8, "admet": 5.1, "novelty": 6.55, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 6.182, "fraction": 0.879}, "binding": {"pIC50": 7.95, "LE": 0.419, "potency_term": 0.982, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.982}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.368, "ld50-zhu": 0.535, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 6.182397129437605, "aff_pf": -1.947371522585551, "aff_hs": -0.6446681022644043, "repeats_pf": {"runs": 3, "values": [-1.8616, -1.9171, -2.0634], "mean": -1.9474, "spread": 0.2018}, "repeats_hs": {"runs": 3, "values": [-0.6796, -0.6562, -0.5981], "mean": -0.6447, "spread": 0.0815}, "at": 1787885403}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822360, "scored_at": 1787885403, "alerts": [], "rank": 201}, {"candidate_id": "ODC-981B23", "res_at": 1787724311, "skeleton": "OUHOWZVSGUGGNY", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R4", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 73.484, "axes": {"activity": 24.67, "binding": 20.0, "selectivity": 12.53, "admet": 5.67, "novelty": 6.62, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.08, "fraction": 0.822}, "binding": {"pIC50": 8.07, "LE": 0.442, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.9, "selectivity_term": 0.626, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.699, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.569, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.0799108230478724, "aff_pf": -2.066865881284078, "aff_hs": -0.814214805761973, "repeats_pf": {"runs": 3, "values": [-2.0933, -2.165, -1.9423], "mean": -2.0669, "spread": 0.2227}, "repeats_hs": {"runs": 3, "values": [-0.3765, -0.9989, -1.0672], "mean": -0.8142, "spread": 0.6907}, "at": 1787724311}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719793, "scored_at": 1787724311, "alerts": [], "rank": 202}, {"candidate_id": "ODC-5A9AFF", "res_at": 1788192565, "skeleton": "SIOMMEMTUVTSND", "hf_user": "Ku-ku", "display_name": "KK-M-0831-609", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 73.468, "axes": {"activity": 14.57, "binding": 19.88, "selectivity": 18.63, "admet": 10.33, "novelty": 6.41, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 7.98, "LE": 0.475, "potency_term": 0.994, "efficiency_cap": 1.0}, "selectivity": {"fold": 74.8, "selectivity_term": 0.937, "target_engagement": 0.994}, "admet": {"geometric_mean": 0.693, "per_endpoint": {"solubility-aqsoldb": 0.617, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 0.897, "ld50-zhu": 0.453, "herg": 0.319, "dili": 0.681}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "0", "pAct_q10": 5.474118935865647, "aff_pf": -1.9824095169703166, "aff_hs": -0.108757679661115, "repeats_pf": {"runs": 3, "values": [-1.9524, -1.9917, -2.0032], "mean": -1.9824, "spread": 0.0508}, "repeats_hs": {"runs": 3, "values": [-0.0623, -0.1592, -0.1047], "mean": -0.1088, "spread": 0.0969}, "at": 1788192565}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.463, "total_ci95": [72.58, 74.296], "relegate_reason": [], "submitted_at": 1788187200, "scored_at": 1788192565, "rank": 203}, {"candidate_id": "ODC-B15209", "res_at": 1789034765, "skeleton": "WUPCNNZZODTVKP", "hf_user": "Ku-ku", "display_name": "KK-M-0910-263", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 73.462, "axes": {"activity": 30.0, "binding": 17.79, "selectivity": 9.68, "admet": 5.5, "novelty": 7.04, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.457, "fraction": 1.0}, "binding": {"pIC50": 7.67, "LE": 0.375, "potency_term": 0.889, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.544, "target_engagement": 0.889}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.113, "cyp3a4-substrate-carbonmangels": 0.269, "ld50-zhu": 0.745, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 6.457120220742003, "aff_pf": -1.6681358019510906, "aff_hs": -0.5795756181081136, "repeats_pf": {"runs": 3, "values": [-1.6625, -1.6992, -1.6427], "mean": -1.6681, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [-0.5382, -0.5823, -0.6182], "mean": -0.5796, "spread": 0.0799}, "at": 1789034765}, "tier": 1, "alerts": [], "total_sd": 0.327, "total_ci95": [72.867, 74.067], "relegate_reason": [], "submitted_at": 1789033231, "scored_at": 1789034765, "rank": 204}, {"candidate_id": "ODC-556284", "res_at": 1787636020, "skeleton": "DTDAQAUINJXPAA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-G03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 73.441, "axes": {"activity": 30.0, "binding": 17.25, "selectivity": 10.51, "admet": 4.91, "novelty": 6.82, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.5, "fraction": 1.0}, "binding": {"pIC50": 7.61, "LE": 0.298, "potency_term": 0.869, "efficiency_cap": 0.993}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.719, "herg": 0.051, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.499866266252183, "aff_pf": -1.6069916884104412, "aff_hs": -0.39769019434849423, "repeats_pf": {"runs": 3, "values": [-1.6166, -1.5381, -1.6663], "mean": -1.607, "spread": 0.1282}, "repeats_hs": {"runs": 3, "values": [-0.0633, -0.6743, -0.4555], "mean": -0.3977, "spread": 0.611}, "at": 1787636020}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635181, "scored_at": 1787636020, "alerts": [], "rank": 205}, {"candidate_id": "ODC-B7A150", "res_at": 1788417333, "skeleton": "JMPFBDQOODPKNE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-10", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1CCCC··········2F)C1", "total": 73.41, "axes": {"activity": 28.79, "binding": 15.66, "selectivity": 14.86, "admet": 4.45, "novelty": 6.95, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 6.328, "fraction": 0.96}, "binding": {"pIC50": 7.53, "LE": 0.279, "potency_term": 0.843, "efficiency_cap": 0.929}, "selectivity": {"fold": 58.0, "selectivity_term": 0.882, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.847, "herg": 0.301, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 4.03}}, "run": {"gpu": "0", "pAct_q10": 6.327626009538633, "aff_pf": -1.5275328556696575, "aff_hs": 0.2361746927102407, "repeats_pf": {"runs": 3, "values": [-1.4042, -1.4682, -1.7102], "mean": -1.5275, "spread": 0.306}, "repeats_hs": {"runs": 3, "values": [0.3246, -0.0487, 0.4326], "mean": 0.2362, "spread": 0.4813}, "at": 1788417333}, "tier": 1, "alerts": [], "total_sd": 2.115, "total_ci95": [69.853, 78.158], "relegate_reason": [], "submitted_at": 1788358221, "scored_at": 1788417333, "rank": 206}, {"candidate_id": "ODC-907113", "res_at": 1788215450, "skeleton": "KEZFMOFHTTXFSF", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 73.392, "axes": {"activity": 17.91, "binding": 20.0, "selectivity": 20.0, "admet": 5.29, "novelty": 6.54, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.674, "fraction": 0.597}, "binding": {"pIC50": 8.18, "LE": 0.311, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 497.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.458, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.828, "herg": 0.05, "dili": 0.183}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 5.674406411092316, "aff_pf": -2.175314505894979, "aff_hs": 0.5214321712652842, "repeats_pf": {"runs": 3, "values": [-2.2094, -2.172, -2.1446], "mean": -2.1753, "spread": 0.0648}, "repeats_hs": {"runs": 3, "values": [0.5068, 0.6086, 0.4489], "mean": 0.5214, "spread": 0.1596}, "at": 1788215450}, "tier": 1, "alerts": [], "total_sd": 0.0, "total_ci95": [73.392, 73.392], "relegate_reason": [], "submitted_at": 1788214992, "scored_at": 1788215450, "rank": 207}, {"candidate_id": "ODC-561BBA", "res_at": 1787038452, "skeleton": "HXWHKAKDHQIJKX", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 73.387, "axes": {"activity": 28.11, "binding": 15.37, "selectivity": 15.11, "admet": 4.08, "novelty": 7.08, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.286, "fraction": 0.937}, "binding": {"pIC50": 7.49, "LE": 0.277, "potency_term": 0.831, "efficiency_cap": 0.925}, "selectivity": {"fold": 65.9, "selectivity_term": 0.909, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.119, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.286415541459518, "aff_pf": -1.4928870995839436, "aff_hs": 0.3258323570092519, "repeats_pf": {"runs": 3, "values": [-1.5218, -1.5435, -1.4133], "mean": -1.4929, "spread": 0.1302}, "repeats_hs": {"runs": 3, "values": [0.2507, 0.1922, 0.5346], "mean": 0.3258, "spread": 0.3424}, "at": 1787038452}, "tier": 1, "relegate_reason": [], "submitted_at": 1787034926, "scored_at": 1787038452, "alerts": [], "rank": 208}, {"candidate_id": "ODC-1038BE", "res_at": 1788565575, "skeleton": "GJDUKKOSKYAANH", "hf_user": "1Dmeds", "display_name": "ODC26-S1D06", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 73.359, "axes": {"activity": 28.12, "binding": 16.53, "selectivity": 13.8, "admet": 4.45, "novelty": 6.82, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.287, "fraction": 0.937}, "binding": {"pIC50": 7.58, "LE": 0.288, "potency_term": 0.86, "efficiency_cap": 0.961}, "selectivity": {"fold": 40.3, "selectivity_term": 0.803, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.152, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.286908456804029, "aff_pf": -1.5791195631027222, "aff_hs": 0.026273608207702637, "repeats_pf": {"runs": 3, "values": [-1.6723, -1.6522, -1.4129], "mean": -1.5791, "spread": 0.2594}, "repeats_hs": {"runs": 3, "values": [0.1288, -0.3459, 0.2959], "mean": 0.0263, "spread": 0.6419}, "at": 1788565575}, "tier": 1, "alerts": [], "total_sd": 2.042, "total_ci95": [69.806, 77.241], "relegate_reason": [], "submitted_at": 1788524474, "scored_at": 1788565575, "rank": 209}, {"candidate_id": "ODC-9B28F6", "res_at": 1788949568, "skeleton": "DQSUSPVSXLLZHX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········=CCC1", "total": 73.354, "axes": {"activity": 30.0, "binding": 15.09, "selectivity": 14.88, "admet": 3.11, "novelty": 7.14, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 6.434, "fraction": 1.0}, "binding": {"pIC50": 7.41, "LE": 0.282, "potency_term": 0.803, "efficiency_cap": 0.94}, "selectivity": {"fold": 71.4, "selectivity_term": 0.927, "target_engagement": 0.803}, "admet": {"geometric_mean": 0.208, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 0.947, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.456, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "0", "pAct_q10": 6.43387562830223, "aff_pf": -1.4086603720982869, "aff_hs": 0.4452064236005147, "repeats_pf": {"runs": 3, "values": [-1.4739, -1.3675, -1.3846], "mean": -1.4087, "spread": 0.1064}, "repeats_hs": {"runs": 3, "values": [0.4569, 0.4398, 0.4389], "mean": 0.4452, "spread": 0.0179}, "at": 1788949568}, "tier": 1, "alerts": [], "total_sd": 0.616, "total_ci95": [72.479, 74.793], "relegate_reason": [], "submitted_at": 1788947618, "scored_at": 1788949568, "rank": 210}, {"candidate_id": "ODC-4720D8", "res_at": 1786988782, "skeleton": "LDKMCIYCSTUEQR", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········)CCC1", "total": 73.333, "axes": {"activity": 18.68, "binding": 20.0, "selectivity": 20.0, "admet": 4.57, "novelty": 5.66, "synthesis": 4.43}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 8.14, "LE": 0.328, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 558.1, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.720792795585257, "aff_pf": -2.137793938318888, "aff_hs": 0.6089135011037191, "repeats_pf": {"runs": 3, "values": [-2.1315, -2.081, -2.2009], "mean": -2.1378, "spread": 0.1198}, "repeats_hs": {"runs": 3, "values": [0.6669, 0.6435, 0.5164], "mean": 0.6089, "spread": 0.1505}, "at": 1786988782}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984688, "scored_at": 1786988782, "alerts": [], "rank": 211}, {"candidate_id": "ODC-7514B9", "res_at": 1787648744, "skeleton": "VMAPPPRRZVSSIC", "hf_user": "1Dmeds", "display_name": "ODC26-W3-R5CF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 73.318, "axes": {"activity": 25.23, "binding": 18.66, "selectivity": 15.39, "admet": 3.63, "novelty": 6.69, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 6.114, "fraction": 0.841}, "binding": {"pIC50": 7.8, "LE": 0.314, "potency_term": 0.933, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.7, "selectivity_term": 0.825, "target_engagement": 0.933}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.22, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.113682982148006, "aff_pf": -1.7984630664189656, "aff_hs": -0.14811733861764273, "repeats_pf": {"runs": 3, "values": [-1.8457, -1.7158, -1.8339], "mean": -1.7985, "spread": 0.1299}, "repeats_hs": {"runs": 3, "values": [0.1383, -0.3342, -0.2484], "mean": -0.1481, "spread": 0.4725}, "at": 1787648744}, "tier": 1, "relegate_reason": [], "submitted_at": 1787642049, "scored_at": 1787648744, "alerts": [], "rank": 212}, {"candidate_id": "ODC-717456", "res_at": 1787663277, "skeleton": "VDYWMVOWAJFCMF", "hf_user": "1Dmeds", "display_name": "ODC26-R2-01-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········l)CC1", "total": 73.284, "axes": {"activity": 27.67, "binding": 15.2, "selectivity": 15.46, "admet": 4.91, "novelty": 6.3, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.26, "fraction": 0.922}, "binding": {"pIC50": 7.32, "LE": 0.295, "potency_term": 0.773, "efficiency_cap": 0.983}, "selectivity": {"fold": 137.5, "selectivity_term": 1.0, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.137, "dili": 0.337}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.260144042883943, "aff_pf": -1.3191535472869873, "aff_hs": 0.8192526896794637, "repeats_pf": {"runs": 3, "values": [-1.4067, -1.4179, -1.1328], "mean": -1.3192, "spread": 0.2852}, "repeats_hs": {"runs": 3, "values": [0.6714, 0.872, 0.9143], "mean": 0.8193, "spread": 0.2429}, "at": 1787663277}, "tier": 1, "relegate_reason": [], "submitted_at": 1787663076, "scored_at": 1787663277, "alerts": [], "rank": 213}, {"candidate_id": "ODC-59FFBC", "res_at": 1788359068, "skeleton": "LNYRORVYNJJTTE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········(C)C1", "total": 73.282, "axes": {"activity": 29.99, "binding": 13.34, "selectivity": 14.32, "admet": 5.33, "novelty": 7.42, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 6.4, "fraction": 1.0}, "binding": {"pIC50": 7.29, "LE": 0.263, "potency_term": 0.762, "efficiency_cap": 0.875}, "selectivity": {"fold": 75.9, "selectivity_term": 0.94, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.555, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.651, "herg": 0.518, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.98}}, "run": {"gpu": "0", "pAct_q10": 6.399522549557274, "aff_pf": -1.285155971844991, "aff_hs": 0.5949774285157522, "repeats_pf": {"runs": 3, "values": [-1.1425, -1.4948, -1.2182], "mean": -1.2852, "spread": 0.3523}, "repeats_hs": {"runs": 3, "values": [0.7202, 0.3837, 0.681], "mean": 0.595, "spread": 0.3365}, "at": 1788359068}, "tier": 1, "alerts": [], "total_sd": 1.89, "total_ci95": [69.998, 77.236], "relegate_reason": [], "submitted_at": 1788358194, "scored_at": 1788359068, "rank": 214}, {"candidate_id": "ODC-C1AF4C", "res_at": 1788478585, "skeleton": "OOVCWRNNZJIJCG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R161-03", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 73.243, "axes": {"activity": 19.33, "binding": 20.0, "selectivity": 18.76, "admet": 4.87, "novelty": 6.0, "synthesis": 4.28}, "detail": {"activity": {"pAct_q10": 5.76, "fraction": 0.644}, "binding": {"pIC50": 8.01, "LE": 0.332, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 75.1, "selectivity_term": 0.938, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.355, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.097, "dili": 0.366}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.760056322558084, "aff_pf": -2.0055064757665, "aff_hs": -0.12976072231928507, "repeats_pf": {"runs": 3, "values": [-1.9912, -2.0459, -1.9794], "mean": -2.0055, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [0.3088, -0.7767, 0.0786], "mean": -0.1298, "spread": 1.0855}, "at": 1788478585}, "tier": 1, "alerts": [], "total_sd": 1.948, "total_ci95": [67.178, 74.486], "relegate_reason": [], "submitted_at": 1788414372, "scored_at": 1788478585, "rank": 215}, {"candidate_id": "ODC-597143", "res_at": 1788542323, "skeleton": "VWDLKRJLLYPGPP", "hf_user": "Ku-ku", "display_name": "KK-M-0904-188", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 73.229, "axes": {"activity": 29.42, "binding": 14.7, "selectivity": 13.45, "admet": 4.89, "novelty": 6.63, "synthesis": 4.14}, "detail": {"activity": {"pAct_q10": 6.365, "fraction": 0.981}, "binding": {"pIC50": 7.2, "LE": 0.353, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.7, "selectivity_term": 0.915, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.458, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.212, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.435, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 6.36497512240121, "aff_pf": -1.2049681345621746, "aff_hs": 0.6255826552708944, "repeats_pf": {"runs": 3, "values": [-1.2217, -1.1756, -1.2176], "mean": -1.205, "spread": 0.0461}, "repeats_hs": {"runs": 3, "values": [0.6689, 0.5975, 0.6103], "mean": 0.6256, "spread": 0.0714}, "at": 1788542323}, "tier": 1, "alerts": [], "total_sd": 0.266, "total_ci95": [72.743, 73.687], "relegate_reason": [], "submitted_at": 1788502606, "scored_at": 1788542323, "rank": 216}, {"candidate_id": "ODC-C2264C", "res_at": 1788482853, "skeleton": "NKYFCSZMMVXWEX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-08", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 73.219, "axes": {"activity": 17.81, "binding": 20.0, "selectivity": 20.0, "admet": 4.6, "novelty": 6.87, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.669, "fraction": 0.594}, "binding": {"pIC50": 8.1, "LE": 0.308, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 321.3, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.429, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.721, "herg": 0.05, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.668836477317916, "aff_pf": -2.103455384572347, "aff_hs": 0.40342362721761066, "repeats_pf": {"runs": 3, "values": [-2.1, -2.046, -2.1644], "mean": -2.1035, "spread": 0.1183}, "repeats_hs": {"runs": 3, "values": [0.5092, 0.2862, 0.4149], "mean": 0.4034, "spread": 0.223}, "at": 1788482853}, "tier": 1, "alerts": [], "total_sd": 0.0, "total_ci95": [73.219, 73.219], "relegate_reason": [], "submitted_at": 1788419615, "scored_at": 1788482853, "rank": 217}, {"candidate_id": "ODC-2F948B", "res_at": 1786989195, "skeleton": "KHPCEPKUGWZLPH", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCC··········)CCC1", "total": 73.206, "axes": {"activity": 18.46, "binding": 20.0, "selectivity": 20.0, "admet": 4.64, "novelty": 5.71, "synthesis": 4.39}, "detail": {"activity": {"pAct_q10": 5.708, "fraction": 0.615}, "binding": {"pIC50": 8.02, "LE": 0.323, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 207.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.742, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.707687680838869, "aff_pf": -2.018617630004883, "aff_hs": 0.2990868588288625, "repeats_pf": {"runs": 3, "values": [-2.0388, -2.0453, -1.9717], "mean": -2.0186, "spread": 0.0736}, "repeats_hs": {"runs": 3, "values": [0.2752, 0.301, 0.321], "mean": 0.2991, "spread": 0.0458}, "at": 1786989195}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984597, "scored_at": 1786989195, "alerts": [], "rank": 218}, {"candidate_id": "ODC-592AC1", "res_at": 1787877189, "skeleton": "QAZAPBPYFIHHJB", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L01", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 73.183, "axes": {"activity": 22.73, "binding": 18.09, "selectivity": 17.61, "admet": 4.91, "novelty": 6.19, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.964, "fraction": 0.758}, "binding": {"pIC50": 7.71, "LE": 0.406, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 88.7, "selectivity_term": 0.974, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.831, "ld50-zhu": 0.457, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.96382155798943, "aff_pf": -1.7128002643585205, "aff_hs": 0.23495479921499887, "repeats_pf": {"runs": 3, "values": [-1.8803, -1.6492, -1.6089], "mean": -1.7128, "spread": 0.2713}, "repeats_hs": {"runs": 3, "values": [0.3135, 0.2376, 0.1537], "mean": 0.235, "spread": 0.1598}, "at": 1787877189}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822298, "scored_at": 1787877189, "alerts": [], "rank": 219}, {"candidate_id": "ODC-08E182", "res_at": 1787733880, "skeleton": "YLLDIFSWLNWREC", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5Et-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 73.068, "axes": {"activity": 27.01, "binding": 16.61, "selectivity": 15.47, "admet": 4.07, "novelty": 6.11, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.221, "fraction": 0.9}, "binding": {"pIC50": 7.49, "LE": 0.302, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.9, "selectivity_term": 0.931, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.461, "hia-hou": 1.0, "bioavailability-ma": 0.947, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.304, "dili": 0.19}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 6.220548892584208, "aff_pf": -1.4920167922973633, "aff_hs": 0.37089551985263824, "repeats_pf": {"runs": 3, "values": [-1.4789, -1.541, -1.4561], "mean": -1.492, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [0.0738, 0.4306, 0.6083], "mean": 0.3709, "spread": 0.5345}, "at": 1787733880}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728420, "scored_at": 1787733880, "alerts": [], "rank": 220}, {"candidate_id": "ODC-8EEA21", "res_at": 1788003619, "skeleton": "PZRCGUCCLRWJET", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R151-04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 73.031, "axes": {"activity": 30.0, "binding": 17.33, "selectivity": 9.02, "admet": 5.62, "novelty": 7.14, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 6.425, "fraction": 1.0}, "binding": {"pIC50": 7.62, "LE": 0.298, "potency_term": 0.872, "efficiency_cap": 0.994}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.872}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.517, "caco2-wang": 0.305, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.06, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.632, "herg": 0.199, "dili": 0.318}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.425172526793344, "aff_pf": -1.6164038976033528, "aff_hs": -0.5827260812123617, "repeats_pf": {"runs": 3, "values": [-1.6221, -1.6328, -1.5943], "mean": -1.6164, "spread": 0.0385}, "repeats_hs": {"runs": 3, "values": [-0.5049, -0.8162, -0.4271], "mean": -0.5827, "spread": 0.3892}, "at": 1788003619}, "tier": 1, "alerts": [], "total_sd": 0.798, "total_ci95": [71.635, 74.511], "relegate_reason": [], "submitted_at": 1787989081, "scored_at": 1788003619, "rank": 221}, {"candidate_id": "ODC-4978CC", "res_at": 1788920330, "skeleton": "MBGKAAGOZJFUMW", "hf_user": "Ku-ku", "display_name": "KK-M-0909-103", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········)CCC2", "total": 73.008, "axes": {"activity": 23.94, "binding": 18.64, "selectivity": 15.29, "admet": 4.69, "novelty": 6.92, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.036, "fraction": 0.798}, "binding": {"pIC50": 7.8, "LE": 0.396, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.7, "selectivity_term": 0.82, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.318, "ld50-zhu": 0.493, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 6.036332807117064, "aff_pf": -1.795393943786621, "aff_hs": -0.15472672382990518, "repeats_pf": {"runs": 3, "values": [-1.7566, -1.7684, -1.8612], "mean": -1.7954, "spread": 0.1046}, "repeats_hs": {"runs": 3, "values": [0.0082, -0.39, -0.0824], "mean": -0.1547, "spread": 0.3982}, "at": 1788920330}, "tier": 1, "alerts": [], "total_sd": 1.155, "total_ci95": [70.854, 75.486], "relegate_reason": [], "submitted_at": 1788905808, "scored_at": 1788920330, "rank": 222}, {"candidate_id": "ODC-24C789", "res_at": 1786947551, "skeleton": "CYRCFVQJOIBFKG", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 72.98, "axes": {"activity": 26.16, "binding": 17.83, "selectivity": 15.7, "admet": 3.46, "novelty": 6.22, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.169, "fraction": 0.872}, "binding": {"pIC50": 7.67, "LE": 0.3, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.7, "selectivity_term": 0.88, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.4, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.779, "herg": 0.141, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 6.169352031036083, "aff_pf": -1.674808422724406, "aff_hs": 0.08604717254638672, "repeats_pf": {"runs": 3, "values": [-1.6665, -1.7632, -1.5947], "mean": -1.6748, "spread": 0.1685}, "repeats_hs": {"runs": 3, "values": [0.2911, -0.1003, 0.0674], "mean": 0.086, "spread": 0.3914}, "at": 1786947551}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937226, "scored_at": 1786947551, "alerts": [], "rank": 223}, {"candidate_id": "ODC-5D5A7A", "res_at": 1786987905, "skeleton": "KABIPZMRAHFVOP", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 72.937, "axes": {"activity": 22.45, "binding": 19.96, "selectivity": 16.19, "admet": 3.97, "novelty": 6.41, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 8.09, "LE": 0.299, "potency_term": 1.0, "efficiency_cap": 0.998}, "selectivity": {"fold": 41.6, "selectivity_term": 0.81, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 0.941, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.312, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "2", "pAct_q10": 5.946818078969278, "aff_pf": -2.087345918019613, "aff_hs": -0.4680379827817281, "repeats_pf": {"runs": 3, "values": [-2.1073, -2.1191, -2.0357], "mean": -2.0873, "spread": 0.0834}, "repeats_hs": {"runs": 3, "values": [-0.1635, -0.6814, -0.5592], "mean": -0.468, "spread": 0.5179}, "at": 1786987905}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981713, "scored_at": 1786987905, "alerts": [], "rank": 224}, {"candidate_id": "ODC-C5EBF0", "res_at": 1787663672, "skeleton": "LYKLYOVBZWACCC", "hf_user": "1Dmeds", "display_name": "ODC26-YCl-propyl-C3", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········l)CC1", "total": 72.896, "axes": {"activity": 28.65, "binding": 15.46, "selectivity": 13.46, "admet": 5.02, "novelty": 6.45, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.319, "fraction": 0.955}, "binding": {"pIC50": 7.32, "LE": 0.304, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.1, "selectivity_term": 0.871, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.467, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.143, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.604, "herg": 0.112, "dili": 0.295}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.318897016672717, "aff_pf": -1.3182637294133503, "aff_hs": 0.4231274624665578, "repeats_pf": {"runs": 3, "values": [-1.3112, -1.2962, -1.3473], "mean": -1.3183, "spread": 0.0511}, "repeats_hs": {"runs": 3, "values": [0.2813, 0.3515, 0.6366], "mean": 0.4231, "spread": 0.3553}, "at": 1787663672}, "tier": 1, "relegate_reason": [], "submitted_at": 1787663092, "scored_at": 1787663672, "alerts": [], "rank": 225}, {"candidate_id": "ODC-12C866", "res_at": 1788190882, "skeleton": "YLGMJEXVWDCCAW", "hf_user": "Ku-ku", "display_name": "KK-M-0831-746", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 72.861, "axes": {"activity": 30.0, "binding": 13.97, "selectivity": 13.97, "admet": 4.84, "novelty": 6.84, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 6.421, "fraction": 1.0}, "binding": {"pIC50": 7.1, "LE": 0.335, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 109.2, "selectivity_term": 1.0, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.788, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.329, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.74}}, "run": {"gpu": "0", "pAct_q10": 6.421129468766335, "aff_pf": -1.096144437789917, "aff_hs": 0.9421892960866293, "repeats_pf": {"runs": 3, "values": [-1.1129, -1.0705, -1.1051], "mean": -1.0961, "spread": 0.0424}, "repeats_hs": {"runs": 3, "values": [0.8981, 1.0215, 0.907], "mean": 0.9422, "spread": 0.1234}, "at": 1788190882}, "tier": 1, "alerts": [], "total_sd": 0.15, "total_ci95": [72.519, 73.05], "relegate_reason": [], "submitted_at": 1788186846, "scored_at": 1788190882, "rank": 226}, {"candidate_id": "ODC-5ED09E", "res_at": 1788569804, "skeleton": "RCFUNAAATMOPGR", "hf_user": "1Dmeds", "display_name": "ODC26-S1D25", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 72.816, "axes": {"activity": 27.78, "binding": 17.14, "selectivity": 12.87, "admet": 4.87, "novelty": 6.73, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.267, "fraction": 0.926}, "binding": {"pIC50": 7.59, "LE": 0.297, "potency_term": 0.865, "efficiency_cap": 0.991}, "selectivity": {"fold": 30.8, "selectivity_term": 0.744, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.636, "herg": 0.08, "dili": 0.262}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 6.266876475581949, "aff_pf": -1.5946852763493855, "aff_hs": -0.10652684917052586, "repeats_pf": {"runs": 3, "values": [-1.7032, -1.5747, -1.5061], "mean": -1.5947, "spread": 0.1971}, "repeats_hs": {"runs": 3, "values": [-0.1344, -0.1584, -0.0268], "mean": -0.1065, "spread": 0.1316}, "at": 1788569804}, "tier": 1, "alerts": [], "total_sd": 1.086, "total_ci95": [70.988, 75.141], "relegate_reason": [], "submitted_at": 1788555529, "scored_at": 1788569804, "rank": 227}, {"candidate_id": "ODC-AE6493", "res_at": 1787197964, "skeleton": "YFICLYKQOPCJSH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 72.745, "axes": {"activity": 30.0, "binding": 14.63, "selectivity": 12.02, "admet": 5.09, "novelty": 6.84, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.588, "fraction": 1.0}, "binding": {"pIC50": 7.25, "LE": 0.292, "potency_term": 0.751, "efficiency_cap": 0.974}, "selectivity": {"fold": 39.8, "selectivity_term": 0.8, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.413, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.63, "herg": 0.132, "dili": 0.228}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.587661167171049, "aff_pf": -1.2532641092936199, "aff_hs": 0.3468921184539795, "repeats_pf": {"runs": 3, "values": [-1.2112, -1.2334, -1.3151], "mean": -1.2533, "spread": 0.104}, "repeats_hs": {"runs": 3, "values": [0.4967, 0.368, 0.176], "mean": 0.3469, "spread": 0.3207}, "at": 1787197964}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192970, "scored_at": 1787197964, "alerts": [], "rank": 228}, {"candidate_id": "ODC-958B4B", "res_at": 1788479196, "skeleton": "BZWTVYUHZBPCNW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-01", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 72.739, "axes": {"activity": 20.13, "binding": 19.69, "selectivity": 17.9, "admet": 4.13, "novelty": 7.03, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.808, "fraction": 0.671}, "binding": {"pIC50": 7.95, "LE": 0.303, "potency_term": 0.984, "efficiency_cap": 1.0}, "selectivity": {"fold": 65.8, "selectivity_term": 0.909, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.807548817373573, "aff_pf": -1.9530696074167888, "aff_hs": -0.13489275177319845, "repeats_pf": {"runs": 3, "values": [-2.1571, -1.7764, -1.9257], "mean": -1.9531, "spread": 0.3807}, "repeats_hs": {"runs": 3, "values": [-0.1415, -0.342, 0.0788], "mean": -0.1349, "spread": 0.4208}, "at": 1788479196}, "tier": 1, "alerts": [], "total_sd": 2.267, "total_ci95": [67.514, 75.393], "relegate_reason": [], "submitted_at": 1788419589, "scored_at": 1788479196, "rank": 229}, {"candidate_id": "ODC-599D3B", "res_at": 1788822193, "skeleton": "VRFYFLDUVAMGCI", "hf_user": "Ku-ku", "display_name": "KK-M-0907-692", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 72.739, "axes": {"activity": 29.22, "binding": 14.02, "selectivity": 13.94, "admet": 5.52, "novelty": 6.45, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.353, "fraction": 0.974}, "binding": {"pIC50": 7.1, "LE": 0.336, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 97.2, "selectivity_term": 0.994, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.518, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.875, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.778, "ld50-zhu": 0.738, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 6.3533473223400945, "aff_pf": -1.1034211715062459, "aff_hs": 0.884248693784078, "repeats_pf": {"runs": 3, "values": [-1.1149, -1.1233, -1.072], "mean": -1.1034, "spread": 0.0513}, "repeats_hs": {"runs": 3, "values": [0.734, 0.7895, 1.1293], "mean": 0.8842, "spread": 0.3952}, "at": 1788822193}, "tier": 1, "alerts": [], "total_sd": 0.459, "total_ci95": [71.476, 73.053], "relegate_reason": [], "submitted_at": 1788786682, "scored_at": 1788822193, "rank": 230}, {"candidate_id": "ODC-2FB013", "res_at": 1788049828, "skeleton": "NCHOASOWSPCOQD", "hf_user": "Ku-ku", "display_name": "KK-M-0829-920", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 72.731, "axes": {"activity": 25.5, "binding": 18.56, "selectivity": 14.81, "admet": 4.27, "novelty": 6.86, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 6.13, "fraction": 0.85}, "binding": {"pIC50": 7.78, "LE": 0.395, "potency_term": 0.928, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.4, "selectivity_term": 0.798, "target_engagement": 0.928}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.092, "ld50-zhu": 0.442, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "3", "pAct_q10": 6.129869723883163, "aff_pf": -1.7836569547653198, "aff_hs": -0.18761974573135376, "repeats_pf": {"runs": 3, "values": [-1.7823, -1.7932, -1.7754], "mean": -1.7837, "spread": 0.0178}, "repeats_hs": {"runs": 3, "values": [-0.3917, -0.3436, 0.1725], "mean": -0.1876, "spread": 0.5642}, "at": 1788049828}, "tier": 1, "alerts": [], "total_sd": 1.452, "total_ci95": [70.833, 75.972], "relegate_reason": [], "submitted_at": 1787992128, "scored_at": 1788049828, "rank": 231}, {"candidate_id": "ODC-A49AE2", "res_at": 1788166761, "skeleton": "RNNYTLRNUZKYCO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-A06", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 72.712, "axes": {"activity": 29.35, "binding": 14.78, "selectivity": 12.91, "admet": 4.65, "novelty": 7.12, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.361, "fraction": 0.978}, "binding": {"pIC50": 7.47, "LE": 0.269, "potency_term": 0.823, "efficiency_cap": 0.898}, "selectivity": {"fold": 37.0, "selectivity_term": 0.784, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.264, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.36096607148367, "aff_pf": -1.4701861937840779, "aff_hs": 0.09743316719929378, "repeats_pf": {"runs": 3, "values": [-1.4947, -1.5126, -1.4032], "mean": -1.4702, "spread": 0.1095}, "repeats_hs": {"runs": 3, "values": [-0.0417, -0.1291, 0.4631], "mean": 0.0974, "spread": 0.5922}, "at": 1788166761}, "tier": 1, "alerts": [], "total_sd": 1.396, "total_ci95": [70.334, 75.858], "relegate_reason": [], "submitted_at": 1788165614, "scored_at": 1788166761, "rank": 232}, {"candidate_id": "ODC-8A8607", "res_at": 1787883871, "skeleton": "CAKKHLIBFWLJRT", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L14", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 72.652, "axes": {"activity": 23.71, "binding": 20.0, "selectivity": 14.02, "admet": 5.03, "novelty": 6.71, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 6.022, "fraction": 0.79}, "binding": {"pIC50": 8.03, "LE": 0.423, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.2, "selectivity_term": 0.701, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.549, "ld50-zhu": 0.516, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 6.02237541996715, "aff_pf": -2.0305352210998535, "aff_hs": -0.6289597054322561, "repeats_pf": {"runs": 3, "values": [-2.0274, -2.1593, -1.9049], "mean": -2.0305, "spread": 0.2544}, "repeats_hs": {"runs": 3, "values": [-0.8213, -0.2215, -0.8441], "mean": -0.629, "spread": 0.6226}, "at": 1787883871}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822352, "scored_at": 1787883871, "alerts": [], "rank": 233}, {"candidate_id": "ODC-4FC4F4", "res_at": 1787672993, "skeleton": "OSBNHZLAAJALGC", "hf_user": "Ku-ku", "display_name": "KK-M-0826-03", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCS2", "total": 72.642, "axes": {"activity": 25.8, "binding": 17.62, "selectivity": 14.83, "admet": 5.25, "novelty": 5.83, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.148, "fraction": 0.86}, "binding": {"pIC50": 7.64, "LE": 0.419, "potency_term": 0.881, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.2, "selectivity_term": 0.841, "target_engagement": 0.881}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.623, "ld50-zhu": 0.553, "herg": 0.306, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 6.147822756386125, "aff_pf": -1.6435114940007527, "aff_hs": 0.03915459165970484, "repeats_pf": {"runs": 3, "values": [-1.6037, -1.6519, -1.675], "mean": -1.6435, "spread": 0.0713}, "repeats_hs": {"runs": 3, "values": [0.0957, -0.0653, 0.087], "mean": 0.0392, "spread": 0.1611}, "at": 1787672993}, "tier": 1, "relegate_reason": [], "submitted_at": 1787672430, "scored_at": 1787672993, "alerts": [], "rank": 234}, {"candidate_id": "ODC-AD7ADC", "res_at": 1787201125, "skeleton": "ZMPQVTTYTATOJD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 72.623, "axes": {"activity": 26.84, "binding": 18.6, "selectivity": 11.46, "admet": 5.17, "novelty": 6.79, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.211, "fraction": 0.895}, "binding": {"pIC50": 7.81, "LE": 0.297, "potency_term": 0.938, "efficiency_cap": 0.991}, "selectivity": {"fold": 16.7, "selectivity_term": 0.611, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.63, "herg": 0.262, "dili": 0.161}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.210687159391503, "aff_pf": -1.8143432140350342, "aff_hs": -0.5929121176401774, "repeats_pf": {"runs": 3, "values": [-1.8292, -1.8136, -1.8002], "mean": -1.8143, "spread": 0.029}, "repeats_hs": {"runs": 3, "values": [-0.6501, -0.4745, -0.6541], "mean": -0.5929, "spread": 0.1796}, "at": 1787201125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787196367, "scored_at": 1787201125, "alerts": [], "rank": 235}, {"candidate_id": "ODC-D9B388", "res_at": 1787664053, "skeleton": "MIZXBXDMNRWTIC", "hf_user": "1Dmeds", "display_name": "ODC26-R2-07-butylFcap", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 72.601, "axes": {"activity": 30.0, "binding": 15.44, "selectivity": 10.63, "admet": 5.53, "novelty": 7.14, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.436, "fraction": 1.0}, "binding": {"pIC50": 7.4, "LE": 0.29, "potency_term": 0.8, "efficiency_cap": 0.965}, "selectivity": {"fold": 21.3, "selectivity_term": 0.665, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.215, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.865, "herg": 0.05, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.43555793066185, "aff_pf": -1.3985418478647869, "aff_hs": -0.06926211218039195, "repeats_pf": {"runs": 3, "values": [-1.4757, -1.3082, -1.4117], "mean": -1.3985, "spread": 0.1675}, "repeats_hs": {"runs": 3, "values": [-0.2238, -0.2052, 0.2212], "mean": -0.0693, "spread": 0.445}, "at": 1787664053}, "tier": 1, "relegate_reason": [], "submitted_at": 1787663113, "scored_at": 1787664053, "alerts": [], "rank": 236}, {"candidate_id": "ODC-6A2D38", "res_at": 1787062637, "skeleton": "ARPLAPISVQZYGZ", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 72.59, "axes": {"activity": 18.77, "binding": 20.0, "selectivity": 20.0, "admet": 3.21, "novelty": 6.46, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 5.726, "fraction": 0.626}, "binding": {"pIC50": 8.01, "LE": 0.323, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 196.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.214, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.72617370946958, "aff_pf": -2.009575923283895, "aff_hs": 0.2843810220559438, "repeats_pf": {"runs": 3, "values": [-1.9574, -1.9138, -2.1575], "mean": -2.0096, "spread": 0.2437}, "repeats_hs": {"runs": 3, "values": [0.373, 0.0977, 0.3825], "mean": 0.2844, "spread": 0.2848}, "at": 1787062637}, "tier": 1, "relegate_reason": [], "submitted_at": 1787061301, "scored_at": 1787062637, "alerts": [], "rank": 237}, {"candidate_id": "ODC-6DFAF8", "res_at": 1787037117, "skeleton": "GZWYVVBSONLLRP", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 72.587, "axes": {"activity": 22.89, "binding": 18.51, "selectivity": 17.19, "admet": 3.32, "novelty": 6.72, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.973, "fraction": 0.763}, "binding": {"pIC50": 7.78, "LE": 0.323, "potency_term": 0.926, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.0, "selectivity_term": 0.929, "target_engagement": 0.926}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.554, "herg": 0.143, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.973398772800863, "aff_pf": -1.7769722541173298, "aff_hs": 0.08020169908801715, "repeats_pf": {"runs": 3, "values": [-1.7711, -1.7868, -1.773], "mean": -1.777, "spread": 0.0157}, "repeats_hs": {"runs": 3, "values": [0.0594, 0.1663, 0.0149], "mean": 0.0802, "spread": 0.1514}, "at": 1787037117}, "tier": 1, "relegate_reason": [], "submitted_at": 1787033668, "scored_at": 1787037117, "alerts": [], "rank": 238}, {"candidate_id": "ODC-CD4B70", "res_at": 1787648944, "skeleton": "DLGWGILMUWUJRC", "hf_user": "1Dmeds", "display_name": "ODC26-W4-chainBranch", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········l)CC1", "total": 72.573, "axes": {"activity": 27.21, "binding": 20.0, "selectivity": 9.15, "admet": 5.39, "novelty": 6.83, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.233, "fraction": 0.907}, "binding": {"pIC50": 8.03, "LE": 0.314, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.457, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.173, "dili": 0.289}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.232693136115481, "aff_pf": -2.033527930577596, "aff_hs": -1.118596037228902, "repeats_pf": {"runs": 3, "values": [-2.0204, -2.0383, -2.0419], "mean": -2.0335, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [-1.144, -1.2194, -0.9924], "mean": -1.1186, "spread": 0.2271}, "at": 1787648944}, "tier": 1, "relegate_reason": [], "submitted_at": 1787642056, "scored_at": 1787648944, "alerts": [], "rank": 239}, {"candidate_id": "ODC-1DC1B9", "res_at": 1787719098, "skeleton": "GOSRTAXWRLPCDG", "hf_user": "1Dmeds", "display_name": "ODC26-R2-10-CF2Me", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 72.53, "axes": {"activity": 18.08, "binding": 19.49, "selectivity": 19.49, "admet": 5.76, "novelty": 5.73, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.685, "fraction": 0.603}, "binding": {"pIC50": 7.92, "LE": 0.31, "potency_term": 0.975, "efficiency_cap": 1.0}, "selectivity": {"fold": 168.0, "selectivity_term": 1.0, "target_engagement": 0.975}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.515, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.465, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.68, "herg": 0.324, "dili": 0.136}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.684751948554643, "aff_pf": -1.9239867528279622, "aff_hs": 0.3014299323161443, "repeats_pf": {"runs": 3, "values": [-1.9167, -1.9841, -1.8712], "mean": -1.924, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [0.157, 0.1463, 0.601], "mean": 0.3014, "spread": 0.4548}, "at": 1787719098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717397, "scored_at": 1787719098, "alerts": [], "rank": 240}, {"candidate_id": "ODC-0C71C0", "res_at": 1789096553, "skeleton": "BEASWCLNRWNLIC", "hf_user": "Ku-ku", "display_name": "KK-M-0911-933", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 72.53, "axes": {"activity": 30.0, "binding": 12.88, "selectivity": 12.76, "admet": 5.85, "novelty": 6.85, "synthesis": 4.18}, "detail": {"activity": {"pAct_q10": 6.519, "fraction": 1.0}, "binding": {"pIC50": 6.93, "LE": 0.339, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 95.6, "selectivity_term": 0.99, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.597, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 0.516, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 6.519437235723385, "aff_pf": -0.9327130317687988, "aff_hs": 1.0479529897371929, "repeats_pf": {"runs": 3, "values": [-0.9897, -0.9416, -0.8668], "mean": -0.9327, "spread": 0.1229}, "repeats_hs": {"runs": 3, "values": [1.1271, 0.9538, 1.063], "mean": 1.048, "spread": 0.1733}, "at": 1789096553}, "tier": 1, "alerts": [], "total_sd": 0.615, "total_ci95": [71.112, 73.414], "relegate_reason": [], "submitted_at": 1789089372, "scored_at": 1789096553, "rank": 241}, {"candidate_id": "ODC-E7E135", "res_at": 1788555899, "skeleton": "MIYPVFUZHNLATD", "hf_user": "1Dmeds", "display_name": "ODC26-S1D12", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 72.529, "axes": {"activity": 29.43, "binding": 13.31, "selectivity": 13.97, "admet": 4.99, "novelty": 6.94, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.366, "fraction": 0.981}, "binding": {"pIC50": 7.1, "LE": 0.286, "potency_term": 0.698, "efficiency_cap": 0.953}, "selectivity": {"fold": 120.4, "selectivity_term": 1.0, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.143, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.651, "herg": 0.072, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.365603663594128, "aff_pf": -1.0950944423675537, "aff_hs": 0.9856780966122946, "repeats_pf": {"runs": 3, "values": [-1.0508, -1.1091, -1.1254], "mean": -1.0951, "spread": 0.0745}, "repeats_hs": {"runs": 3, "values": [0.9692, 0.9667, 1.021], "mean": 0.9857, "spread": 0.0543}, "at": 1788555899}, "tier": 1, "alerts": [], "total_sd": 0.287, "total_ci95": [71.871, 72.981], "relegate_reason": [], "submitted_at": 1788517823, "scored_at": 1788555899, "rank": 242}, {"candidate_id": "ODC-2B55C4", "res_at": 1788553269, "skeleton": "HUMSNWNYXBQRHV", "hf_user": "1Dmeds", "display_name": "ODC26-S1D06", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CN(C)··········nc2n1", "total": 72.519, "axes": {"activity": 28.7, "binding": 16.83, "selectivity": 12.88, "admet": 3.68, "novelty": 7.01, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.322, "fraction": 0.957}, "binding": {"pIC50": 7.72, "LE": 0.278, "potency_term": 0.907, "efficiency_cap": 0.928}, "selectivity": {"fold": 26.3, "selectivity_term": 0.71, "target_engagement": 0.907}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.59, "herg": 0.162, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 6.321811015126051, "aff_pf": -1.7205816904703777, "aff_hs": -0.29994842906792957, "repeats_pf": {"runs": 3, "values": [-1.743, -1.7492, -1.6695], "mean": -1.7206, "spread": 0.0798}, "repeats_hs": {"runs": 3, "values": [-0.3361, -0.3254, -0.2383], "mean": -0.2999, "spread": 0.0978}, "at": 1788553269}, "tier": 1, "alerts": [], "total_sd": 0.466, "total_ci95": [71.64, 73.362], "relegate_reason": [], "submitted_at": 1788517766, "scored_at": 1788553269, "rank": 243}, {"candidate_id": "ODC-FF31D9", "res_at": 1786946983, "skeleton": "PCAJBWNABLJLDJ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 72.517, "axes": {"activity": 27.23, "binding": 16.17, "selectivity": 15.0, "admet": 3.74, "novelty": 6.79, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.234, "fraction": 0.908}, "binding": {"pIC50": 7.48, "LE": 0.293, "potency_term": 0.828, "efficiency_cap": 0.976}, "selectivity": {"fold": 64.8, "selectivity_term": 0.906, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.489, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.106, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.888, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.252, "novelty": 0.748}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "2", "pAct_q10": 6.233928155293204, "aff_pf": -1.4836355050404866, "aff_hs": 0.32821276783943176, "repeats_pf": {"runs": 3, "values": [-1.5258, -1.4173, -1.5078], "mean": -1.4836, "spread": 0.1085}, "repeats_hs": {"runs": 3, "values": [0.3782, 0.3134, 0.2931], "mean": 0.3282, "spread": 0.0851}, "at": 1786946983}, "tier": 1, "relegate_reason": [], "submitted_at": 1786936513, "scored_at": 1786946983, "alerts": [], "rank": 244}, {"candidate_id": "ODC-DE7EF5", "res_at": 1788337605, "skeleton": "RUUKZMQGBUTWGW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FW-02-desF-azetidine", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 72.489, "axes": {"activity": 30.0, "binding": 15.97, "selectivity": 11.6, "admet": 3.84, "novelty": 6.82, "synthesis": 4.25}, "detail": {"activity": {"pAct_q10": 6.603, "fraction": 1.0}, "binding": {"pIC50": 7.57, "LE": 0.28, "potency_term": 0.855, "efficiency_cap": 0.934}, "selectivity": {"fold": 22.7, "selectivity_term": 0.678, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.137}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 6.602629571701489, "aff_pf": -1.565922220547994, "aff_hs": -0.20956306656201681, "repeats_pf": {"runs": 3, "values": [-1.7341, -1.2912, -1.6725], "mean": -1.5659, "spread": 0.4428}, "repeats_hs": {"runs": 3, "values": [-0.2666, -0.0373, -0.3248], "mean": -0.2096, "spread": 0.2875}, "at": 1788337605}, "tier": 1, "alerts": [], "total_sd": 2.279, "total_ci95": [67.069, 76.432], "relegate_reason": [], "submitted_at": 1788336995, "scored_at": 1788337605, "rank": 245}, {"candidate_id": "ODC-8B241C", "res_at": 1787724093, "skeleton": "RGPUGWHASNTIJK", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R3", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 72.484, "axes": {"activity": 23.07, "binding": 19.77, "selectivity": 13.16, "admet": 5.88, "novelty": 6.44, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 5.984, "fraction": 0.769}, "binding": {"pIC50": 7.97, "LE": 0.437, "potency_term": 0.989, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.989}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.735, "ld50-zhu": 0.508, "herg": 0.071, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.984179631539283, "aff_pf": -1.9657979011535645, "aff_hs": -0.6348741253217062, "repeats_pf": {"runs": 3, "values": [-1.9737, -1.9781, -1.9456], "mean": -1.9658, "spread": 0.0325}, "repeats_hs": {"runs": 3, "values": [-0.2626, -0.8274, -0.8146], "mean": -0.6349, "spread": 0.5647}, "at": 1787724093}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719785, "scored_at": 1787724093, "alerts": [], "rank": 246}, {"candidate_id": "ODC-9C1F8D", "res_at": 1786894997, "skeleton": "DXFHKPZZHCNKSE", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 72.452, "axes": {"activity": 19.12, "binding": 19.65, "selectivity": 19.65, "admet": 4.07, "novelty": 5.95, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.747, "fraction": 0.637}, "binding": {"pIC50": 7.95, "LE": 0.33, "potency_term": 0.982, "efficiency_cap": 1.0}, "selectivity": {"fold": 251.9, "selectivity_term": 1.0, "target_engagement": 0.982}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.26, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.849, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.747426066100133, "aff_pf": -1.9469051361083984, "aff_hs": 0.4542817274729411, "repeats_pf": {"runs": 3, "values": [-1.9634, -1.9943, -1.883], "mean": -1.9469, "spread": 0.1112}, "repeats_hs": {"runs": 3, "values": [0.559, 0.4873, 0.3166], "mean": 0.4543, "spread": 0.2423}, "at": 1786894997}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888726, "scored_at": 1786894997, "alerts": [], "rank": 247}, {"candidate_id": "ODC-44F032", "res_at": 1789426069, "skeleton": "VTCLJVJJVKEVLW", "hf_user": "Ku-ku", "display_name": "KK-M-0915-256", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 72.441, "axes": {"activity": 30.0, "binding": 16.79, "selectivity": 9.55, "admet": 5.78, "novelty": 6.67, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.515, "fraction": 1.0}, "binding": {"pIC50": 7.52, "LE": 0.382, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.351, "ld50-zhu": 0.598, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 6.515086833977886, "aff_pf": -1.518933614095052, "aff_hs": -0.38104113439718884, "repeats_pf": {"runs": 3, "values": [-1.5896, -1.5953, -1.3719], "mean": -1.5189, "spread": 0.2234}, "repeats_hs": {"runs": 3, "values": [-0.2461, -0.6087, -0.2883], "mean": -0.381, "spread": 0.3626}, "at": 1789426069}, "tier": 1, "alerts": [], "total_sd": 1.262, "total_ci95": [70.185, 74.946], "relegate_reason": [], "submitted_at": 1789425045, "scored_at": 1789426069, "rank": 248}, {"candidate_id": "ODC-5F723D", "res_at": 1787167839, "skeleton": "XQOLYTPDZFKLGH", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 72.41, "axes": {"activity": 29.91, "binding": 17.58, "selectivity": 9.63, "admet": 4.02, "novelty": 7.15, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 6.394, "fraction": 0.997}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.918, "efficiency_cap": 0.957}, "selectivity": {"fold": 11.2, "selectivity_term": 0.525, "target_engagement": 0.918}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.066, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 0.905, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.094, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.394485831049156, "aff_pf": -1.7548063198725383, "aff_hs": -0.7057883938153585, "repeats_pf": {"runs": 3, "values": [-1.7671, -1.9159, -1.5814], "mean": -1.7548, "spread": 0.3345}, "repeats_hs": {"runs": 3, "values": [-0.8248, -0.7251, -0.5675], "mean": -0.7058, "spread": 0.2574}, "at": 1787167839}, "tier": 1, "relegate_reason": [], "submitted_at": 1787161882, "scored_at": 1787167839, "alerts": [], "rank": 249}, {"candidate_id": "ODC-EDFA00", "res_at": 1788312095, "skeleton": "SCJIYRYNQQZUSK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-E-stock-sp6-Y26-diF", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 72.375, "axes": {"activity": 26.84, "binding": 16.32, "selectivity": 15.39, "admet": 3.65, "novelty": 6.77, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 6.211, "fraction": 0.895}, "binding": {"pIC50": 7.61, "LE": 0.282, "potency_term": 0.869, "efficiency_cap": 0.939}, "selectivity": {"fold": 58.9, "selectivity_term": 0.885, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.210523739379284, "aff_pf": -1.607504407564799, "aff_hs": 0.16275163491566977, "repeats_pf": {"runs": 3, "values": [-1.6246, -1.593, -1.6049], "mean": -1.6075, "spread": 0.0316}, "repeats_hs": {"runs": 3, "values": [0.086, 0.0784, 0.3238], "mean": 0.1628, "spread": 0.2454}, "at": 1788312095}, "tier": 1, "alerts": [], "total_sd": 0.591, "total_ci95": [71.493, 73.621], "relegate_reason": [], "submitted_at": 1788302159, "scored_at": 1788312095, "rank": 250}, {"candidate_id": "ODC-ADC11A", "res_at": 1788550327, "skeleton": "UBFRQSLIYSXVJN", "hf_user": "Ku-ku", "display_name": "KK-M-0904-945", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCNc1c··········nc2n1", "total": 72.375, "axes": {"activity": 30.0, "binding": 13.09, "selectivity": 12.35, "admet": 6.07, "novelty": 6.89, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.44, "fraction": 1.0}, "binding": {"pIC50": 6.96, "LE": 0.341, "potency_term": 0.654, "efficiency_cap": 1.0}, "selectivity": {"fold": 77.1, "selectivity_term": 0.944, "target_engagement": 0.654}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.444, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.447, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.918, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.439571285579538, "aff_pf": -0.9632246494293213, "aff_hs": 0.9240255554517111, "repeats_pf": {"runs": 3, "values": [-0.9775, -0.9331, -0.9791], "mean": -0.9632, "spread": 0.046}, "repeats_hs": {"runs": 3, "values": [0.8579, 1.0872, 0.827], "mean": 0.924, "spread": 0.2603}, "at": 1788550327}, "tier": 1, "alerts": [], "total_sd": 0.464, "total_ci95": [71.524, 73.236], "relegate_reason": [], "submitted_at": 1788502593, "scored_at": 1788550327, "rank": 251}, {"candidate_id": "ODC-19C11B", "res_at": 1789433149, "skeleton": "UFDHYTVJCUMOEM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-Oxepane-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········COCC1", "total": 72.273, "axes": {"activity": 30.0, "binding": 14.75, "selectivity": 12.86, "admet": 4.24, "novelty": 7.22, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 6.711, "fraction": 1.0}, "binding": {"pIC50": 7.47, "LE": 0.269, "potency_term": 0.822, "efficiency_cap": 0.897}, "selectivity": {"fold": 36.7, "selectivity_term": 0.782, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 0.762, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.476, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "0", "pAct_q10": 6.710964801395269, "aff_pf": -1.466044823328654, "aff_hs": 0.0989299410333236, "repeats_pf": {"runs": 3, "values": [-1.3867, -1.4863, -1.5252], "mean": -1.466, "spread": 0.1385}, "repeats_hs": {"runs": 3, "values": [0.1926, 0.1344, -0.0302], "mean": 0.0989, "spread": 0.2228}, "at": 1789433149}, "tier": 1, "alerts": [], "total_sd": 0.777, "total_ci95": [70.601, 73.729], "relegate_reason": [], "submitted_at": 1789432962, "scored_at": 1789433149, "rank": 252}, {"candidate_id": "ODC-B44D41", "res_at": 1788338721, "skeleton": "ONLSVUSTRHSDSN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FW-06-anchor-azetidine", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 72.254, "axes": {"activity": 30.0, "binding": 16.31, "selectivity": 11.2, "admet": 3.55, "novelty": 7.11, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.533, "fraction": 1.0}, "binding": {"pIC50": 7.66, "LE": 0.276, "potency_term": 0.886, "efficiency_cap": 0.92}, "selectivity": {"fold": 18.4, "selectivity_term": 0.632, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.481, "hia-hou": 1.0, "bioavailability-ma": 0.842, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.532519480791633, "aff_pf": -1.6577170292536418, "aff_hs": -0.39362632234891254, "repeats_pf": {"runs": 3, "values": [-1.7507, -1.5856, -1.6369], "mean": -1.6577, "spread": 0.165}, "repeats_hs": {"runs": 3, "values": [-0.5417, -0.2083, -0.4309], "mean": -0.3936, "spread": 0.3334}, "at": 1788338721}, "tier": 1, "alerts": [], "total_sd": 1.172, "total_ci95": [69.808, 74.446], "relegate_reason": [], "submitted_at": 1788337013, "scored_at": 1788338721, "rank": 253}, {"candidate_id": "ODC-3BA204", "res_at": 1789973005, "skeleton": "PURMPHUIMISDBF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 72.123, "axes": {"activity": 26.13, "binding": 17.53, "selectivity": 14.97, "admet": 3.8, "novelty": 6.39, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.168, "fraction": 0.871}, "binding": {"pIC50": 7.69, "LE": 0.293, "potency_term": 0.898, "efficiency_cap": 0.976}, "selectivity": {"fold": 46.4, "selectivity_term": 0.833, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 6.167524808525787, "aff_pf": -1.6945351362228394, "aff_hs": -0.028177390495936077, "repeats_pf": {"runs": 3, "values": [-1.7137, -1.7561, -1.6138], "mean": -1.6945, "spread": 0.1423}, "repeats_hs": {"runs": 3, "values": [0.2559, -0.4548, 0.1144], "mean": -0.0282, "spread": 0.7106}, "at": 1789973005}, "tier": 1, "alerts": [], "total_sd": 1.725, "total_ci95": [69.159, 75.726], "relegate_reason": [], "submitted_at": 1789946791, "scored_at": 1789973005, "rank": 254}, {"candidate_id": "ODC-298F9B", "res_at": 1788084170, "skeleton": "KDADAUWHENOVRC", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1c(C··········3)c1F", "total": 72.09, "axes": {"activity": 30.0, "binding": 14.39, "selectivity": 11.8, "admet": 4.69, "novelty": 7.55, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.401, "fraction": 1.0}, "binding": {"pIC50": 7.32, "LE": 0.279, "potency_term": 0.774, "efficiency_cap": 0.929}, "selectivity": {"fold": 33.4, "selectivity_term": 0.762, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 0.703, "pgp-broccatelli": 0.274, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.726, "herg": 0.05, "dili": 0.164}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 6.401021915255179, "aff_pf": -1.3233693440755208, "aff_hs": 0.2001578559478124, "repeats_pf": {"runs": 3, "values": [-1.3159, -1.3418, -1.3124], "mean": -1.3234, "spread": 0.0294}, "repeats_hs": {"runs": 3, "values": [0.1067, 0.1056, 0.3881], "mean": 0.2002, "spread": 0.2825}, "at": 1788084170}, "tier": 1, "alerts": [], "total_sd": 0.649, "total_ci95": [71.161, 73.545], "relegate_reason": [], "submitted_at": 1788074702, "scored_at": 1788084170, "rank": 255}, {"candidate_id": "ODC-D44CE7", "res_at": 1787877643, "skeleton": "SXLIJZLXBPCDAJ", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L02", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 72.059, "axes": {"activity": 25.41, "binding": 17.7, "selectivity": 14.9, "admet": 4.38, "novelty": 6.14, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.124, "fraction": 0.847}, "binding": {"pIC50": 7.66, "LE": 0.403, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.3, "selectivity_term": 0.842, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.598, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.124310134242309, "aff_pf": -1.6553219556808472, "aff_hs": 0.028377115726470947, "repeats_pf": {"runs": 3, "values": [-1.5791, -1.7932, -1.5937], "mean": -1.6553, "spread": 0.2141}, "repeats_hs": {"runs": 3, "values": [0.1453, 0.0266, -0.0867], "mean": 0.0284, "spread": 0.232}, "at": 1787877643}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822305, "scored_at": 1787877643, "alerts": [], "rank": 256}, {"candidate_id": "ODC-847D0B", "res_at": 1788301310, "skeleton": "IPYQXEAURWUYLT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-E06-ethynyl-NMe2-tier1safe", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 72.011, "axes": {"activity": 26.62, "binding": 19.72, "selectivity": 9.34, "admet": 5.5, "novelty": 7.23, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.197, "fraction": 0.887}, "binding": {"pIC50": 8.0, "LE": 0.296, "potency_term": 0.999, "efficiency_cap": 0.987}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.999}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.595, "herg": 0.242, "dili": 0.277}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 6.197393954480092, "aff_pf": -1.9974175294240315, "aff_hs": -1.0624285837014515, "repeats_pf": {"runs": 3, "values": [-1.9837, -2.0079, -2.0006], "mean": -1.9974, "spread": 0.0242}, "repeats_hs": {"runs": 3, "values": [-1.4211, -1.5097, -0.2565], "mean": -1.0624, "spread": 1.2532}, "at": 1788301310}, "tier": 1, "alerts": [], "total_sd": 3.504, "total_ci95": [67.542, 80.191], "relegate_reason": [], "submitted_at": 1788272041, "scored_at": 1788301310, "rank": 257}, {"candidate_id": "ODC-EF1FC9", "res_at": 1787642982, "skeleton": "WGGVTXOILFMFAE", "hf_user": "1Dmeds", "display_name": "ODC26-N03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 71.978, "axes": {"activity": 29.4, "binding": 14.2, "selectivity": 12.74, "admet": 4.6, "novelty": 7.13, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 6.364, "fraction": 0.98}, "binding": {"pIC50": 7.4, "LE": 0.267, "potency_term": 0.799, "efficiency_cap": 0.889}, "selectivity": {"fold": 39.4, "selectivity_term": 0.798, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.648, "herg": 0.243, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.363826718853827, "aff_pf": -1.3957582314809163, "aff_hs": 0.19957119226455688, "repeats_pf": {"runs": 3, "values": [-1.143, -1.6941, -1.3502], "mean": -1.3958, "spread": 0.5511}, "repeats_hs": {"runs": 3, "values": [0.0155, 0.264, 0.3192], "mean": 0.1996, "spread": 0.3037}, "at": 1787642982}, "tier": 1, "relegate_reason": [], "submitted_at": 1787638753, "scored_at": 1787642982, "alerts": [], "rank": 258}, {"candidate_id": "ODC-D94947", "res_at": 1789998898, "skeleton": "JZDZJIXMTYTPLA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-06", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 71.949, "axes": {"activity": 30.0, "binding": 14.04, "selectivity": 11.45, "admet": 5.42, "novelty": 7.44, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.543, "fraction": 1.0}, "binding": {"pIC50": 7.28, "LE": 0.277, "potency_term": 0.76, "efficiency_cap": 0.924}, "selectivity": {"fold": 32.1, "selectivity_term": 0.753, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.903, "herg": 0.05, "dili": 0.204}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 6.54271528184018, "aff_pf": -1.2808910210927327, "aff_hs": 0.22505057354768118, "repeats_pf": {"runs": 3, "values": [-1.3797, -1.1687, -1.2943], "mean": -1.2809, "spread": 0.211}, "repeats_hs": {"runs": 3, "values": [0.1839, 0.2772, 0.214], "mean": 0.2251, "spread": 0.0932}, "at": 1789998898}, "tier": 1, "alerts": [], "total_sd": 1.048, "total_ci95": [69.83, 74.036], "relegate_reason": [], "submitted_at": 1789991827, "scored_at": 1789998898, "rank": 259}, {"candidate_id": "ODC-1AC2E7", "res_at": 1787648547, "skeleton": "JDCFRZXXZSFQOL", "hf_user": "1Dmeds", "display_name": "ODC26-W2-R5Cl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 71.948, "axes": {"activity": 29.38, "binding": 17.37, "selectivity": 11.02, "admet": 3.5, "novelty": 6.65, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.363, "fraction": 0.979}, "binding": {"pIC50": 7.62, "LE": 0.298, "potency_term": 0.874, "efficiency_cap": 0.994}, "selectivity": {"fold": 18.2, "selectivity_term": 0.63, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.238, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 0.972, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.201, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.362963509421315, "aff_pf": -1.6207926670710247, "aff_hs": -0.35991273323694867, "repeats_pf": {"runs": 3, "values": [-1.5642, -1.6454, -1.6528], "mean": -1.6208, "spread": 0.0886}, "repeats_hs": {"runs": 3, "values": [-0.5368, -0.1755, -0.3675], "mean": -0.3599, "spread": 0.3613}, "at": 1787648547}, "tier": 1, "relegate_reason": [], "submitted_at": 1787642041, "scored_at": 1787648547, "alerts": [], "rank": 260}, {"candidate_id": "ODC-B840D5", "res_at": 1789386111, "skeleton": "MYGVIJHHQKURLU", "hf_user": "Ku-ku", "display_name": "KK-M-0914-248", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 71.91, "axes": {"activity": 16.3, "binding": 18.86, "selectivity": 18.11, "admet": 9.6, "novelty": 6.1, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.578, "fraction": 0.543}, "binding": {"pIC50": 7.83, "LE": 0.429, "potency_term": 0.943, "efficiency_cap": 1.0}, "selectivity": {"fold": 83.2, "selectivity_term": 0.96, "target_engagement": 0.943}, "admet": {"geometric_mean": 0.679, "per_endpoint": {"solubility-aqsoldb": 0.571, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.604, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.522, "herg": 0.802, "dili": 0.171}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 5.57788990974628, "aff_pf": -1.8291315635045369, "aff_hs": 0.0907932569583257, "repeats_pf": {"runs": 3, "values": [-1.8559, -1.7801, -1.8513], "mean": -1.8291, "spread": 0.0758}, "repeats_hs": {"runs": 3, "values": [0.1393, 0.1362, -0.0032], "mean": 0.0908, "spread": 0.1425}, "at": 1789386111}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.704, "total_ci95": [70.491, 73.107], "relegate_reason": [], "submitted_at": 1789381698, "scored_at": 1789386111, "rank": 261}, {"candidate_id": "ODC-B7A956", "res_at": 1786988278, "skeleton": "RDVJQEVRIMVEKG", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 71.855, "axes": {"activity": 18.49, "binding": 19.65, "selectivity": 19.65, "admet": 3.58, "novelty": 6.55, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.71, "fraction": 0.616}, "binding": {"pIC50": 7.95, "LE": 0.302, "potency_term": 0.983, "efficiency_cap": 1.0}, "selectivity": {"fold": 120.0, "selectivity_term": 1.0, "target_engagement": 0.983}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.751, "herg": 0.228, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.709572559319528, "aff_pf": -1.9482320149739583, "aff_hs": 0.13090629875659943, "repeats_pf": {"runs": 3, "values": [-1.9696, -1.9242, -1.9509], "mean": -1.9482, "spread": 0.0455}, "repeats_hs": {"runs": 3, "values": [0.1437, 0.0991, 0.15], "mean": 0.1309, "spread": 0.0509}, "at": 1786988278}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984417, "scored_at": 1786988278, "alerts": [], "rank": 262}, {"candidate_id": "ODC-50BA96", "res_at": 1789212031, "skeleton": "RGTWKNZJRZKLJZ", "hf_user": "Ku-ku", "display_name": "KK-M-0912-655", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 71.779, "axes": {"activity": 15.5, "binding": 19.67, "selectivity": 17.01, "admet": 10.65, "novelty": 5.09, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.53, "fraction": 0.517}, "binding": {"pIC50": 7.95, "LE": 0.495, "potency_term": 0.983, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.7, "selectivity_term": 0.865, "target_engagement": 0.983}, "admet": {"geometric_mean": 0.722, "per_endpoint": {"solubility-aqsoldb": 0.818, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.816, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.365, "herg": 0.58, "dili": 0.406}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.529795927645118, "aff_pf": -1.95000422000885, "aff_hs": -0.21972366174062094, "repeats_pf": {"runs": 3, "values": [-1.9899, -1.9445, -1.9156], "mean": -1.95, "spread": 0.0743}, "repeats_hs": {"runs": 3, "values": [-0.1976, -0.1837, -0.2779], "mean": -0.2197, "spread": 0.0942}, "at": 1789212031}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.481, "total_ci95": [70.789, 72.763], "relegate_reason": [], "submitted_at": 1789179618, "scored_at": 1789212031, "rank": 263}, {"candidate_id": "ODC-68EC2A", "res_at": 1786988647, "skeleton": "QHSUJQLOVUTJQW", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 71.755, "axes": {"activity": 16.7, "binding": 19.97, "selectivity": 19.97, "admet": 4.53, "novelty": 6.53, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 5.602, "fraction": 0.557}, "binding": {"pIC50": 8.0, "LE": 0.313, "potency_term": 0.999, "efficiency_cap": 1.0}, "selectivity": {"fold": 287.7, "selectivity_term": 1.0, "target_engagement": 0.999}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.421, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.789, "herg": 0.438, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.6022330160797305, "aff_pf": -1.9958183765411377, "aff_hs": 0.4630630612373352, "repeats_pf": {"runs": 3, "values": [-2.017, -2.0375, -1.933], "mean": -1.9958, "spread": 0.1045}, "repeats_hs": {"runs": 3, "values": [0.3039, 0.454, 0.6313], "mean": 0.4631, "spread": 0.3275}, "at": 1786988647}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984507, "scored_at": 1786988647, "alerts": [], "rank": 264}, {"candidate_id": "ODC-EE3B1D", "res_at": 1787586567, "skeleton": "ALFHBGQQAUUOQP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 71.737, "axes": {"activity": 30.0, "binding": 18.21, "selectivity": 7.79, "admet": 4.61, "novelty": 7.11, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 6.492, "fraction": 1.0}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.924, "efficiency_cap": 0.986}, "selectivity": {"fold": 7.0, "selectivity_term": 0.421, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.266, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.115, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.556, "herg": 0.05, "dili": 0.259}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.49155297799527, "aff_pf": -1.7713024616241455, "aff_hs": -0.9285243550936381, "repeats_pf": {"runs": 3, "values": [-1.7734, -1.7461, -1.7944], "mean": -1.7713, "spread": 0.0483}, "repeats_hs": {"runs": 3, "values": [-0.8743, -1.0003, -0.9109], "mean": -0.9285, "spread": 0.126}, "at": 1787586567}, "tier": 1, "relegate_reason": [], "submitted_at": 1787583625, "scored_at": 1787586567, "alerts": [], "rank": 265}, {"candidate_id": "ODC-046F84", "res_at": 1787666081, "skeleton": "FCEIMKKIBZNRGT", "hf_user": "Ku-ku", "display_name": "KK-M-0825-31", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 71.723, "axes": {"activity": 15.31, "binding": 19.96, "selectivity": 15.31, "admet": 10.93, "novelty": 6.8, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 7.99, "LE": 0.438, "potency_term": 0.998, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.2, "selectivity_term": 0.767, "target_engagement": 0.998}, "admet": {"geometric_mean": 0.73, "per_endpoint": {"solubility-aqsoldb": 0.725, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.917, "ld50-zhu": 0.552, "herg": 0.655, "dili": 0.276}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.518308723362656, "aff_pf": -1.9933747450510662, "aff_hs": -0.45926277836163837, "repeats_pf": {"runs": 3, "values": [-2.1795, -1.8572, -1.9434], "mean": -1.9934, "spread": 0.3223}, "repeats_hs": {"runs": 3, "values": [-0.0642, -0.6163, -0.6972], "mean": -0.4593, "spread": 0.633}, "at": 1787666081}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787665899, "scored_at": 1787666081, "rank": 266}, {"candidate_id": "ODC-CA3B14", "res_at": 1789033999, "skeleton": "OMQJEEOUAYJOBO", "hf_user": "Ku-ku", "display_name": "KK-M-0910-342", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 71.65, "axes": {"activity": 26.4, "binding": 19.14, "selectivity": 11.99, "admet": 4.36, "novelty": 6.91, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 6.184, "fraction": 0.88}, "binding": {"pIC50": 7.87, "LE": 0.399, "potency_term": 0.957, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.9, "selectivity_term": 0.626, "target_engagement": 0.957}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.478, "herg": 0.053, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "0", "pAct_q10": 6.18426240017929, "aff_pf": -1.8716476758321126, "aff_hs": -0.6194601754347483, "repeats_pf": {"runs": 3, "values": [-1.833, -1.832, -1.9499], "mean": -1.8716, "spread": 0.1179}, "repeats_hs": {"runs": 3, "values": [-0.7471, -0.4713, -0.6401], "mean": -0.6195, "spread": 0.2758}, "at": 1789033999}, "tier": 1, "alerts": [], "total_sd": 1.088, "total_ci95": [69.799, 74.205], "relegate_reason": [], "submitted_at": 1789033228, "scored_at": 1789033999, "rank": 267}, {"candidate_id": "ODC-DB3F48", "res_at": 1787023110, "skeleton": "FCWILUAYEOYSOD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········)CCC1", "total": 71.635, "axes": {"activity": 16.49, "binding": 20.0, "selectivity": 20.0, "admet": 4.68, "novelty": 6.32, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 5.589, "fraction": 0.55}, "binding": {"pIC50": 8.15, "LE": 0.319, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 139.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.589477309994271, "aff_pf": -2.1477301915486655, "aff_hs": -0.0022785949210325875, "repeats_pf": {"runs": 3, "values": [-2.152, -2.0724, -2.2188], "mean": -2.1477, "spread": 0.1464}, "repeats_hs": {"runs": 3, "values": [0.0433, -0.0456, -0.0046], "mean": -0.0023, "spread": 0.0889}, "at": 1787023110}, "tier": 1, "relegate_reason": [], "submitted_at": 1787022153, "scored_at": 1787023110, "alerts": [], "rank": 268}, {"candidate_id": "ODC-403C43", "res_at": 1788481677, "skeleton": "XBDQPUQHCNMJEZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-06", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 71.586, "axes": {"activity": 20.56, "binding": 19.49, "selectivity": 17.36, "admet": 3.35, "novelty": 6.93, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.834, "fraction": 0.685}, "binding": {"pIC50": 7.92, "LE": 0.31, "potency_term": 0.975, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.5, "selectivity_term": 0.891, "target_engagement": 0.975}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.056, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.833735384765581, "aff_pf": -1.9240167140960693, "aff_hs": -0.14242390791575113, "repeats_pf": {"runs": 3, "values": [-1.9233, -1.8485, -2.0003], "mean": -1.924, "spread": 0.1518}, "repeats_hs": {"runs": 3, "values": [0.1745, -0.3221, -0.2796], "mean": -0.1424, "spread": 0.4966}, "at": 1788481677}, "tier": 1, "alerts": [], "total_sd": 1.44, "total_ci95": [69.174, 74.613], "relegate_reason": [], "submitted_at": 1788419609, "scored_at": 1788481677, "rank": 269}, {"candidate_id": "ODC-C88051", "res_at": 1788337605, "skeleton": "KXLXLUAXVSKLHS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FW-04-desF-pyridine", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 71.548, "axes": {"activity": 29.77, "binding": 15.1, "selectivity": 10.29, "admet": 5.13, "novelty": 7.36, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.386, "fraction": 0.992}, "binding": {"pIC50": 7.41, "LE": 0.282, "potency_term": 0.803, "efficiency_cap": 0.94}, "selectivity": {"fold": 19.1, "selectivity_term": 0.641, "target_engagement": 0.803}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.417, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.328, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.413, "herg": 0.275, "dili": 0.166}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.386011680388341, "aff_pf": -1.4096387227376301, "aff_hs": -0.12842962394158045, "repeats_pf": {"runs": 3, "values": [-1.3634, -1.4035, -1.462], "mean": -1.4096, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [0.0061, -0.4086, 0.0172], "mean": -0.1284, "spread": 0.4258}, "at": 1788337605}, "tier": 1, "alerts": [], "total_sd": 0.968, "total_ci95": [69.683, 73.386], "relegate_reason": [], "submitted_at": 1788337004, "scored_at": 1788337605, "rank": 270}, {"candidate_id": "ODC-5872FB", "res_at": 1786864197, "skeleton": "GBBMLVCDMJBUMB", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 71.535, "axes": {"activity": 21.09, "binding": 18.38, "selectivity": 17.56, "admet": 6.17, "novelty": 4.1, "synthesis": 4.23}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 7.76, "LE": 0.462, "potency_term": 0.919, "efficiency_cap": 1.0}, "selectivity": {"fold": 81.4, "selectivity_term": 0.955, "target_engagement": 0.919}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.341, "herg": 0.799, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.865289495843061, "aff_pf": -1.75759756565094, "aff_hs": 0.15285796175400415, "repeats_pf": {"runs": 3, "values": [-1.7432, -1.771, -1.7585], "mean": -1.7576, "spread": 0.0278}, "repeats_hs": {"runs": 3, "values": [0.1747, 0.1828, 0.1011], "mean": 0.1529, "spread": 0.0817}, "at": 1786864197}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856439, "scored_at": 1786864197, "alerts": [], "rank": 271}, {"candidate_id": "ODC-019673", "res_at": 1787902848, "skeleton": "CLGLOYWPTFISQF", "hf_user": "Ku-ku", "display_name": "KK-M-0828-P2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 71.499, "axes": {"activity": 26.28, "binding": 18.47, "selectivity": 11.76, "admet": 5.08, "novelty": 6.33, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 6.177, "fraction": 0.876}, "binding": {"pIC50": 7.77, "LE": 0.409, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.8, "selectivity_term": 0.637, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.536, "ld50-zhu": 0.494, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.176937357400607, "aff_pf": -1.770825942357381, "aff_hs": -0.49752702315648395, "repeats_pf": {"runs": 3, "values": [-1.6709, -1.8644, -1.7772], "mean": -1.7708, "spread": 0.1935}, "repeats_hs": {"runs": 3, "values": [-0.6226, -0.7176, -0.1524], "mean": -0.4975, "spread": 0.5652}, "at": 1787902848}, "tier": 1, "relegate_reason": [], "submitted_at": 1787893480, "scored_at": 1787902848, "alerts": [], "rank": 272}, {"candidate_id": "ODC-1DE943", "res_at": 1787026414, "skeleton": "KXRWHBXNVWBUNV", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 71.461, "axes": {"activity": 16.22, "binding": 19.73, "selectivity": 19.73, "admet": 6.15, "novelty": 5.26, "synthesis": 4.36}, "detail": {"activity": {"pAct_q10": 5.573, "fraction": 0.541}, "binding": {"pIC50": 7.96, "LE": 0.474, "potency_term": 0.987, "efficiency_cap": 1.0}, "selectivity": {"fold": 131.6, "selectivity_term": 1.0, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.975, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.111, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.573302050474336, "aff_pf": -1.9601014852523804, "aff_hs": 0.1590733826160431, "repeats_pf": {"runs": 3, "values": [-1.9864, -1.9251, -1.9688], "mean": -1.9601, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [0.1679, 0.1786, 0.1308], "mean": 0.1591, "spread": 0.0478}, "at": 1787026414}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025191, "scored_at": 1787026414, "alerts": [], "rank": 273}, {"candidate_id": "ODC-D525C4", "res_at": 1789425239, "skeleton": "WGWKNAPJBROMAJ", "hf_user": "Ku-ku", "display_name": "KK-M-0915-060", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 71.448, "axes": {"activity": 27.73, "binding": 18.49, "selectivity": 10.53, "admet": 5.23, "novelty": 6.08, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 6.264, "fraction": 0.924}, "binding": {"pIC50": 7.77, "LE": 0.394, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.966, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.362, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 6.264042059983795, "aff_pf": -1.7734833161036174, "aff_hs": -0.6339760025342306, "repeats_pf": {"runs": 3, "values": [-1.7726, -1.7792, -1.7686], "mean": -1.7735, "spread": 0.0106}, "repeats_hs": {"runs": 3, "values": [-0.7432, -0.5894, -0.5694], "mean": -0.634, "spread": 0.1738}, "at": 1789425239}, "tier": 1, "alerts": [], "total_sd": 0.459, "total_ci95": [70.437, 72.072], "relegate_reason": [], "submitted_at": 1789425034, "scored_at": 1789425239, "rank": 274}, {"candidate_id": "ODC-518E5C", "res_at": 1788219938, "skeleton": "NJZDRXILAHZALS", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········F)CC1", "total": 71.438, "axes": {"activity": 28.9, "binding": 12.54, "selectivity": 13.33, "admet": 6.28, "novelty": 6.78, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 6.334, "fraction": 0.963}, "binding": {"pIC50": 7.05, "LE": 0.276, "potency_term": 0.682, "efficiency_cap": 0.919}, "selectivity": {"fold": 90.1, "selectivity_term": 0.977, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.46, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.792, "herg": 0.05, "dili": 0.094}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 6.334262041516697, "aff_pf": -1.0454584956169128, "aff_hs": 0.9091133077939352, "repeats_pf": {"runs": 3, "values": [-1.1018, -1.0634, -0.9712], "mean": -1.0455, "spread": 0.1305}, "repeats_hs": {"runs": 3, "values": [1.0614, 0.7276, 0.9383], "mean": 0.9091, "spread": 0.3337}, "at": 1788219938}, "tier": 1, "alerts": [], "total_sd": 0.774, "total_ci95": [69.614, 72.572], "relegate_reason": [], "submitted_at": 1788219728, "scored_at": 1788219938, "rank": 275}, {"candidate_id": "ODC-98B58C", "res_at": 1787720282, "skeleton": "URCSVARNIMPVFO", "hf_user": "1Dmeds", "display_name": "ODC26-R2-15-OCHF2", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 71.394, "axes": {"activity": 19.07, "binding": 19.23, "selectivity": 17.68, "admet": 4.98, "novelty": 6.56, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.636}, "binding": {"pIC50": 7.88, "LE": 0.309, "potency_term": 0.961, "efficiency_cap": 1.0}, "selectivity": {"fold": 69.1, "selectivity_term": 0.92, "target_engagement": 0.961}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.744338362834807, "aff_pf": -1.8840336004892986, "aff_hs": -0.04475120889643828, "repeats_pf": {"runs": 3, "values": [-1.8737, -1.9289, -1.8495], "mean": -1.884, "spread": 0.0795}, "repeats_hs": {"runs": 3, "values": [0.0289, -0.1332, -0.03], "mean": -0.0448, "spread": 0.1621}, "at": 1787720282}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717429, "scored_at": 1787720282, "alerts": [], "rank": 276}, {"candidate_id": "ODC-734D5F", "res_at": 1789426322, "skeleton": "ALJISRKDJHIYQF", "hf_user": "Ku-ku", "display_name": "KK-M-0915-493", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1COC2", "total": 71.387, "axes": {"activity": 27.39, "binding": 17.39, "selectivity": 11.27, "admet": 5.75, "novelty": 6.04, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.244, "fraction": 0.913}, "binding": {"pIC50": 7.61, "LE": 0.417, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.471, "ld50-zhu": 0.45, "herg": 0.157, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.243608356935926, "aff_pf": -1.6082191069920857, "aff_hs": -0.3116057167450587, "repeats_pf": {"runs": 3, "values": [-1.6119, -1.5577, -1.655], "mean": -1.6082, "spread": 0.0973}, "repeats_hs": {"runs": 3, "values": [-0.0479, -0.5455, -0.3414], "mean": -0.3116, "spread": 0.4976}, "at": 1789426322}, "tier": 1, "alerts": [], "total_sd": 1.113, "total_ci95": [69.327, 73.488], "relegate_reason": [], "submitted_at": 1789425048, "scored_at": 1789426322, "rank": 277}, {"candidate_id": "ODC-9A8B34", "res_at": 1787637572, "skeleton": "MYFGKWDVOHVNTP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F10", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 71.379, "axes": {"activity": 29.68, "binding": 15.36, "selectivity": 10.75, "admet": 4.62, "novelty": 7.03, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.381, "fraction": 0.989}, "binding": {"pIC50": 7.39, "LE": 0.289, "potency_term": 0.796, "efficiency_cap": 0.964}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.362, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.075, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.3809213439929815, "aff_pf": -1.3891599973042805, "aff_hs": -0.03904125094413757, "repeats_pf": {"runs": 3, "values": [-1.1915, -1.5678, -1.4082], "mean": -1.3892, "spread": 0.3763}, "repeats_hs": {"runs": 3, "values": [-0.0013, 0.0378, -0.1536], "mean": -0.039, "spread": 0.1914}, "at": 1787637572}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635237, "scored_at": 1787637572, "alerts": [], "rank": 278}, {"candidate_id": "ODC-ED06AC", "res_at": 1787733104, "skeleton": "YLTIPAYJBAJBDY", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5OMe-YF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 71.379, "axes": {"activity": 30.0, "binding": 17.67, "selectivity": 8.4, "admet": 4.07, "novelty": 7.09, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 6.479, "fraction": 1.0}, "binding": {"pIC50": 7.65, "LE": 0.308, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.593, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 6.4786946560100365, "aff_pf": -1.6504000027974446, "aff_hs": -0.6999452511469523, "repeats_pf": {"runs": 3, "values": [-1.6445, -1.6447, -1.662], "mean": -1.6504, "spread": 0.0175}, "repeats_hs": {"runs": 3, "values": [-0.6091, -0.673, -0.8178], "mean": -0.6999, "spread": 0.2087}, "at": 1787733104}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728402, "scored_at": 1787733104, "alerts": [], "rank": 279}, {"candidate_id": "ODC-68C2CA", "res_at": 1787444639, "skeleton": "CQNSAPUMTMJXPC", "hf_user": "Ku-ku", "display_name": "KK-M-0823-03", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 71.367, "axes": {"activity": 28.83, "binding": 17.21, "selectivity": 10.11, "admet": 5.61, "novelty": 5.43, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.33, "fraction": 0.961}, "binding": {"pIC50": 7.58, "LE": 0.433, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.894, "ld50-zhu": 0.309, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 6.330096147768534, "aff_pf": -1.5808455149332683, "aff_hs": -0.40516958634058636, "repeats_pf": {"runs": 3, "values": [-1.6095, -1.5647, -1.5684], "mean": -1.5808, "spread": 0.0448}, "repeats_hs": {"runs": 3, "values": [-0.3986, -0.3625, -0.4544], "mean": -0.4052, "spread": 0.0919}, "at": 1787444639}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443749, "scored_at": 1787444639, "alerts": [], "rank": 280}, {"candidate_id": "ODC-B0BC30", "res_at": 1789386497, "skeleton": "DHGKZDLRFAEAAJ", "hf_user": "Ku-ku", "display_name": "KK-M-0914-093", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 71.362, "axes": {"activity": 14.25, "binding": 18.82, "selectivity": 18.82, "admet": 9.51, "novelty": 6.74, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.82, "LE": 0.447, "potency_term": 0.941, "efficiency_cap": 1.0}, "selectivity": {"fold": 128.7, "selectivity_term": 1.0, "target_engagement": 0.941}, "admet": {"geometric_mean": 0.674, "per_endpoint": {"solubility-aqsoldb": 0.672, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.751, "cyp3a4-substrate-carbonmangels": 0.546, "ld50-zhu": 0.444, "herg": 0.852, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "0", "pAct_q10": 5.4550457137478165, "aff_pf": -1.8223878145217896, "aff_hs": 0.287116418282191, "repeats_pf": {"runs": 3, "values": [-1.8192, -1.7808, -1.8671], "mean": -1.8224, "spread": 0.0863}, "repeats_hs": {"runs": 3, "values": [0.3395, 0.1814, 0.3405], "mean": 0.2871, "spread": 0.159}, "at": 1789386497}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.44, "total_ci95": [70.521, 72.267], "relegate_reason": [], "submitted_at": 1789381705, "scored_at": 1789386497, "rank": 281}, {"candidate_id": "ODC-DEE5F6", "res_at": 1788309283, "skeleton": "HISJMIAZSCBUAF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-A-spiro-C3-sp8-F", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 71.353, "axes": {"activity": 29.79, "binding": 12.98, "selectivity": 13.27, "admet": 4.22, "novelty": 7.13, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.387, "fraction": 0.993}, "binding": {"pIC50": 7.24, "LE": 0.261, "potency_term": 0.746, "efficiency_cap": 0.87}, "selectivity": {"fold": 60.0, "selectivity_term": 0.889, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.558, "herg": 0.088, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.38738399348673, "aff_pf": -1.2385955651601155, "aff_hs": 0.5393252472082773, "repeats_pf": {"runs": 3, "values": [-1.2676, -1.1716, -1.2765], "mean": -1.2386, "spread": 0.1049}, "repeats_hs": {"runs": 3, "values": [0.6646, 0.5114, 0.442], "mean": 0.5393, "spread": 0.2225}, "at": 1788309283}, "tier": 1, "alerts": [], "total_sd": 0.747, "total_ci95": [69.966, 72.654], "relegate_reason": [], "submitted_at": 1788302106, "scored_at": 1788309283, "rank": 282}, {"candidate_id": "ODC-50A84D", "res_at": 1788095873, "skeleton": "MGXWVTPCGVCZDZ", "hf_user": "Ku-ku", "display_name": "KK-M-0830-320", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 71.32, "axes": {"activity": 30.0, "binding": 13.21, "selectivity": 13.21, "admet": 4.95, "novelty": 6.76, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 6.413, "fraction": 1.0}, "binding": {"pIC50": 6.98, "LE": 0.342, "potency_term": 0.661, "efficiency_cap": 1.0}, "selectivity": {"fold": 118.3, "selectivity_term": 1.0, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.095, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.969, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.668, "ld50-zhu": 0.472, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 6.412964225983119, "aff_pf": -0.9819154342015585, "aff_hs": 1.0911534229914348, "repeats_pf": {"runs": 3, "values": [-0.9844, -0.9645, -0.9969], "mean": -0.9819, "spread": 0.0324}, "repeats_hs": {"runs": 3, "values": [1.1252, 1.1976, 0.9506], "mean": 1.0912, "spread": 0.247}, "at": 1788095873}, "tier": 1, "alerts": [], "total_sd": 0.137, "total_ci95": [70.874, 71.519], "relegate_reason": [], "submitted_at": 1788092650, "scored_at": 1788095873, "rank": 283}, {"candidate_id": "ODC-000E59", "res_at": 1789884257, "skeleton": "VJFOPKWOSHDMRH", "hf_user": "Ku-ku", "display_name": "KK-M-0917-444", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 71.309, "axes": {"activity": 14.37, "binding": 19.73, "selectivity": 16.19, "admet": 10.83, "novelty": 6.67, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 7.96, "LE": 0.474, "potency_term": 0.987, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.7, "selectivity_term": 0.82, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.732, "per_endpoint": {"solubility-aqsoldb": 0.629, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.712, "cyp3a4-substrate-carbonmangels": 0.978, "ld50-zhu": 0.461, "herg": 0.487, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 5.462354214676312, "aff_pf": -1.9599772691726685, "aff_hs": -0.31958235800266266, "repeats_pf": {"runs": 3, "values": [-1.9376, -1.948, -1.9943], "mean": -1.96, "spread": 0.0567}, "repeats_hs": {"runs": 3, "values": [-0.1163, -0.4873, -0.3551], "mean": -0.3196, "spread": 0.371}, "at": 1789884257}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.012, "total_ci95": [69.647, 73.418], "relegate_reason": [], "submitted_at": 1789652086, "scored_at": 1789884257, "rank": 284}, {"candidate_id": "ODC-C052C6", "res_at": 1788919320, "skeleton": "SSWHTVPSYLMFIO", "hf_user": "Ku-ku", "display_name": "KK-M-0909-025", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 71.294, "axes": {"activity": 27.55, "binding": 16.51, "selectivity": 12.29, "admet": 4.96, "novelty": 6.79, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 6.253, "fraction": 0.918}, "binding": {"pIC50": 7.48, "LE": 0.366, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.8, "selectivity_term": 0.745, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.199, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 6.252911622675581, "aff_pf": -1.4764714638392131, "aff_hs": 0.012581725915273031, "repeats_pf": {"runs": 3, "values": [-1.5041, -1.4813, -1.4441], "mean": -1.4765, "spread": 0.0601}, "repeats_hs": {"runs": 3, "values": [-0.0764, 0.4012, -0.287], "mean": 0.0126, "spread": 0.6882}, "at": 1788919320}, "tier": 1, "alerts": [], "total_sd": 1.376, "total_ci95": [68.821, 74.503], "relegate_reason": [], "submitted_at": 1788905393, "scored_at": 1788919320, "rank": 285}, {"candidate_id": "ODC-F1D49E", "res_at": 1787643618, "skeleton": "MNWGJGOWJKHRAU", "hf_user": "1Dmeds", "display_name": "ODC26-V2-spiroC7", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 71.215, "axes": {"activity": 29.21, "binding": 14.0, "selectivity": 12.52, "admet": 4.54, "novelty": 7.05, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.352, "fraction": 0.974}, "binding": {"pIC50": 7.37, "LE": 0.266, "potency_term": 0.79, "efficiency_cap": 0.886}, "selectivity": {"fold": 38.4, "selectivity_term": 0.792, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.375, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.624, "herg": 0.231, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.35243578366103, "aff_pf": -1.3707654078801472, "aff_hs": 0.21370942145586014, "repeats_pf": {"runs": 3, "values": [-1.4043, -1.3462, -1.3618], "mean": -1.3708, "spread": 0.0581}, "repeats_hs": {"runs": 3, "values": [0.3455, 0.3412, -0.0456], "mean": 0.2137, "spread": 0.3911}, "at": 1787643618}, "tier": 1, "relegate_reason": [], "submitted_at": 1787639837, "scored_at": 1787643618, "alerts": [], "rank": 286}, {"candidate_id": "ODC-3C0239", "res_at": 1787037499, "skeleton": "USCCUHWEVYZQPM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 71.209, "axes": {"activity": 30.0, "binding": 14.54, "selectivity": 11.76, "admet": 3.53, "novelty": 7.27, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.457, "fraction": 1.0}, "binding": {"pIC50": 7.39, "LE": 0.274, "potency_term": 0.797, "efficiency_cap": 0.912}, "selectivity": {"fold": 29.9, "selectivity_term": 0.738, "target_engagement": 0.797}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 0.82, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.591, "herg": 0.078, "dili": 0.08}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.457419184107615, "aff_pf": -1.391073226928711, "aff_hs": 0.08412688287595908, "repeats_pf": {"runs": 3, "values": [-1.285, -1.4928, -1.3954], "mean": -1.3911, "spread": 0.2078}, "repeats_hs": {"runs": 3, "values": [0.2031, 0.0533, -0.004], "mean": 0.0841, "spread": 0.2072}, "at": 1787037499}, "tier": 1, "relegate_reason": [], "submitted_at": 1787034899, "scored_at": 1787037499, "alerts": [], "rank": 287}, {"candidate_id": "ODC-996CCA", "res_at": 1787244436, "skeleton": "WGSPKSXNPDWWTP", "hf_user": "1Dmeds", "display_name": "ODC26-R15-07", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 71.194, "axes": {"activity": 21.38, "binding": 17.77, "selectivity": 17.55, "admet": 6.14, "novelty": 4.51, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.883, "fraction": 0.713}, "binding": {"pIC50": 7.66, "LE": 0.438, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 94.5, "selectivity_term": 0.988, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.153, "ld50-zhu": 0.359, "herg": 0.928, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.882852181444354, "aff_pf": -1.6649552186330159, "aff_hs": 0.31030023097991943, "repeats_pf": {"runs": 3, "values": [-1.6315, -1.6545, -1.7089], "mean": -1.665, "spread": 0.0774}, "repeats_hs": {"runs": 3, "values": [0.3549, 0.283, 0.293], "mean": 0.3103, "spread": 0.0719}, "at": 1787244436}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238543, "scored_at": 1787244436, "alerts": [], "rank": 288}, {"candidate_id": "ODC-1AF28A", "res_at": 1787580509, "skeleton": "FDOBIGRCHLUNEK", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4B", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(O··········1CCC2", "total": 71.17, "axes": {"activity": 27.69, "binding": 16.61, "selectivity": 10.21, "admet": 5.71, "novelty": 7.23, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 6.261, "fraction": 0.923}, "binding": {"pIC50": 7.49, "LE": 0.411, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.615, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.455, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.216, "novelty": 0.784}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.261157848509579, "aff_pf": -1.4910817543665569, "aff_hs": -0.2609112610419591, "repeats_pf": {"runs": 3, "values": [-1.4865, -1.4428, -1.544], "mean": -1.4911, "spread": 0.1012}, "repeats_hs": {"runs": 3, "values": [-0.2548, -0.3679, -0.16], "mean": -0.2609, "spread": 0.2079}, "at": 1787580509}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578597, "scored_at": 1787580509, "alerts": [], "rank": 289}, {"candidate_id": "ODC-01667C", "res_at": 1787223794, "skeleton": "CTLPYPKLGUFRLC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c1Br", "total": 71.166, "axes": {"activity": 24.55, "binding": 17.17, "selectivity": 14.16, "admet": 6.56, "novelty": 5.38, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 6.073, "fraction": 0.818}, "binding": {"pIC50": 7.57, "LE": 0.415, "potency_term": 0.858, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.7, "selectivity_term": 0.825, "target_engagement": 0.858}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.527, "herg": 0.762, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.072975999089587, "aff_pf": -1.5749730269114177, "aff_hs": 0.07493487000465393, "repeats_pf": {"runs": 3, "values": [-1.4899, -1.6058, -1.6292], "mean": -1.575, "spread": 0.1392}, "repeats_hs": {"runs": 3, "values": [0.0339, 0.1639, 0.027], "mean": 0.0749, "spread": 0.1369}, "at": 1787223794}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220796, "scored_at": 1787223794, "alerts": [], "rank": 290}, {"candidate_id": "ODC-D79D1F", "res_at": 1787659397, "skeleton": "IPGHXUFUEUQAGG", "hf_user": "Ku-ku", "display_name": "KK-M-0825-11", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 71.095, "axes": {"activity": 25.06, "binding": 18.87, "selectivity": 9.42, "admet": 7.36, "novelty": 6.29, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.104, "fraction": 0.835}, "binding": {"pIC50": 7.83, "LE": 0.447, "potency_term": 0.944, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.499, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.635, "cyp3a4-substrate-carbonmangels": 0.794, "ld50-zhu": 0.469, "herg": 0.134, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 6.103857495231817, "aff_pf": -1.830567479133606, "aff_hs": -0.8320557475090027, "repeats_pf": {"runs": 3, "values": [-1.8432, -1.8451, -1.8034], "mean": -1.8306, "spread": 0.0418}, "repeats_hs": {"runs": 3, "values": [-0.9319, -0.7867, -0.7775], "mean": -0.8321, "spread": 0.1544}, "at": 1787659397}, "tier": 1, "relegate_reason": [], "submitted_at": 1787659190, "scored_at": 1787659397, "alerts": [], "rank": 291}, {"candidate_id": "ODC-B16BF6", "res_at": 1787168603, "skeleton": "NPBVPXCXULCLRT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 71.06, "axes": {"activity": 24.9, "binding": 17.76, "selectivity": 13.79, "admet": 4.51, "novelty": 6.71, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 6.094, "fraction": 0.83}, "binding": {"pIC50": 7.72, "LE": 0.294, "potency_term": 0.907, "efficiency_cap": 0.979}, "selectivity": {"fold": 33.2, "selectivity_term": 0.76, "target_engagement": 0.907}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.624, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.778, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.094128674253043, "aff_pf": -1.7202379703521729, "aff_hs": -0.19965045154094696, "repeats_pf": {"runs": 3, "values": [-1.6007, -1.8273, -1.7327], "mean": -1.7202, "spread": 0.2266}, "repeats_hs": {"runs": 3, "values": [-0.3276, -0.1119, -0.1594], "mean": -0.1997, "spread": 0.2157}, "at": 1787168603}, "tier": 1, "relegate_reason": [], "submitted_at": 1787161973, "scored_at": 1787168603, "alerts": [], "rank": 292}, {"candidate_id": "ODC-FBA5DE", "res_at": 1788082681, "skeleton": "XRZLQBIAPSKYIY", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········l)CC1", "total": 71.057, "axes": {"activity": 27.99, "binding": 14.72, "selectivity": 14.41, "admet": 3.71, "novelty": 6.37, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.28, "fraction": 0.933}, "binding": {"pIC50": 7.26, "LE": 0.293, "potency_term": 0.754, "efficiency_cap": 0.976}, "selectivity": {"fold": 81.3, "selectivity_term": 0.955, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.36, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.243}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 6.2796814790492785, "aff_pf": -1.26326318581899, "aff_hs": 0.6466025710105896, "repeats_pf": {"runs": 3, "values": [-1.3282, -1.1593, -1.3023], "mean": -1.2633, "spread": 0.169}, "repeats_hs": {"runs": 3, "values": [0.6996, 0.6034, 0.6368], "mean": 0.6466, "spread": 0.0962}, "at": 1788082681}, "tier": 1, "alerts": [], "total_sd": 1.02, "total_ci95": [68.77, 72.582], "relegate_reason": [], "submitted_at": 1788065988, "scored_at": 1788082681, "rank": 293}, {"candidate_id": "ODC-78A2AD", "res_at": 1787657574, "skeleton": "LVZOVYHZJSRRAF", "hf_user": "Ku-ku", "display_name": "KK-M-0825-04", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 71.048, "axes": {"activity": 27.45, "binding": 18.45, "selectivity": 8.73, "admet": 6.64, "novelty": 6.01, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.247, "fraction": 0.915}, "binding": {"pIC50": 7.77, "LE": 0.426, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.484, "herg": 0.16, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.246787928097727, "aff_pf": -1.7673796812693279, "aff_hs": -0.8213165203730265, "repeats_pf": {"runs": 3, "values": [-1.7624, -1.7651, -1.7746], "mean": -1.7674, "spread": 0.0122}, "repeats_hs": {"runs": 3, "values": [-1.0213, -0.7722, -0.6704], "mean": -0.8213, "spread": 0.3509}, "at": 1787657574}, "tier": 1, "relegate_reason": [], "submitted_at": 1787656829, "scored_at": 1787657574, "alerts": [], "rank": 294}, {"candidate_id": "ODC-4CA5CB", "res_at": 1786934861, "skeleton": "QZSQYGVIRSCKCT", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 71.046, "axes": {"activity": 30.0, "binding": 16.68, "selectivity": 8.48, "admet": 4.79, "novelty": 6.71, "synthesis": 4.38}, "detail": {"activity": {"pAct_q10": 6.538, "fraction": 1.0}, "binding": {"pIC50": 7.5, "LE": 0.321, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.453, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.592, "herg": 0.213, "dili": 0.208}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 6.537700661927733, "aff_pf": -1.5016220410664876, "aff_hs": -0.48420826097329456, "repeats_pf": {"runs": 3, "values": [-1.4883, -1.4711, -1.5454], "mean": -1.5016, "spread": 0.0743}, "repeats_hs": {"runs": 3, "values": [-0.5997, -0.1645, -0.6884], "mean": -0.4842, "spread": 0.5239}, "at": 1786934861}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926502, "scored_at": 1786934861, "alerts": [], "rank": 295}, {"candidate_id": "ODC-DF9B57", "res_at": 1788358505, "skeleton": "RIVKIWBGCGZFII", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)NC··········CCCC1", "total": 71.02, "axes": {"activity": 28.23, "binding": 15.86, "selectivity": 12.37, "admet": 4.26, "novelty": 6.59, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.294, "fraction": 0.941}, "binding": {"pIC50": 7.5, "LE": 0.285, "potency_term": 0.834, "efficiency_cap": 0.952}, "selectivity": {"fold": 30.5, "selectivity_term": 0.742, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.749, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.293693477401914, "aff_pf": -1.5009755690892537, "aff_hs": -0.017045517762502033, "repeats_pf": {"runs": 3, "values": [-1.5662, -1.4931, -1.4436], "mean": -1.501, "spread": 0.1226}, "repeats_hs": {"runs": 3, "values": [0.0425, -0.034, -0.0596], "mean": -0.017, "spread": 0.1021}, "at": 1788358505}, "tier": 1, "alerts": [], "total_sd": 0.623, "total_ci95": [69.994, 72.204], "relegate_reason": [], "submitted_at": 1788358174, "scored_at": 1788358505, "rank": 296}, {"candidate_id": "ODC-35D498", "res_at": 1788298694, "skeleton": "IHSPGJBHKNYZGQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-D-long-cpa-n-C7-heptyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········N)CC1", "total": 71.012, "axes": {"activity": 30.0, "binding": 12.97, "selectivity": 13.02, "admet": 3.86, "novelty": 7.21, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.455, "fraction": 1.0}, "binding": {"pIC50": 7.24, "LE": 0.261, "potency_term": 0.746, "efficiency_cap": 0.87}, "selectivity": {"fold": 55.7, "selectivity_term": 0.873, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.104, "caco2-wang": 0.101, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.594, "herg": 0.31, "dili": 0.203}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.454732273375689, "aff_pf": -1.2375913461049397, "aff_hs": 0.5081154902776083, "repeats_pf": {"runs": 3, "values": [-1.466, -1.0401, -1.2066], "mean": -1.2376, "spread": 0.4259}, "repeats_hs": {"runs": 3, "values": [0.2803, 0.4298, 0.8142], "mean": 0.5081, "spread": 0.5339}, "at": 1788298694}, "tier": 1, "alerts": [], "total_sd": 2.328, "total_ci95": [67.052, 75.994], "relegate_reason": [], "submitted_at": 1788271724, "scored_at": 1788298694, "rank": 297}, {"candidate_id": "ODC-4CFDB3", "res_at": 1788166961, "skeleton": "MEAYRSIRHXXRQX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-A07", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········F)CC1", "total": 70.973, "axes": {"activity": 28.91, "binding": 19.94, "selectivity": 5.85, "admet": 5.08, "novelty": 7.16, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.334, "fraction": 0.964}, "binding": {"pIC50": 8.08, "LE": 0.299, "potency_term": 1.0, "efficiency_cap": 0.997}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.416, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.334499306131463, "aff_pf": -2.0789488156636557, "aff_hs": -1.4943541288375854, "repeats_pf": {"runs": 3, "values": [-2.0889, -2.03, -2.118], "mean": -2.0789, "spread": 0.088}, "repeats_hs": {"runs": 3, "values": [-1.6142, -1.3595, -1.5093], "mean": -1.4944, "spread": 0.2548}, "at": 1788166961}, "tier": 1, "alerts": [], "total_sd": 0.6, "total_ci95": [69.765, 71.966], "relegate_reason": [], "submitted_at": 1788165623, "scored_at": 1788166961, "rank": 298}, {"candidate_id": "ODC-55E326", "res_at": 1787080173, "skeleton": "SMUBUBAENNEMLP", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCC1C", "total": 70.962, "axes": {"activity": 25.92, "binding": 19.38, "selectivity": 12.13, "admet": 4.27, "novelty": 6.34, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 6.155, "fraction": 0.864}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.9, "selectivity_term": 0.626, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 0.941, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.28, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "2", "pAct_q10": 6.155259101607127, "aff_pf": -1.9064675569534302, "aff_hs": -0.6544162531693777, "repeats_pf": {"runs": 3, "values": [-1.9728, -1.8442, -1.9025], "mean": -1.9065, "spread": 0.1286}, "repeats_hs": {"runs": 3, "values": [-0.9451, -0.3704, -0.6478], "mean": -0.6544, "spread": 0.5747}, "at": 1787080173}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069299, "scored_at": 1787080173, "alerts": [], "rank": 299}, {"candidate_id": "ODC-9D682E", "res_at": 1787503488, "skeleton": "OJLXFCGMFMJTTQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········C)CC1", "total": 70.959, "axes": {"activity": 27.81, "binding": 20.0, "selectivity": 6.96, "admet": 5.11, "novelty": 7.02, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.269, "fraction": 0.927}, "binding": {"pIC50": 8.08, "LE": 0.308, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.386, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.692, "herg": 0.173, "dili": 0.275}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.268732714313118, "aff_pf": -2.0849427382151284, "aff_hs": -1.388914664586385, "repeats_pf": {"runs": 3, "values": [-2.1535, -1.9896, -2.1117], "mean": -2.0849, "spread": 0.1639}, "repeats_hs": {"runs": 3, "values": [-1.456, -1.257, -1.4537], "mean": -1.3889, "spread": 0.1991}, "at": 1787503488}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497682, "scored_at": 1787503488, "alerts": [], "rank": 300}, {"candidate_id": "ODC-ABA3BC", "res_at": 1788309724, "skeleton": "NYPBVIBHJBBOKY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-C-Y-C3-sp7-CH2F", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 70.938, "axes": {"activity": 29.22, "binding": 14.61, "selectivity": 11.99, "admet": 4.4, "novelty": 7.05, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.353, "fraction": 0.974}, "binding": {"pIC50": 7.45, "LE": 0.269, "potency_term": 0.816, "efficiency_cap": 0.895}, "selectivity": {"fold": 29.5, "selectivity_term": 0.735, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.485, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.12}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 6.353096884470653, "aff_pf": -1.448793927828471, "aff_hs": 0.02054267128308614, "repeats_pf": {"runs": 3, "values": [-1.5365, -1.2975, -1.5124], "mean": -1.4488, "spread": 0.239}, "repeats_hs": {"runs": 3, "values": [0.1793, 0.0341, -0.1518], "mean": 0.0205, "spread": 0.3311}, "at": 1788309724}, "tier": 1, "alerts": [], "total_sd": 1.48, "total_ci95": [68.228, 73.567], "relegate_reason": [], "submitted_at": 1788302124, "scored_at": 1788309724, "rank": 301}, {"candidate_id": "ODC-014EA4", "res_at": 1788475019, "skeleton": "GPAUOEDJNIZYES", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R160-05", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 70.873, "axes": {"activity": 20.34, "binding": 18.21, "selectivity": 18.21, "admet": 4.06, "novelty": 6.6, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.82, "fraction": 0.678}, "binding": {"pIC50": 7.73, "LE": 0.303, "potency_term": 0.91, "efficiency_cap": 1.0}, "selectivity": {"fold": 510.8, "selectivity_term": 1.0, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.476, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.161}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.8202200845597245, "aff_pf": -1.7312790950139363, "aff_hs": 0.9770086407661438, "repeats_pf": {"runs": 3, "values": [-1.6559, -1.7765, -1.7615], "mean": -1.7313, "spread": 0.1206}, "repeats_hs": {"runs": 3, "values": [0.93, 1.1556, 0.8455], "mean": 0.977, "spread": 0.3101}, "at": 1788475019}, "tier": 1, "alerts": [], "total_sd": 0.565, "total_ci95": [69.444, 71.709], "relegate_reason": [], "submitted_at": 1788414279, "scored_at": 1788475019, "rank": 302}, {"candidate_id": "ODC-988008", "res_at": 1788541533, "skeleton": "QQTPHRVNPBNDKJ", "hf_user": "Ku-ku", "display_name": "KK-M-0904-993", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 70.773, "axes": {"activity": 30.0, "binding": 13.53, "selectivity": 11.38, "admet": 5.09, "novelty": 6.85, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 6.461, "fraction": 1.0}, "binding": {"pIC50": 7.03, "LE": 0.332, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.1, "selectivity_term": 0.841, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.441, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.692, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.4609490955797275, "aff_pf": -1.029728889465332, "aff_hs": 0.6520591378211975, "repeats_pf": {"runs": 3, "values": [-1.0396, -1.024, -1.0256], "mean": -1.0297, "spread": 0.0157}, "repeats_hs": {"runs": 3, "values": [0.5269, 0.5836, 0.8456], "mean": 0.6521, "spread": 0.3186}, "at": 1788541533}, "tier": 1, "alerts": [], "total_sd": 0.568, "total_ci95": [69.957, 72.185], "relegate_reason": [], "submitted_at": 1788502598, "scored_at": 1788541533, "rank": 303}, {"candidate_id": "ODC-FBBA0F", "res_at": 1788216037, "skeleton": "JACBLCBLCWPGMR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 70.769, "axes": {"activity": 18.64, "binding": 18.52, "selectivity": 19.09, "admet": 5.05, "novelty": 6.14, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.718, "fraction": 0.621}, "binding": {"pIC50": 7.86, "LE": 0.291, "potency_term": 0.954, "efficiency_cap": 0.97}, "selectivity": {"fold": 257.7, "selectivity_term": 1.0, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.421, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.394, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.883, "herg": 0.05, "dili": 0.255}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 5.718141979157395, "aff_pf": -1.8629887104034424, "aff_hs": 0.5481031437714895, "repeats_pf": {"runs": 3, "values": [-1.8958, -1.821, -1.8722], "mean": -1.863, "spread": 0.0748}, "repeats_hs": {"runs": 3, "values": [0.6946, 0.5893, 0.3604], "mean": 0.5481, "spread": 0.3343}, "at": 1788216037}, "tier": 1, "alerts": [], "total_sd": 0.433, "total_ci95": [69.83, 71.506], "relegate_reason": [], "submitted_at": 1788215012, "scored_at": 1788216037, "rank": 304}, {"candidate_id": "ODC-31373E", "res_at": 1787672621, "skeleton": "CNGCEQUQWRGGQA", "hf_user": "Ku-ku", "display_name": "KK-M-0826-01", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········[Se]2", "total": 70.747, "axes": {"activity": 26.08, "binding": 16.62, "selectivity": 11.78, "admet": 7.75, "novelty": 5.8, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 6.165, "fraction": 0.869}, "binding": {"pIC50": 7.49, "LE": 0.411, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.1, "selectivity_term": 0.709, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.641, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.603, "herg": 0.852, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "3", "pAct_q10": 6.164871261659052, "aff_pf": -1.4931981166203816, "aff_hs": -0.07603662709395091, "repeats_pf": {"runs": 3, "values": [-1.5199, -1.5167, -1.443], "mean": -1.4932, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [-0.0335, 0.0318, -0.2264], "mean": -0.076, "spread": 0.2582}, "at": 1787672621}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787672419, "scored_at": 1787672621, "rank": 305}, {"candidate_id": "ODC-4E9D03", "res_at": 1788546118, "skeleton": "IQUNPVYRWKEIIB", "hf_user": "1Dmeds", "display_name": "ODC26-S1D07", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 70.742, "axes": {"activity": 30.0, "binding": 12.26, "selectivity": 12.33, "admet": 5.0, "novelty": 7.25, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.56, "fraction": 1.0}, "binding": {"pIC50": 7.14, "LE": 0.257, "potency_term": 0.714, "efficiency_cap": 0.858}, "selectivity": {"fold": 53.2, "selectivity_term": 0.863, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.374, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.559593745601038, "aff_pf": -1.1422371069590251, "aff_hs": 0.5837935209274292, "repeats_pf": {"runs": 3, "values": [-1.1923, -1.0505, -1.1839], "mean": -1.1422, "spread": 0.1418}, "repeats_hs": {"runs": 3, "values": [0.6375, 0.5848, 0.5292], "mean": 0.5838, "spread": 0.1083}, "at": 1788546118}, "tier": 1, "alerts": [], "total_sd": 0.807, "total_ci95": [69.039, 71.976], "relegate_reason": [], "submitted_at": 1788517773, "scored_at": 1788546118, "rank": 306}, {"candidate_id": "ODC-6395EA", "res_at": 1788581508, "skeleton": "SAWTUECTPBAUPF", "hf_user": "1Dmeds", "display_name": "ODC26-S1D29", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 70.739, "axes": {"activity": 29.75, "binding": 13.39, "selectivity": 12.06, "admet": 4.65, "novelty": 6.97, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.385, "fraction": 0.992}, "binding": {"pIC50": 7.15, "LE": 0.28, "potency_term": 0.717, "efficiency_cap": 0.933}, "selectivity": {"fold": 47.9, "selectivity_term": 0.84, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.377, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.384893353456397, "aff_pf": -1.1517411867777507, "aff_hs": 0.5289959410826365, "repeats_pf": {"runs": 3, "values": [-1.1139, -1.2589, -1.0825], "mean": -1.1517, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [0.4087, 0.6673, 0.5111], "mean": 0.529, "spread": 0.2586}, "at": 1788581508}, "tier": 1, "alerts": [], "total_sd": 1.053, "total_ci95": [68.926, 72.617], "relegate_reason": [], "submitted_at": 1788555570, "scored_at": 1788581508, "rank": 307}, {"candidate_id": "ODC-5878CA", "res_at": 1788083528, "skeleton": "XNFJLPLUAFZFQQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 70.721, "axes": {"activity": 30.0, "binding": 19.26, "selectivity": 6.47, "admet": 3.72, "novelty": 7.17, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.514, "fraction": 1.0}, "binding": {"pIC50": 8.01, "LE": 0.289, "potency_term": 1.0, "efficiency_cap": 0.963}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 0.883, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.237, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.095, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 6.514388484422623, "aff_pf": -2.0143839518229165, "aff_hs": -1.3669227759043376, "repeats_pf": {"runs": 3, "values": [-2.0635, -1.9221, -2.0575], "mean": -2.0144, "spread": 0.1414}, "repeats_hs": {"runs": 3, "values": [-1.4632, -1.3209, -1.3166], "mean": -1.3669, "spread": 0.1466}, "at": 1788083528}, "tier": 1, "alerts": [], "total_sd": 0.653, "total_ci95": [69.378, 71.78], "relegate_reason": [], "submitted_at": 1788069705, "scored_at": 1788083528, "rank": 308}, {"candidate_id": "ODC-FD6C73", "res_at": 1787018748, "skeleton": "GRQSVELZDZMZGP", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········)CCC1", "total": 70.715, "axes": {"activity": 15.33, "binding": 20.0, "selectivity": 20.0, "admet": 5.39, "novelty": 5.64, "synthesis": 4.35}, "detail": {"activity": {"pAct_q10": 5.52, "fraction": 0.511}, "binding": {"pIC50": 8.02, "LE": 0.314, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 100.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.435, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.32}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.519982478037385, "aff_pf": -2.0235785643259683, "aff_hs": -0.021723701308170956, "repeats_pf": {"runs": 3, "values": [-2.029, -2.0411, -2.0006], "mean": -2.0236, "spread": 0.0404}, "repeats_hs": {"runs": 3, "values": [-0.0327, 0.0002, -0.0327], "mean": -0.0217, "spread": 0.033}, "at": 1787018748}, "tier": 1, "relegate_reason": [], "submitted_at": 1787018566, "scored_at": 1787018748, "alerts": [], "rank": 309}, {"candidate_id": "ODC-22BE5F", "res_at": 1787081085, "skeleton": "YJXKZXZDZSXNQK", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCC1F", "total": 70.703, "axes": {"activity": 24.85, "binding": 18.65, "selectivity": 14.53, "admet": 3.95, "novelty": 6.07, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 6.091, "fraction": 0.828}, "binding": {"pIC50": 7.8, "LE": 0.305, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.2, "selectivity_term": 0.779, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 0.966, "pgp-broccatelli": 0.058, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.708, "herg": 0.246, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "3", "pAct_q10": 6.090840287852449, "aff_pf": -1.797289292017619, "aff_hs": -0.23867028951644897, "repeats_pf": {"runs": 3, "values": [-1.8677, -1.7555, -1.7687], "mean": -1.7973, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [-0.1699, -0.4442, -0.1019], "mean": -0.2387, "spread": 0.3422}, "at": 1787081085}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069187, "scored_at": 1787081085, "alerts": [], "rank": 310}, {"candidate_id": "ODC-9A8BD8", "res_at": 1787061876, "skeleton": "ORPXILCPLAFWOW", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 70.644, "axes": {"activity": 19.65, "binding": 19.08, "selectivity": 18.12, "admet": 3.63, "novelty": 6.13, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 5.779, "fraction": 0.655}, "binding": {"pIC50": 7.86, "LE": 0.308, "potency_term": 0.954, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.2, "selectivity_term": 0.949, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.779044576344719, "aff_pf": -1.8626255591710408, "aff_hs": 0.03616435080766678, "repeats_pf": {"runs": 3, "values": [-1.9272, -1.8053, -1.8554], "mean": -1.8626, "spread": 0.1219}, "repeats_hs": {"runs": 3, "values": [0.0667, 0.1594, -0.1176], "mean": 0.0362, "spread": 0.277}, "at": 1787061876}, "tier": 1, "relegate_reason": [], "submitted_at": 1787061000, "scored_at": 1787061876, "alerts": [], "rank": 311}, {"candidate_id": "ODC-A0D612", "res_at": 1787718398, "skeleton": "HLTRBJKUOFVDDO", "hf_user": "1Dmeds", "display_name": "ODC26-R2-05-coreR6F", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 70.636, "axes": {"activity": 30.0, "binding": 11.83, "selectivity": 12.62, "admet": 4.84, "novelty": 7.47, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.59, "fraction": 1.0}, "binding": {"pIC50": 7.0, "LE": 0.266, "potency_term": 0.666, "efficiency_cap": 0.888}, "selectivity": {"fold": 78.5, "selectivity_term": 0.947, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.14, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.590000324343101, "aff_pf": -0.9982459743817648, "aff_hs": 0.8965744376182556, "repeats_pf": {"runs": 3, "values": [-0.7524, -1.2188, -1.0236], "mean": -0.9982, "spread": 0.4664}, "repeats_hs": {"runs": 3, "values": [1.0366, 0.7481, 0.905], "mean": 0.8966, "spread": 0.2886}, "at": 1787718398}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717379, "scored_at": 1787718398, "alerts": [], "rank": 312}, {"candidate_id": "ODC-52185F", "res_at": 1788484070, "skeleton": "QRUZJSNRZACAJO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-11", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 70.625, "axes": {"activity": 20.58, "binding": 18.19, "selectivity": 17.56, "admet": 4.34, "novelty": 6.22, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.835, "fraction": 0.686}, "binding": {"pIC50": 7.73, "LE": 0.303, "potency_term": 0.91, "efficiency_cap": 1.0}, "selectivity": {"fold": 85.3, "selectivity_term": 0.966, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.174}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.835017346421399, "aff_pf": -1.728643496831258, "aff_hs": 0.20250071088473, "repeats_pf": {"runs": 3, "values": [-1.876, -1.6794, -1.6305], "mean": -1.7286, "spread": 0.2454}, "repeats_hs": {"runs": 3, "values": [0.1495, 0.3082, 0.1498], "mean": 0.2025, "spread": 0.1588}, "at": 1788484070}, "tier": 1, "alerts": [], "total_sd": 1.635, "total_ci95": [67.827, 73.988], "relegate_reason": [], "submitted_at": 1788419622, "scored_at": 1788484070, "rank": 313}, {"candidate_id": "ODC-942568", "res_at": 1788843004, "skeleton": "GIAFDBDJYJUGFA", "hf_user": "Ku-ku", "display_name": "KK-M-0908-592", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 70.622, "axes": {"activity": 30.0, "binding": 12.48, "selectivity": 11.94, "admet": 5.77, "novelty": 6.76, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.572, "fraction": 1.0}, "binding": {"pIC50": 6.87, "LE": 0.325, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.0, "selectivity_term": 0.957, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.862, "ld50-zhu": 0.638, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "0", "pAct_q10": 6.572424169691096, "aff_pf": -0.872212807337443, "aff_hs": 1.0418141682942708, "repeats_pf": {"runs": 3, "values": [-0.9332, -0.821, -0.8624], "mean": -0.8722, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [1.0666, 1.0612, 0.9977], "mean": 1.0418, "spread": 0.0689}, "at": 1788843004}, "tier": 1, "alerts": [], "total_sd": 0.541, "total_ci95": [69.76, 71.822], "relegate_reason": [], "submitted_at": 1788842546, "scored_at": 1788843004, "rank": 314}, {"candidate_id": "ODC-7A6CDD", "res_at": 1787102426, "skeleton": "JHHNFCBVRONDNR", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 70.615, "axes": {"activity": 29.37, "binding": 16.86, "selectivity": 9.06, "admet": 4.43, "novelty": 7.06, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.362, "fraction": 0.979}, "binding": {"pIC50": 7.62, "LE": 0.29, "potency_term": 0.872, "efficiency_cap": 0.966}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.872}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 0.992, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.3623861545865035, "aff_pf": -1.6167678038279216, "aff_hs": -0.5777822285890579, "repeats_pf": {"runs": 3, "values": [-1.6379, -1.6698, -1.5426], "mean": -1.6168, "spread": 0.1272}, "repeats_hs": {"runs": 3, "values": [-0.8135, -0.7053, -0.2145], "mean": -0.5778, "spread": 0.599}, "at": 1787102426}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101089, "scored_at": 1787102426, "alerts": [], "rank": 315}, {"candidate_id": "ODC-97BF16", "res_at": 1788096392, "skeleton": "BPXVFQFZXQWFFJ", "hf_user": "Ku-ku", "display_name": "KK-M-0830-854", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 70.612, "axes": {"activity": 28.19, "binding": 13.8, "selectivity": 13.8, "admet": 4.46, "novelty": 6.6, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.291, "fraction": 0.94}, "binding": {"pIC50": 7.07, "LE": 0.359, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 140.6, "selectivity_term": 1.0, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.387, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.28, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.499, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.291304492627795, "aff_pf": -1.0694541533788045, "aff_hs": 1.0785768429438274, "repeats_pf": {"runs": 3, "values": [-1.1407, -1.065, -1.0027], "mean": -1.0695, "spread": 0.138}, "repeats_hs": {"runs": 3, "values": [1.5043, 0.9024, 0.829], "mean": 1.0786, "spread": 0.6753}, "at": 1788096392}, "tier": 1, "alerts": [], "total_sd": 0.51, "total_ci95": [69.412, 71.562], "relegate_reason": [], "submitted_at": 1788092657, "scored_at": 1788096392, "rank": 316}, {"candidate_id": "ODC-5429F2", "res_at": 1788166353, "skeleton": "DFULPWKEYGNNSE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-A04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 70.609, "axes": {"activity": 29.82, "binding": 18.01, "selectivity": 6.09, "admet": 5.52, "novelty": 7.13, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.389, "fraction": 0.994}, "binding": {"pIC50": 7.75, "LE": 0.295, "potency_term": 0.916, "efficiency_cap": 0.983}, "selectivity": {"fold": 4.6, "selectivity_term": 0.332, "target_engagement": 0.916}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.289, "dili": 0.08}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.389474820098455, "aff_pf": -1.7480322519938152, "aff_hs": -1.083328088124593, "repeats_pf": {"runs": 3, "values": [-1.8548, -1.727, -1.6623], "mean": -1.748, "spread": 0.1925}, "repeats_hs": {"runs": 3, "values": [-1.0472, -1.0884, -1.1144], "mean": -1.0833, "spread": 0.0672}, "at": 1788166353}, "tier": 1, "alerts": [], "total_sd": 0.989, "total_ci95": [69.102, 72.818], "relegate_reason": [], "submitted_at": 1788165594, "scored_at": 1788166353, "rank": 317}, {"candidate_id": "ODC-198FDE", "res_at": 1786935936, "skeleton": "MUOHDGWJSOHSEV", "hf_user": "ipsych", "display_name": "TPZ-CN5-SMe-4CF3-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 70.6, "axes": {"activity": 17.44, "binding": 19.46, "selectivity": 17.97, "admet": 6.32, "novelty": 5.34, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.646, "fraction": 0.581}, "binding": {"pIC50": 7.92, "LE": 0.434, "potency_term": 0.973, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.2, "selectivity_term": 0.923, "target_engagement": 0.973}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.555, "cyp2c9-veith": 0.073, "cyp3a4-substrate-carbonmangels": 0.346, "ld50-zhu": 0.666, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.646479424823668, "aff_pf": -1.9191697041193645, "aff_hs": -0.07274679839611053, "repeats_pf": {"runs": 3, "values": [-1.9483, -1.8591, -1.9501], "mean": -1.9192, "spread": 0.091}, "repeats_hs": {"runs": 3, "values": [-0.0584, -0.0846, -0.0752], "mean": -0.0727, "spread": 0.0262}, "at": 1786935936}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926145, "scored_at": 1786935936, "alerts": [], "rank": 318}, {"candidate_id": "ODC-D57991", "res_at": 1787672806, "skeleton": "DTBAMYQWETVYRH", "hf_user": "Ku-ku", "display_name": "KK-M-0826-02", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········Se]C2", "total": 70.582, "axes": {"activity": 26.58, "binding": 16.89, "selectivity": 11.0, "admet": 7.34, "novelty": 5.86, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 6.195, "fraction": 0.886}, "binding": {"pIC50": 7.53, "LE": 0.413, "potency_term": 0.844, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.844}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.603, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.565, "herg": 0.432, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 6.195019398322097, "aff_pf": -1.5328006347020466, "aff_hs": -0.23028387626012167, "repeats_pf": {"runs": 3, "values": [-1.5069, -1.4654, -1.626], "mean": -1.5328, "spread": 0.1606}, "repeats_hs": {"runs": 3, "values": [-0.0744, -0.5389, -0.0776], "mean": -0.2303, "spread": 0.4645}, "at": 1787672806}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787672425, "scored_at": 1787672806, "rank": 319}, {"candidate_id": "ODC-3BDFD9", "res_at": 1789425515, "skeleton": "CWQKAEWSUOYZQJ", "hf_user": "Ku-ku", "display_name": "KK-M-0915-027", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 70.579, "axes": {"activity": 23.27, "binding": 18.97, "selectivity": 13.74, "admet": 5.41, "novelty": 5.95, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.996, "fraction": 0.776}, "binding": {"pIC50": 7.85, "LE": 0.43, "potency_term": 0.948, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.1, "selectivity_term": 0.724, "target_engagement": 0.948}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.453, "ld50-zhu": 0.517, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "0", "pAct_q10": 5.996184008082682, "aff_pf": -1.8451333045959473, "aff_hs": -0.3963892807563146, "repeats_pf": {"runs": 3, "values": [-1.915, -1.8161, -1.8043], "mean": -1.8451, "spread": 0.1108}, "repeats_hs": {"runs": 3, "values": [-0.1655, -0.6138, -0.4099], "mean": -0.3964, "spread": 0.4483}, "at": 1789425515}, "tier": 1, "alerts": [], "total_sd": 1.21, "total_ci95": [68.417, 73.08], "relegate_reason": [], "submitted_at": 1789425038, "scored_at": 1789425515, "rank": 320}, {"candidate_id": "ODC-EED150", "res_at": 1786879546, "skeleton": "WQVGJBTZHJOOKV", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 70.574, "axes": {"activity": 24.8, "binding": 16.86, "selectivity": 15.19, "admet": 6.11, "novelty": 3.98, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 6.088, "fraction": 0.827}, "binding": {"pIC50": 7.53, "LE": 0.43, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.4, "selectivity_term": 0.901, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.431, "ld50-zhu": 0.476, "herg": 0.519, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 6.088240024016253, "aff_pf": -1.5287771224975586, "aff_hs": 0.27310718099276227, "repeats_pf": {"runs": 3, "values": [-1.5663, -1.4915, -1.5285], "mean": -1.5288, "spread": 0.0748}, "repeats_hs": {"runs": 3, "values": [0.2668, 0.1973, 0.3552], "mean": 0.2731, "spread": 0.1579}, "at": 1786879546}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871146, "scored_at": 1786879546, "alerts": [], "rank": 321}, {"candidate_id": "ODC-D8AC64", "res_at": 1786883362, "skeleton": "IHLBMVKCOZZYPX", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 70.49, "axes": {"activity": 22.97, "binding": 17.29, "selectivity": 15.57, "admet": 6.58, "novelty": 4.25, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.978, "fraction": 0.766}, "binding": {"pIC50": 7.59, "LE": 0.452, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.1, "selectivity_term": 0.9, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.379, "herg": 0.753, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.978318456247762, "aff_pf": -1.594049096107483, "aff_hs": 0.20623363057772318, "repeats_pf": {"runs": 3, "values": [-1.5472, -1.6181, -1.6168], "mean": -1.594, "spread": 0.0709}, "repeats_hs": {"runs": 3, "values": [0.3366, -0.0812, 0.3634], "mean": 0.2062, "spread": 0.4446}, "at": 1786883362}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874556, "scored_at": 1786883362, "alerts": [], "rank": 322}, {"candidate_id": "ODC-86403A", "res_at": 1787572288, "skeleton": "DNLOOIUCMOTJKE", "hf_user": "Ku-ku", "display_name": "KK-M-0824-21", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 70.467, "axes": {"activity": 30.0, "binding": 15.09, "selectivity": 8.99, "admet": 5.41, "novelty": 6.76, "synthesis": 4.22}, "detail": {"activity": {"pAct_q10": 6.451, "fraction": 1.0}, "binding": {"pIC50": 7.26, "LE": 0.369, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.596, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.795, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.61, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 6.450526450000622, "aff_pf": -1.2641129891077678, "aff_hs": -0.07273732125759125, "repeats_pf": {"runs": 3, "values": [-1.283, -1.3916, -1.1178], "mean": -1.2641, "spread": 0.2738}, "repeats_hs": {"runs": 3, "values": [-0.3219, 0.0773, 0.0265], "mean": -0.0727, "spread": 0.3992}, "at": 1787572288}, "tier": 1, "relegate_reason": [], "submitted_at": 1787572102, "scored_at": 1787572288, "alerts": [], "rank": 323}, {"candidate_id": "ODC-50EBFA", "res_at": 1788485906, "skeleton": "POFOSOJSQSVSDJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-14", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 70.433, "axes": {"activity": 22.41, "binding": 17.72, "selectivity": 16.87, "admet": 4.27, "novelty": 5.29, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.944, "fraction": 0.747}, "binding": {"pIC50": 7.66, "LE": 0.309, "potency_term": 0.886, "efficiency_cap": 1.0}, "selectivity": {"fold": 80.2, "selectivity_term": 0.952, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.4, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.508, "herg": 0.128, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.944370322155569, "aff_pf": -1.6579231818517048, "aff_hs": 0.24649883806705475, "repeats_pf": {"runs": 3, "values": [-1.5907, -1.775, -1.6081], "mean": -1.6579, "spread": 0.1843}, "repeats_hs": {"runs": 3, "values": [0.3764, 0.0941, 0.2689], "mean": 0.2465, "spread": 0.2823}, "at": 1788485906}, "tier": 1, "alerts": [], "total_sd": 1.21, "total_ci95": [68.44, 73.299], "relegate_reason": [], "submitted_at": 1788419635, "scored_at": 1788485906, "rank": 324}, {"candidate_id": "ODC-277A4B", "res_at": 1787560587, "skeleton": "YJQNNPZZMRAYPQ", "hf_user": "Ku-ku", "display_name": "KK-M-0824-14", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 70.428, "axes": {"activity": 27.78, "binding": 13.47, "selectivity": 13.47, "admet": 5.66, "novelty": 6.17, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.267, "fraction": 0.926}, "binding": {"pIC50": 7.02, "LE": 0.356, "potency_term": 0.673, "efficiency_cap": 1.0}, "selectivity": {"fold": 119.2, "selectivity_term": 1.0, "target_engagement": 0.673}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.774, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.884, "ld50-zhu": 0.439, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.266861832065729, "aff_pf": -1.0197821458180745, "aff_hs": 1.0565652052561443, "repeats_pf": {"runs": 3, "values": [-0.9781, -1.0032, -1.078], "mean": -1.0198, "spread": 0.0999}, "repeats_hs": {"runs": 3, "values": [1.1599, 1.0754, 0.9344], "mean": 1.0566, "spread": 0.2255}, "at": 1787560587}, "tier": 1, "relegate_reason": [], "submitted_at": 1787548546, "scored_at": 1787560587, "alerts": [], "rank": 325}, {"candidate_id": "ODC-E3F4A8", "res_at": 1787022949, "skeleton": "XEIIEQQOGYHREG", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········)CCC1", "total": 70.325, "axes": {"activity": 16.91, "binding": 19.58, "selectivity": 19.25, "admet": 4.13, "novelty": 6.35, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.615, "fraction": 0.564}, "binding": {"pIC50": 7.94, "LE": 0.302, "potency_term": 0.979, "efficiency_cap": 1.0}, "selectivity": {"fold": 92.7, "selectivity_term": 0.984, "target_engagement": 0.979}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.384, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.614623387372575, "aff_pf": -1.9364298582077026, "aff_hs": 0.030606528123219807, "repeats_pf": {"runs": 3, "values": [-1.9801, -1.8518, -1.9774], "mean": -1.9364, "spread": 0.1283}, "repeats_hs": {"runs": 3, "values": [-0.271, 0.1453, 0.2176], "mean": 0.0306, "spread": 0.4886}, "at": 1787022949}, "tier": 1, "relegate_reason": [], "submitted_at": 1787022050, "scored_at": 1787022949, "alerts": [], "rank": 326}, {"candidate_id": "ODC-8727ED", "res_at": 1788817957, "skeleton": "VVNLOGKUVUCMFY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0907-07", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········=CCC1", "total": 70.322, "axes": {"activity": 29.9, "binding": 14.96, "selectivity": 11.08, "admet": 4.15, "novelty": 7.22, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 6.394, "fraction": 0.997}, "binding": {"pIC50": 7.34, "LE": 0.287, "potency_term": 0.781, "efficiency_cap": 0.958}, "selectivity": {"fold": 26.3, "selectivity_term": 0.71, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.445, "herg": 0.143, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "0", "pAct_q10": 6.394010098456803, "aff_pf": -1.3423911730448406, "aff_hs": 0.07691246271133423, "repeats_pf": {"runs": 3, "values": [-1.2187, -1.367, -1.4415], "mean": -1.3424, "spread": 0.2228}, "repeats_hs": {"runs": 3, "values": [0.0643, 0.1726, -0.0061], "mean": 0.0769, "spread": 0.1787}, "at": 1788817957}, "tier": 1, "alerts": [], "total_sd": 1.129, "total_ci95": [67.967, 72.382], "relegate_reason": [], "submitted_at": 1788759137, "scored_at": 1788817957, "rank": 327}, {"candidate_id": "ODC-3C5239", "res_at": 1787733640, "skeleton": "RYKLYOKIROYBFL", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5Et-YF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 70.287, "axes": {"activity": 30.0, "binding": 16.31, "selectivity": 8.46, "admet": 4.49, "novelty": 6.83, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 6.402, "fraction": 1.0}, "binding": {"pIC50": 7.45, "LE": 0.3, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.354, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 6.402076355160297, "aff_pf": -1.4464763005574544, "aff_hs": -0.4094175199667613, "repeats_pf": {"runs": 3, "values": [-1.4139, -1.3623, -1.5633], "mean": -1.4465, "spread": 0.201}, "repeats_hs": {"runs": 3, "values": [-0.2739, -0.3922, -0.5621], "mean": -0.4094, "spread": 0.2882}, "at": 1787733640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728414, "scored_at": 1787733640, "alerts": [], "rank": 328}, {"candidate_id": "ODC-A64703", "res_at": 1788921145, "skeleton": "DFYUJSPRDYHOPI", "hf_user": "Ku-ku", "display_name": "KK-M-0909-371", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 70.282, "axes": {"activity": 30.0, "binding": 12.39, "selectivity": 12.35, "admet": 5.11, "novelty": 6.71, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.549, "fraction": 1.0}, "binding": {"pIC50": 6.86, "LE": 0.313, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 98.6, "selectivity_term": 0.997, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.519, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.48, "ld50-zhu": 0.791, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 6.549237761009069, "aff_pf": -0.8578273057937622, "aff_hs": 1.1358890334765117, "repeats_pf": {"runs": 3, "values": [-0.8364, -0.9062, -0.831], "mean": -0.8578, "spread": 0.0752}, "repeats_hs": {"runs": 3, "values": [1.2222, 0.9142, 1.2712], "mean": 1.1359, "spread": 0.3569}, "at": 1788921145}, "tier": 1, "alerts": [], "total_sd": 0.412, "total_ci95": [69.134, 70.655], "relegate_reason": [], "submitted_at": 1788905828, "scored_at": 1788921145, "rank": 329}, {"candidate_id": "ODC-7DAC5F", "res_at": 1788450844, "skeleton": "QUZBRKNEBRNSQM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-CX-Y-OH", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 70.265, "axes": {"activity": 27.69, "binding": 15.31, "selectivity": 12.38, "admet": 4.66, "novelty": 6.62, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 6.261, "fraction": 0.923}, "binding": {"pIC50": 7.49, "LE": 0.277, "potency_term": 0.828, "efficiency_cap": 0.924}, "selectivity": {"fold": 31.2, "selectivity_term": 0.747, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.294, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.437, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.2, "dili": 0.104}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.2614740151470745, "aff_pf": -1.4851058721542358, "aff_hs": 0.009601831436157227, "repeats_pf": {"runs": 3, "values": [-1.5095, -1.3772, -1.5686], "mean": -1.4851, "spread": 0.1914}, "repeats_hs": {"runs": 3, "values": [-0.0443, 0.1593, -0.0861], "mean": 0.0096, "spread": 0.2454}, "at": 1788450844}, "tier": 1, "alerts": [], "total_sd": 1.052, "total_ci95": [68.252, 72.228], "relegate_reason": [], "submitted_at": 1788393871, "scored_at": 1788450844, "rank": 330}, {"candidate_id": "ODC-696874", "res_at": 1788166556, "skeleton": "DPXFTHUHEZTYAE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-A05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 70.258, "axes": {"activity": 26.46, "binding": 20.0, "selectivity": 7.44, "admet": 5.05, "novelty": 7.27, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.188, "fraction": 0.882}, "binding": {"pIC50": 8.18, "LE": 0.303, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.372, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.447, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.261, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 6.18756796911098, "aff_pf": -2.1797993183135986, "aff_hs": -1.4357568820317586, "repeats_pf": {"runs": 3, "values": [-2.257, -2.159, -2.1234], "mean": -2.1798, "spread": 0.1336}, "repeats_hs": {"runs": 3, "values": [-1.3803, -1.4052, -1.5218], "mean": -1.4358, "spread": 0.1415}, "at": 1788166556}, "tier": 1, "alerts": [], "total_sd": 0.537, "total_ci95": [69.222, 71.175], "relegate_reason": [], "submitted_at": 1788165604, "scored_at": 1788166556, "rank": 331}, {"candidate_id": "ODC-D9B6DA", "res_at": 1787723859, "skeleton": "NXIPXSSJOVADGO", "hf_user": "1Dmeds", "display_name": "ODC26-M30-C3", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)C··········F)CC1", "total": 70.25, "axes": {"activity": 30.0, "binding": 19.58, "selectivity": 5.21, "admet": 5.19, "novelty": 7.18, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 6.431, "fraction": 1.0}, "binding": {"pIC50": 7.94, "LE": 0.302, "potency_term": 0.979, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.979}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.291, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.784, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "3", "pAct_q10": 6.43138787241701, "aff_pf": -1.937535007794698, "aff_hs": -1.4056485891342163, "repeats_pf": {"runs": 3, "values": [-1.9698, -1.9836, -1.8592], "mean": -1.9375, "spread": 0.1244}, "repeats_hs": {"runs": 3, "values": [-1.5107, -1.5407, -1.1655], "mean": -1.4056, "spread": 0.3752}, "at": 1787723859}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719779, "scored_at": 1787723859, "alerts": [], "rank": 332}, {"candidate_id": "ODC-2EB4E7", "res_at": 1786986937, "skeleton": "NFBIEYXCKXHUIU", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 70.213, "axes": {"activity": 24.56, "binding": 19.42, "selectivity": 12.23, "admet": 3.95, "novelty": 6.1, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.074, "fraction": 0.819}, "binding": {"pIC50": 7.96, "LE": 0.295, "potency_term": 0.988, "efficiency_cap": 0.983}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.988}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 0.957, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.878, "herg": 0.085, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.073641363585522, "aff_pf": -1.9635902245839436, "aff_hs": -0.7257341941197714, "repeats_pf": {"runs": 3, "values": [-1.9422, -2.0363, -1.9122], "mean": -1.9636, "spread": 0.1241}, "repeats_hs": {"runs": 3, "values": [-0.4929, -0.8491, -0.8352], "mean": -0.7257, "spread": 0.3561}, "at": 1786986937}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981624, "scored_at": 1786986937, "alerts": [], "rank": 333}, {"candidate_id": "ODC-5B6AB6", "res_at": 1789212301, "skeleton": "QTIDQWNTAOTSMB", "hf_user": "Ku-ku", "display_name": "KK-M-0912-996", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 70.199, "axes": {"activity": 14.56, "binding": 18.84, "selectivity": 18.84, "admet": 9.22, "novelty": 6.28, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 7.83, "LE": 0.447, "potency_term": 0.942, "efficiency_cap": 1.0}, "selectivity": {"fold": 135.6, "selectivity_term": 1.0, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.652, "per_endpoint": {"solubility-aqsoldb": 0.541, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.548, "cyp3a4-substrate-carbonmangels": 0.584, "ld50-zhu": 0.512, "herg": 0.773, "dili": 0.15}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 4.16}}, "run": {"gpu": "0", "pAct_q10": 5.473318847230271, "aff_pf": -1.8255336284637451, "aff_hs": 0.30675504604975384, "repeats_pf": {"runs": 3, "values": [-1.8459, -1.8321, -1.7986], "mean": -1.8255, "spread": 0.0472}, "repeats_hs": {"runs": 3, "values": [0.3141, 0.3141, 0.2921], "mean": 0.3068, "spread": 0.022}, "at": 1789212301}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.232, "total_ci95": [69.668, 70.509], "relegate_reason": [], "submitted_at": 1789179622, "scored_at": 1789212301, "rank": 334}, {"candidate_id": "ODC-44CD9E", "res_at": 1787871646, "skeleton": "WAEQMSGZEYGTQW", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N2", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········)CCC2", "total": 70.189, "axes": {"activity": 24.49, "binding": 16.81, "selectivity": 15.62, "admet": 4.26, "novelty": 5.53, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.069, "fraction": 0.816}, "binding": {"pIC50": 7.52, "LE": 0.396, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.2, "selectivity_term": 0.929, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.389, "ld50-zhu": 0.467, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 6.069331670771306, "aff_pf": -1.5212172667185466, "aff_hs": 0.33733414610226947, "repeats_pf": {"runs": 3, "values": [-1.4745, -1.546, -1.5431], "mean": -1.5212, "spread": 0.0714}, "repeats_hs": {"runs": 3, "values": [0.3355, 0.3616, 0.3149], "mean": 0.3373, "spread": 0.0468}, "at": 1787836647}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784231, "scored_at": 1787836647, "alerts": [], "rank": 335}, {"candidate_id": "ODC-8099B5", "res_at": 1789897881, "skeleton": "ITUJBNUEPJTSLT", "hf_user": "Ku-ku", "display_name": "KK-M-0918-084", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 70.178, "axes": {"activity": 13.13, "binding": 20.0, "selectivity": 19.24, "admet": 7.15, "novelty": 6.52, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 8.02, "LE": 0.439, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 84.0, "selectivity_term": 0.962, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.454, "cyp3a4-substrate-carbonmangels": 0.68, "ld50-zhu": 0.56, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.3878824331309145, "aff_pf": -2.019585688908895, "aff_hs": -0.09519182487080495, "repeats_pf": {"runs": 3, "values": [-2.0593, -1.8589, -2.1406], "mean": -2.0196, "spread": 0.2818}, "repeats_hs": {"runs": 3, "values": [-0.1262, -0.1547, -0.0047], "mean": -0.0952, "spread": 0.1499}, "at": 1789897881}, "tier": 1, "alerts": [], "total_sd": 1.304, "total_ci95": [66.054, 70.934], "relegate_reason": [], "submitted_at": 1789664234, "scored_at": 1789897881, "rank": 336}, {"candidate_id": "ODC-AAAF25", "res_at": 1789213703, "skeleton": "CPIYTPOFAMZUQC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-D18-02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 70.153, "axes": {"activity": 30.0, "binding": 16.53, "selectivity": 7.61, "admet": 5.32, "novelty": 7.14, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 6.562, "fraction": 1.0}, "binding": {"pIC50": 7.58, "LE": 0.288, "potency_term": 0.86, "efficiency_cap": 0.961}, "selectivity": {"fold": 7.7, "selectivity_term": 0.442, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.108, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.824, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 6.562110613951358, "aff_pf": -1.579339623451233, "aff_hs": -0.6945273578166962, "repeats_pf": {"runs": 3, "values": [-1.526, -1.665, -1.547], "mean": -1.5793, "spread": 0.139}, "repeats_hs": {"runs": 3, "values": [-0.9776, -0.7001, -0.4059], "mean": -0.6945, "spread": 0.5717}, "at": 1789213703}, "tier": 1, "alerts": [], "total_sd": 1.43, "total_ci95": [67.486, 72.779], "relegate_reason": [], "submitted_at": 1789182009, "scored_at": 1789213703, "rank": 337}, {"candidate_id": "ODC-899408", "res_at": 1786971876, "skeleton": "BLCQWOVSIMZLGL", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········)CCC1", "total": 70.106, "axes": {"activity": 16.8, "binding": 19.59, "selectivity": 19.59, "admet": 4.48, "novelty": 5.43, "synthesis": 4.22}, "detail": {"activity": {"pAct_q10": 5.608, "fraction": 0.56}, "binding": {"pIC50": 7.94, "LE": 0.34, "potency_term": 0.98, "efficiency_cap": 1.0}, "selectivity": {"fold": 204.3, "selectivity_term": 1.0, "target_engagement": 0.98}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.31}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.6081449323369075, "aff_pf": -1.9386770725250244, "aff_hs": 0.3715644081433614, "repeats_pf": {"runs": 3, "values": [-1.8927, -2.0204, -1.9029], "mean": -1.9387, "spread": 0.1276}, "repeats_hs": {"runs": 3, "values": [0.2894, 0.5261, 0.2992], "mean": 0.3716, "spread": 0.2367}, "at": 1786971876}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971693, "scored_at": 1786971876, "alerts": [], "rank": 338}, {"candidate_id": "ODC-640023", "res_at": 1787086312, "skeleton": "RRIHNOXGZDAZRQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········(C)C1", "total": 70.091, "axes": {"activity": 29.87, "binding": 17.13, "selectivity": 6.25, "admet": 5.73, "novelty": 7.24, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.392, "fraction": 0.996}, "binding": {"pIC50": 7.65, "LE": 0.291, "potency_term": 0.883, "efficiency_cap": 0.97}, "selectivity": {"fold": 5.1, "selectivity_term": 0.354, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.539, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.731, "herg": 0.394, "dili": 0.084}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.392494630950067, "aff_pf": -1.648597518603007, "aff_hs": -0.940645178159078, "repeats_pf": {"runs": 3, "values": [-1.724, -1.6752, -1.5466], "mean": -1.6486, "spread": 0.1775}, "repeats_hs": {"runs": 3, "values": [-0.9386, -0.9009, -0.9825], "mean": -0.9406, "spread": 0.0816}, "at": 1787086312}, "tier": 1, "relegate_reason": [], "submitted_at": 1787076221, "scored_at": 1787086312, "alerts": [], "rank": 339}, {"candidate_id": "ODC-95AB16", "res_at": 1788560679, "skeleton": "IRLJDFWABDYTTG", "hf_user": "1Dmeds", "display_name": "ODC26-S1D13", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 70.085, "axes": {"activity": 19.07, "binding": 18.79, "selectivity": 17.21, "admet": 4.88, "novelty": 6.59, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.636}, "binding": {"pIC50": 7.84, "LE": 0.298, "potency_term": 0.945, "efficiency_cap": 0.994}, "selectivity": {"fold": 66.2, "selectivity_term": 0.91, "target_engagement": 0.945}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.506, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.807, "herg": 0.05, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.744012881839821, "aff_pf": -1.8358012835184734, "aff_hs": -0.01484529177347819, "repeats_pf": {"runs": 3, "values": [-1.7817, -1.895, -1.8306], "mean": -1.8358, "spread": 0.1133}, "repeats_hs": {"runs": 3, "values": [-0.0097, -0.1895, 0.1547], "mean": -0.0148, "spread": 0.3442}, "at": 1788560679}, "tier": 1, "alerts": [], "total_sd": 1.124, "total_ci95": [67.766, 71.865], "relegate_reason": [], "submitted_at": 1788555444, "scored_at": 1788560679, "rank": 340}, {"candidate_id": "ODC-09724C", "res_at": 1789213199, "skeleton": "FIRLVRVWGGYISH", "hf_user": "Ku-ku", "display_name": "KK-M-0912-679", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 70.05, "axes": {"activity": 17.58, "binding": 19.12, "selectivity": 14.59, "admet": 10.21, "novelty": 4.94, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 7.87, "LE": 0.49, "potency_term": 0.956, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.956}, "admet": {"geometric_mean": 0.712, "per_endpoint": {"solubility-aqsoldb": 0.756, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.839, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.346, "herg": 0.54, "dili": 0.47}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.654985577281134, "aff_pf": -1.8674293756484985, "aff_hs": -0.3409670889377594, "repeats_pf": {"runs": 3, "values": [-1.8754, -1.854, -1.8728], "mean": -1.8674, "spread": 0.0214}, "repeats_hs": {"runs": 3, "values": [-0.3263, -0.344, -0.3526], "mean": -0.341, "spread": 0.0263}, "at": 1789213199}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.164, "total_ci95": [69.649, 70.332], "relegate_reason": [], "submitted_at": 1789179634, "scored_at": 1789213199, "rank": 341}, {"candidate_id": "ODC-4E6651", "res_at": 1789961873, "skeleton": "HHQXTWKXGXTTLB", "hf_user": "Ku-ku", "display_name": "KK-M-0920-403", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 70.001, "axes": {"activity": 30.0, "binding": 16.28, "selectivity": 8.1, "admet": 5.5, "novelty": 6.71, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 6.453, "fraction": 1.0}, "binding": {"pIC50": 7.44, "LE": 0.378, "potency_term": 0.814, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.497, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.484, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.954, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.418, "ld50-zhu": 0.568, "herg": 0.05, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "2", "pAct_q10": 6.453219360468194, "aff_pf": -1.442580024401347, "aff_hs": -0.4480595464507739, "repeats_pf": {"runs": 3, "values": [-1.3713, -1.4862, -1.4702], "mean": -1.4426, "spread": 0.115}, "repeats_hs": {"runs": 3, "values": [-0.5785, -0.1051, -0.6606], "mean": -0.4481, "spread": 0.5555}, "at": 1789961873}, "tier": 1, "alerts": [], "total_sd": 1.294, "total_ci95": [67.828, 72.793], "relegate_reason": [], "submitted_at": 1789885829, "scored_at": 1789961873, "rank": 342}, {"candidate_id": "ODC-0EF279", "res_at": 1786921644, "skeleton": "ZNPYRTCLZUQKNN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 69.967, "axes": {"activity": 27.02, "binding": 14.99, "selectivity": 11.85, "admet": 6.75, "novelty": 5.65, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.221, "fraction": 0.901}, "binding": {"pIC50": 7.25, "LE": 0.368, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.1, "selectivity_term": 0.791, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.662, "ld50-zhu": 0.581, "herg": 0.364, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.22113381883257, "aff_pf": -1.248682181040446, "aff_hs": 0.3324708143870036, "repeats_pf": {"runs": 3, "values": [-1.29, -1.19, -1.266], "mean": -1.2487, "spread": 0.1}, "repeats_hs": {"runs": 3, "values": [0.4025, 0.3054, 0.2895], "mean": 0.3325, "spread": 0.113}, "at": 1786921644}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921393, "scored_at": 1786921644, "alerts": [], "rank": 343}, {"candidate_id": "ODC-59B6CF", "res_at": 1789915370, "skeleton": "KGQYMMVCROEXBS", "hf_user": "Ku-ku", "display_name": "KK-M-0920-261", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 69.961, "axes": {"activity": 26.79, "binding": 17.9, "selectivity": 10.92, "admet": 4.85, "novelty": 6.13, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 6.207, "fraction": 0.893}, "binding": {"pIC50": 7.68, "LE": 0.405, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.703, "ld50-zhu": 0.481, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "2", "pAct_q10": 6.207204961153314, "aff_pf": -1.6842711766560872, "aff_hs": -0.46369921664396924, "repeats_pf": {"runs": 3, "values": [-1.6847, -1.7035, -1.6646], "mean": -1.6843, "spread": 0.0389}, "repeats_hs": {"runs": 3, "values": [-0.4745, -0.136, -0.7807], "mean": -0.4637, "spread": 0.6447}, "at": 1789915370}, "tier": 1, "alerts": [], "total_sd": 1.297, "total_ci95": [67.762, 72.733], "relegate_reason": [], "submitted_at": 1789885820, "scored_at": 1789915370, "rank": 344}, {"candidate_id": "ODC-734A28", "res_at": 1788267249, "skeleton": "HXBWAQSRKCSMQT", "hf_user": "Ku-ku", "display_name": "KK-M-0831-749", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 69.92, "axes": {"activity": 30.0, "binding": 12.04, "selectivity": 12.04, "admet": 5.53, "novelty": 6.62, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.4, "fraction": 1.0}, "binding": {"pIC50": 6.81, "LE": 0.322, "potency_term": 0.602, "efficiency_cap": 1.0}, "selectivity": {"fold": 103.3, "selectivity_term": 1.0, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.144, "caco2-wang": 0.515, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.819, "ld50-zhu": 0.696, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 6.400007775546145, "aff_pf": -0.8059829870859782, "aff_hs": 1.2082147200902302, "repeats_pf": {"runs": 3, "values": [-0.7126, -0.8629, -0.8424], "mean": -0.806, "spread": 0.1503}, "repeats_hs": {"runs": 3, "values": [1.3088, 1.0358, 1.28], "mean": 1.2082, "spread": 0.2731}, "at": 1788267249}, "tier": 1, "alerts": [], "total_sd": 0.653, "total_ci95": [68.278, 70.679], "relegate_reason": [], "submitted_at": 1788231411, "scored_at": 1788267249, "rank": 345}, {"candidate_id": "ODC-4ECE2C", "res_at": 1787168030, "skeleton": "LGXDKDYDWLGADV", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 69.9, "axes": {"activity": 29.53, "binding": 19.21, "selectivity": 6.27, "admet": 3.75, "novelty": 7.09, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.372, "fraction": 0.984}, "binding": {"pIC50": 8.0, "LE": 0.288, "potency_term": 0.999, "efficiency_cap": 0.961}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.999}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 0.836, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.661, "herg": 0.087, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.371716204344714, "aff_pf": -1.9975450833638508, "aff_hs": -1.3695571422576904, "repeats_pf": {"runs": 3, "values": [-1.9244, -1.9639, -2.1043], "mean": -1.9975, "spread": 0.1799}, "repeats_hs": {"runs": 3, "values": [-1.335, -1.4248, -1.3489], "mean": -1.3696, "spread": 0.0898}, "at": 1787168030}, "tier": 1, "relegate_reason": [], "submitted_at": 1787161942, "scored_at": 1787168030, "alerts": [], "rank": 346}, {"candidate_id": "ODC-6EC3A5", "res_at": 1787481302, "skeleton": "VQNOCVBGLIVOKV", "hf_user": "Ku-ku", "display_name": "KK-M-0823-44", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 69.85, "axes": {"activity": 22.18, "binding": 19.71, "selectivity": 11.57, "admet": 5.82, "novelty": 6.52, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.931, "fraction": 0.739}, "binding": {"pIC50": 7.96, "LE": 0.436, "potency_term": 0.985, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.985}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.517, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.873, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.761, "ld50-zhu": 0.486, "herg": 0.065, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.930642217352508, "aff_pf": -1.9562706152598064, "aff_hs": -0.7823233008384705, "repeats_pf": {"runs": 3, "values": [-1.9352, -1.9899, -1.9437], "mean": -1.9563, "spread": 0.0546}, "repeats_hs": {"runs": 3, "values": [-0.5942, -1.0686, -0.6841], "mean": -0.7823, "spread": 0.4744}, "at": 1787481302}, "tier": 1, "relegate_reason": [], "submitted_at": 1787480539, "scored_at": 1787481302, "alerts": [], "rank": 347}, {"candidate_id": "ODC-0A1499", "res_at": 1787444355, "skeleton": "QSCJAQUHKTVXHR", "hf_user": "Ku-ku", "display_name": "KK-M-0823-02", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 69.764, "axes": {"activity": 25.88, "binding": 18.2, "selectivity": 10.82, "admet": 5.64, "novelty": 5.14, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.153, "fraction": 0.863}, "binding": {"pIC50": 7.73, "LE": 0.441, "potency_term": 0.91, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.786, "ld50-zhu": 0.374, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 6.152942474624531, "aff_pf": -1.7300142447153728, "aff_hs": -0.540960967540741, "repeats_pf": {"runs": 3, "values": [-1.9374, -1.6187, -1.634], "mean": -1.73, "spread": 0.3187}, "repeats_hs": {"runs": 3, "values": [-0.6427, -0.335, -0.6452], "mean": -0.541, "spread": 0.3102}, "at": 1787444355}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443746, "scored_at": 1787444355, "alerts": [], "rank": 348}, {"candidate_id": "ODC-31229F", "res_at": 1788169002, "skeleton": "JYAIUPRZEYNYBZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y13", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········O)CC1", "total": 69.757, "axes": {"activity": 27.95, "binding": 13.32, "selectivity": 11.49, "admet": 6.59, "novelty": 6.75, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.277, "fraction": 0.932}, "binding": {"pIC50": 7.24, "LE": 0.268, "potency_term": 0.746, "efficiency_cap": 0.893}, "selectivity": {"fold": 34.8, "selectivity_term": 0.771, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.492, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.452, "cyp2c9-veith": 0.458, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.761, "herg": 0.378, "dili": 0.172}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.276740325377692, "aff_pf": -1.2366454601287842, "aff_hs": 0.3046401192744573, "repeats_pf": {"runs": 3, "values": [-1.2867, -1.236, -1.1873], "mean": -1.2366, "spread": 0.0994}, "repeats_hs": {"runs": 3, "values": [0.3599, 0.3132, 0.2408], "mean": 0.3046, "spread": 0.1191}, "at": 1788169002}, "tier": 1, "alerts": [], "total_sd": 0.519, "total_ci95": [68.795, 70.669], "relegate_reason": [], "submitted_at": 1788165842, "scored_at": 1788169002, "rank": 349}, {"candidate_id": "ODC-5D18AC", "res_at": 1787080892, "skeleton": "MIBKMIJXYBAIDO", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCC1F", "total": 69.712, "axes": {"activity": 24.48, "binding": 19.85, "selectivity": 12.18, "admet": 3.85, "novelty": 6.5, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.069, "fraction": 0.816}, "binding": {"pIC50": 7.98, "LE": 0.304, "potency_term": 0.993, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.614, "target_engagement": 0.993}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 0.994, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.247, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 3.99}}, "run": {"gpu": "3", "pAct_q10": 6.068897630900283, "aff_pf": -1.9777323404947917, "aff_hs": -0.7505501310030619, "repeats_pf": {"runs": 3, "values": [-1.9275, -2.0108, -1.9949], "mean": -1.9777, "spread": 0.0832}, "repeats_hs": {"runs": 3, "values": [-0.7348, -0.6766, -0.8402], "mean": -0.7506, "spread": 0.1636}, "at": 1787080892}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069079, "scored_at": 1787080892, "alerts": [], "rank": 350}, {"candidate_id": "ODC-0AF41F", "res_at": 1787082241, "skeleton": "ZZNGSPJWRBXLIR", "hf_user": "1Dmeds", "display_name": "ODC26-MB-16", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 69.639, "axes": {"activity": 23.48, "binding": 16.3, "selectivity": 16.3, "admet": 6.17, "novelty": 3.45, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.009, "fraction": 0.783}, "binding": {"pIC50": 7.45, "LE": 0.464, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 160.0, "selectivity_term": 1.0, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.349, "herg": 0.871, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "2", "pAct_q10": 6.0088799085010765, "aff_pf": -1.4451801379521687, "aff_hs": 0.7589360078175863, "repeats_pf": {"runs": 3, "values": [-1.4064, -1.465, -1.4642], "mean": -1.4452, "spread": 0.0586}, "repeats_hs": {"runs": 3, "values": [0.7635, 0.7695, 0.7438], "mean": 0.7589, "spread": 0.0258}, "at": 1787082241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069695, "scored_at": 1787082241, "alerts": [], "rank": 351}, {"candidate_id": "ODC-357727", "res_at": 1787663478, "skeleton": "YYSLPJOZIJIBGI", "hf_user": "1Dmeds", "display_name": "ODC26-R2-01-butylF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 69.636, "axes": {"activity": 30.0, "binding": 15.29, "selectivity": 7.69, "admet": 5.49, "novelty": 7.11, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 6.442, "fraction": 1.0}, "binding": {"pIC50": 7.33, "LE": 0.295, "potency_term": 0.776, "efficiency_cap": 0.984}, "selectivity": {"fold": 9.8, "selectivity_term": 0.495, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.114, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.715, "herg": 0.158, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.44246986825762, "aff_pf": -1.329472541809082, "aff_hs": -0.3397579441467921, "repeats_pf": {"runs": 3, "values": [-1.3305, -1.3219, -1.336], "mean": -1.3295, "spread": 0.0141}, "repeats_hs": {"runs": 3, "values": [-0.2122, -0.7363, -0.0708], "mean": -0.3398, "spread": 0.6655}, "at": 1787663478}, "tier": 1, "relegate_reason": [], "submitted_at": 1787663083, "scored_at": 1787663478, "alerts": [], "rank": 352}, {"candidate_id": "ODC-92C5A8", "res_at": 1788554516, "skeleton": "VTYRWXQCCXBZSF", "hf_user": "1Dmeds", "display_name": "ODC26-S1D10", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········F)CC1", "total": 69.607, "axes": {"activity": 30.0, "binding": 13.19, "selectivity": 9.62, "admet": 5.71, "novelty": 7.04, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.439, "fraction": 1.0}, "binding": {"pIC50": 7.03, "LE": 0.292, "potency_term": 0.678, "efficiency_cap": 0.973}, "selectivity": {"fold": 26.3, "selectivity_term": 0.71, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.915, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.67, "herg": 0.109, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 6.439465312281915, "aff_pf": -1.0331940253575642, "aff_hs": 0.38637547194957733, "repeats_pf": {"runs": 3, "values": [-1.0804, -0.9181, -1.101], "mean": -1.0332, "spread": 0.1829}, "repeats_hs": {"runs": 3, "values": [0.5361, 0.4418, 0.1812], "mean": 0.3864, "spread": 0.3549}, "at": 1788554516}, "tier": 1, "alerts": [], "total_sd": 1.141, "total_ci95": [67.577, 71.802], "relegate_reason": [], "submitted_at": 1788517805, "scored_at": 1788554516, "rank": 353}, {"candidate_id": "ODC-A55347", "res_at": 1787198589, "skeleton": "PYBUHKJWFYJXCN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 69.509, "axes": {"activity": 30.0, "binding": 12.61, "selectivity": 12.21, "admet": 3.78, "novelty": 7.01, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.486, "fraction": 1.0}, "binding": {"pIC50": 7.1, "LE": 0.27, "potency_term": 0.7, "efficiency_cap": 0.901}, "selectivity": {"fold": 55.4, "selectivity_term": 0.872, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.247, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.172}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.485578592110368, "aff_pf": -1.1005855798721313, "aff_hs": 0.6427461306254069, "repeats_pf": {"runs": 3, "values": [-1.0578, -1.0335, -1.2104], "mean": -1.1006, "spread": 0.1769}, "repeats_hs": {"runs": 3, "values": [0.6601, 0.6472, 0.6209], "mean": 0.6427, "spread": 0.0393}, "at": 1787198589}, "tier": 1, "relegate_reason": [], "submitted_at": 1787194457, "scored_at": 1787198589, "alerts": [], "rank": 354}, {"candidate_id": "ODC-CBC330", "res_at": 1789386305, "skeleton": "BHNMWPPZOCTNLQ", "hf_user": "Ku-ku", "display_name": "KK-M-0914-551", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 69.49, "axes": {"activity": 14.78, "binding": 18.59, "selectivity": 18.16, "admet": 9.43, "novelty": 6.15, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 7.79, "LE": 0.445, "potency_term": 0.93, "efficiency_cap": 1.0}, "selectivity": {"fold": 89.8, "selectivity_term": 0.977, "target_engagement": 0.93}, "admet": {"geometric_mean": 0.676, "per_endpoint": {"solubility-aqsoldb": 0.717, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.75, "cyp3a4-substrate-carbonmangels": 0.414, "ld50-zhu": 0.492, "herg": 0.89, "dili": 0.163}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 4.21}}, "run": {"gpu": "0", "pAct_q10": 5.486979082043736, "aff_pf": -1.7890491088231404, "aff_hs": 0.16412189106146494, "repeats_pf": {"runs": 3, "values": [-1.779, -1.7871, -1.801], "mean": -1.789, "spread": 0.022}, "repeats_hs": {"runs": 3, "values": [0.2405, 0.1431, 0.1087], "mean": 0.1641, "spread": 0.1317}, "at": 1789386305}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.314, "total_ci95": [68.898, 70.016], "relegate_reason": [], "submitted_at": 1789381702, "scored_at": 1789386305, "rank": 355}, {"candidate_id": "ODC-092CF3", "res_at": 1787462091, "skeleton": "BOWJFGAQQWFAMC", "hf_user": "Ku-ku", "display_name": "KK-M-0823-22", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC1Cc2c··········cc2C1", "total": 69.45, "axes": {"activity": 26.52, "binding": 18.4, "selectivity": 10.29, "admet": 5.3, "novelty": 5.99, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 6.191, "fraction": 0.884}, "binding": {"pIC50": 7.76, "LE": 0.425, "potency_term": 0.92, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.559, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.782, "ld50-zhu": 0.449, "herg": 0.09, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 6.191486058101652, "aff_pf": -1.7595062255859375, "aff_hs": -0.640657921632131, "repeats_pf": {"runs": 3, "values": [-1.796, -1.6763, -1.8062], "mean": -1.7595, "spread": 0.1298}, "repeats_hs": {"runs": 3, "values": [-0.6721, -0.6919, -0.5579], "mean": -0.6407, "spread": 0.134}, "at": 1787462091}, "tier": 1, "relegate_reason": [], "submitted_at": 1787461562, "scored_at": 1787462091, "alerts": [], "rank": 356}, {"candidate_id": "ODC-C65A73", "res_at": 1789097027, "skeleton": "SPPGUWITTUAGCF", "hf_user": "Ku-ku", "display_name": "KK-M-0911-245", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 69.441, "axes": {"activity": 30.0, "binding": 12.77, "selectivity": 11.08, "admet": 5.6, "novelty": 6.85, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 6.522, "fraction": 1.0}, "binding": {"pIC50": 6.91, "LE": 0.327, "potency_term": 0.638, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.4, "selectivity_term": 0.868, "target_engagement": 0.638}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.702, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.466, "ld50-zhu": 0.548, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 6.521854458509656, "aff_pf": -0.9148680965105692, "aff_hs": 0.8206270138422648, "repeats_pf": {"runs": 3, "values": [-0.8863, -0.8922, -0.9662], "mean": -0.9149, "spread": 0.0799}, "repeats_hs": {"runs": 3, "values": [0.7958, 0.8842, 0.7819], "mean": 0.8206, "spread": 0.1023}, "at": 1789097027}, "tier": 1, "alerts": [], "total_sd": 0.454, "total_ci95": [68.728, 70.417], "relegate_reason": [], "submitted_at": 1789089375, "scored_at": 1789097027, "rank": 357}, {"candidate_id": "ODC-3CF15F", "res_at": 1788969567, "skeleton": "NGGNIEUNLPIICI", "hf_user": "Ku-ku", "display_name": "KK-M-0910-501", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 69.439, "axes": {"activity": 27.99, "binding": 14.02, "selectivity": 12.13, "admet": 4.64, "novelty": 6.91, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.28, "fraction": 0.933}, "binding": {"pIC50": 7.1, "LE": 0.336, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.8, "selectivity_term": 0.865, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.574, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.21, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 6.279543332778947, "aff_pf": -1.1029115517934163, "aff_hs": 0.6274738907814026, "repeats_pf": {"runs": 3, "values": [-1.1061, -1.0738, -1.1288], "mean": -1.1029, "spread": 0.0549}, "repeats_hs": {"runs": 3, "values": [0.5658, 0.7222, 0.5944], "mean": 0.6275, "spread": 0.1563}, "at": 1788969567}, "tier": 1, "alerts": [], "total_sd": 0.373, "total_ci95": [68.799, 70.165], "relegate_reason": [], "submitted_at": 1788967913, "scored_at": 1788969567, "rank": 358}, {"candidate_id": "ODC-CF76D3", "res_at": 1788224257, "skeleton": "VHQURCMQMBJIFB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R01", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 69.423, "axes": {"activity": 19.78, "binding": 17.91, "selectivity": 17.91, "admet": 4.99, "novelty": 5.2, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.787, "fraction": 0.659}, "binding": {"pIC50": 7.69, "LE": 0.301, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 218.5, "selectivity_term": 1.0, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.408, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.177, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.786547073350647, "aff_pf": -1.6860260963439941, "aff_hs": 0.6533474922180176, "repeats_pf": {"runs": 3, "values": [-1.6667, -1.7274, -1.664], "mean": -1.686, "spread": 0.0635}, "repeats_hs": {"runs": 3, "values": [0.6316, 0.5938, 0.7346], "mean": 0.6533, "spread": 0.1408}, "at": 1788224257}, "tier": 1, "alerts": [], "total_sd": 0.279, "total_ci95": [69.032, 70.188], "relegate_reason": [], "submitted_at": 1788165650, "scored_at": 1788224257, "rank": 359}, {"candidate_id": "ODC-911601", "res_at": 1787733412, "skeleton": "YGLXYCADGQBHLX", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5OMe-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 69.419, "axes": {"activity": 26.93, "binding": 18.31, "selectivity": 10.46, "admet": 3.66, "novelty": 6.25, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.216, "fraction": 0.898}, "binding": {"pIC50": 7.75, "LE": 0.312, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.46, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.549, "herg": 0.266, "dili": 0.193}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.216025937647267, "aff_pf": -1.7462937037150066, "aff_hs": -0.6032834053039551, "repeats_pf": {"runs": 3, "values": [-1.7368, -1.7674, -1.7347], "mean": -1.7463, "spread": 0.0326}, "repeats_hs": {"runs": 3, "values": [-0.5838, -0.5279, -0.6982], "mean": -0.6033, "spread": 0.1703}, "at": 1787733412}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728408, "scored_at": 1787733412, "alerts": [], "rank": 360}, {"candidate_id": "ODC-DF54AA", "res_at": 1788097061, "skeleton": "UKQUKOFTAHHCOD", "hf_user": "Ku-ku", "display_name": "KK-M-0830-898", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 69.36, "axes": {"activity": 27.02, "binding": 13.91, "selectivity": 11.62, "admet": 7.85, "novelty": 6.08, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 6.221, "fraction": 0.901}, "binding": {"pIC50": 7.09, "LE": 0.36, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.8, "selectivity_term": 0.835, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.403, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.618, "herg": 0.182, "dili": 0.216}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "0", "pAct_q10": 6.221023181621921, "aff_pf": -1.086146314938863, "aff_hs": 0.5842539568742117, "repeats_pf": {"runs": 3, "values": [-1.021, -1.0543, -1.1832], "mean": -1.0861, "spread": 0.1622}, "repeats_hs": {"runs": 3, "values": [0.6347, 0.494, 0.6241], "mean": 0.5843, "spread": 0.1406}, "at": 1788097061}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.764, "total_ci95": [68.039, 70.939], "relegate_reason": [], "submitted_at": 1788095883, "scored_at": 1788097061, "rank": 361}, {"candidate_id": "ODC-D17B86", "res_at": 1788013681, "skeleton": "ZPVLKLDYGWKLAG", "hf_user": "Ku-ku", "display_name": "KK-M-0829-553", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 69.346, "axes": {"activity": 22.11, "binding": 17.47, "selectivity": 16.76, "admet": 3.85, "novelty": 6.49, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.927, "fraction": 0.737}, "binding": {"pIC50": 7.62, "LE": 0.387, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.9, "selectivity_term": 0.959, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.583, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.384, "ld50-zhu": 0.505, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "0", "pAct_q10": 5.926735557439369, "aff_pf": -1.6209380626678467, "aff_hs": 0.29761262734731037, "repeats_pf": {"runs": 3, "values": [-1.6053, -1.6061, -1.6514], "mean": -1.6209, "spread": 0.0461}, "repeats_hs": {"runs": 3, "values": [0.2835, 0.2891, 0.3203], "mean": 0.2976, "spread": 0.0368}, "at": 1788013681}, "tier": 1, "alerts": [], "total_sd": 0.364, "total_ci95": [68.836, 70.165], "relegate_reason": [], "submitted_at": 1787992069, "scored_at": 1788013681, "rank": 362}, {"candidate_id": "ODC-FD52D6", "res_at": 1786956275, "skeleton": "LMHXLAJIIDOABP", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 69.329, "axes": {"activity": 16.92, "binding": 20.0, "selectivity": 18.29, "admet": 4.4, "novelty": 5.35, "synthesis": 4.36}, "detail": {"activity": {"pAct_q10": 5.615, "fraction": 0.564}, "binding": {"pIC50": 8.0, "LE": 0.354, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.5, "selectivity_term": 0.915, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.358, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.32}}, "novelty": {"max_tanimoto": 0.465, "novelty": 0.535}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.615366560024111, "aff_pf": -2.000279188156128, "aff_hs": -0.17083618541558585, "repeats_pf": {"runs": 3, "values": [-2.0054, -2.0005, -1.995], "mean": -2.0003, "spread": 0.0105}, "repeats_hs": {"runs": 3, "values": [-0.1447, -0.2238, -0.1439], "mean": -0.1708, "spread": 0.0799}, "at": 1786956275}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956084, "scored_at": 1786956275, "alerts": [], "rank": 363}, {"candidate_id": "ODC-6B2565", "res_at": 1786986746, "skeleton": "UEHVQVYGGUUFGH", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 69.26, "axes": {"activity": 23.26, "binding": 18.09, "selectivity": 14.57, "admet": 3.54, "novelty": 6.31, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.995, "fraction": 0.775}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.938, "efficiency_cap": 0.964}, "selectivity": {"fold": 35.8, "selectivity_term": 0.777, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 0.616, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.764, "herg": 0.301, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.995494115220238, "aff_pf": -1.8138484557469685, "aff_hs": -0.2603851805130641, "repeats_pf": {"runs": 3, "values": [-1.887, -1.7393, -1.8153], "mean": -1.8138, "spread": 0.1477}, "repeats_hs": {"runs": 3, "values": [-0.44, -0.1266, -0.2146], "mean": -0.2604, "spread": 0.3134}, "at": 1786986746}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981519, "scored_at": 1786986746, "alerts": [], "rank": 364}, {"candidate_id": "ODC-6F1E65", "res_at": 1788922011, "skeleton": "KENCPJROHYCZLT", "hf_user": "Ku-ku", "display_name": "KK-M-0909-848", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 69.252, "axes": {"activity": 30.0, "binding": 11.68, "selectivity": 11.34, "admet": 5.67, "novelty": 6.84, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.56, "fraction": 1.0}, "binding": {"pIC50": 6.75, "LE": 0.308, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 87.6, "selectivity_term": 0.971, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.778, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.628, "ld50-zhu": 0.673, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 6.560490667456314, "aff_pf": -0.7517488201459249, "aff_hs": 1.1908742984135945, "repeats_pf": {"runs": 3, "values": [-0.7934, -0.683, -0.7789], "mean": -0.7517, "spread": 0.1104}, "repeats_hs": {"runs": 3, "values": [1.1699, 1.2234, 1.1793], "mean": 1.1909, "spread": 0.0535}, "at": 1788922011}, "tier": 1, "alerts": [], "total_sd": 0.549, "total_ci95": [67.962, 70.048], "relegate_reason": [], "submitted_at": 1788905842, "scored_at": 1788922011, "rank": 365}, {"candidate_id": "ODC-536009", "res_at": 1788827582, "skeleton": "PIHZGCBVFYJVPK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0908-02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCOC1", "total": 69.21, "axes": {"activity": 30.0, "binding": 11.76, "selectivity": 11.41, "admet": 5.47, "novelty": 7.36, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 6.476, "fraction": 1.0}, "binding": {"pIC50": 6.99, "LE": 0.266, "potency_term": 0.663, "efficiency_cap": 0.887}, "selectivity": {"fold": 52.5, "selectivity_term": 0.86, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.472, "caco2-wang": 0.504, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.578, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.572, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "0", "pAct_q10": 6.475502718228353, "aff_pf": -0.9898476799329122, "aff_hs": 0.7303781906763712, "repeats_pf": {"runs": 3, "values": [-0.9927, -0.9889, -0.9879], "mean": -0.9898, "spread": 0.0048}, "repeats_hs": {"runs": 3, "values": [0.9285, 0.5405, 0.7222], "mean": 0.7304, "spread": 0.388}, "at": 1788827582}, "tier": 1, "alerts": [], "total_sd": 0.628, "total_ci95": [67.951, 70.524], "relegate_reason": [], "submitted_at": 1788826634, "scored_at": 1788827582, "rank": 366}, {"candidate_id": "ODC-BD98F9", "res_at": 1787504288, "skeleton": "OYCXPPZIXNAFEV", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········C)CC1", "total": 69.124, "axes": {"activity": 25.55, "binding": 20.0, "selectivity": 7.88, "admet": 4.73, "novelty": 7.09, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.133, "fraction": 0.852}, "binding": {"pIC50": 8.24, "LE": 0.314, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.141, "dili": 0.324}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.133003917390553, "aff_pf": -2.242565711339315, "aff_hs": -1.4546443621317546, "repeats_pf": {"runs": 3, "values": [-2.2529, -2.2023, -2.2725], "mean": -2.2426, "spread": 0.0701}, "repeats_hs": {"runs": 3, "values": [-1.475, -1.4547, -1.4342], "mean": -1.4546, "spread": 0.0409}, "at": 1787504288}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497706, "scored_at": 1787504288, "alerts": [], "rank": 367}, {"candidate_id": "ODC-C70083", "res_at": 1788558179, "skeleton": "GHVXNRBHOQCLIL", "hf_user": "1Dmeds", "display_name": "ODC26-S1D15", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)NC··········CCCC1", "total": 69.113, "axes": {"activity": 29.52, "binding": 14.38, "selectivity": 9.5, "admet": 4.97, "novelty": 6.85, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.371, "fraction": 0.984}, "binding": {"pIC50": 7.27, "LE": 0.285, "potency_term": 0.758, "efficiency_cap": 0.949}, "selectivity": {"fold": 18.0, "selectivity_term": 0.627, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.171, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.802, "herg": 0.277, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.371487447361864, "aff_pf": -1.2732727527618408, "aff_hs": -0.019076377153396606, "repeats_pf": {"runs": 3, "values": [-1.2256, -1.4098, -1.1845], "mean": -1.2733, "spread": 0.2253}, "repeats_hs": {"runs": 3, "values": [-0.0304, -0.019, -0.0079], "mean": -0.0191, "spread": 0.0225}, "at": 1788558179}, "tier": 1, "alerts": [], "total_sd": 1.186, "total_ci95": [67.392, 71.93], "relegate_reason": [], "submitted_at": 1788517850, "scored_at": 1788558179, "rank": 368}, {"candidate_id": "ODC-C4317C", "res_at": 1788551505, "skeleton": "FSSIQLFCEMFSPX", "hf_user": "1Dmeds", "display_name": "ODC26-S1D04", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 69.015, "axes": {"activity": 29.87, "binding": 15.13, "selectivity": 7.95, "admet": 4.95, "novelty": 7.3, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.392, "fraction": 0.996}, "binding": {"pIC50": 7.41, "LE": 0.282, "potency_term": 0.804, "efficiency_cap": 0.94}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.403, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.123, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.392088508784584, "aff_pf": -1.413309653600057, "aff_hs": -0.4256548583507538, "repeats_pf": {"runs": 3, "values": [-1.4733, -1.4157, -1.3509], "mean": -1.4133, "spread": 0.1224}, "repeats_hs": {"runs": 3, "values": [-0.0399, -0.5562, -0.6809], "mean": -0.4257, "spread": 0.641}, "at": 1788551505}, "tier": 1, "alerts": [], "total_sd": 1.417, "total_ci95": [66.53, 71.627], "relegate_reason": [], "submitted_at": 1788524457, "scored_at": 1788551505, "rank": 369}, {"candidate_id": "ODC-6619AA", "res_at": 1788310855, "skeleton": "MWDUDTNSQJAFQG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-C-Y-C3-sp7-CN", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 69.013, "axes": {"activity": 29.82, "binding": 14.78, "selectivity": 9.55, "admet": 3.81, "novelty": 7.26, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.389, "fraction": 0.994}, "binding": {"pIC50": 7.47, "LE": 0.269, "potency_term": 0.823, "efficiency_cap": 0.898}, "selectivity": {"fold": 14.5, "selectivity_term": 0.58, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.681, "herg": 0.09, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.3892178770967325, "aff_pf": -1.4697874387105305, "aff_hs": -0.30936726927757263, "repeats_pf": {"runs": 3, "values": [-1.3159, -1.6795, -1.414], "mean": -1.4698, "spread": 0.3636}, "repeats_hs": {"runs": 3, "values": [-0.2816, -0.2953, -0.3512], "mean": -0.3094, "spread": 0.0696}, "at": 1788310855}, "tier": 1, "alerts": [], "total_sd": 1.728, "total_ci95": [66.024, 71.707], "relegate_reason": [], "submitted_at": 1788302135, "scored_at": 1788310855, "rank": 370}, {"candidate_id": "ODC-964C59", "res_at": 1788231915, "skeleton": "AMSHNORTENPWDT", "hf_user": "Ku-ku", "display_name": "KK-M-0831-852", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCC2F", "total": 69.004, "axes": {"activity": 30.0, "binding": 12.64, "selectivity": 11.54, "admet": 4.78, "novelty": 6.85, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 6.463, "fraction": 1.0}, "binding": {"pIC50": 6.9, "LE": 0.326, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.1, "selectivity_term": 0.913, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.725, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 6.463079806167889, "aff_pf": -0.8955672979354858, "aff_hs": 0.9311399459838867, "repeats_pf": {"runs": 3, "values": [-0.9621, -0.8548, -0.8698], "mean": -0.8956, "spread": 0.1073}, "repeats_hs": {"runs": 3, "values": [0.8414, 1.0182, 0.9339], "mean": 0.9311, "spread": 0.1768}, "at": 1788231915}, "tier": 1, "alerts": [], "total_sd": 0.611, "total_ci95": [67.961, 70.153], "relegate_reason": [], "submitted_at": 1788186838, "scored_at": 1788231915, "rank": 371}, {"candidate_id": "ODC-389B58", "res_at": 1787188487, "skeleton": "JTFVYSQQEOMLQS", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 68.995, "axes": {"activity": 22.3, "binding": 19.01, "selectivity": 11.57, "admet": 6.39, "novelty": 5.61, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.938, "fraction": 0.743}, "binding": {"pIC50": 7.85, "LE": 0.468, "potency_term": 0.951, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.5, "selectivity_term": 0.609, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.413, "herg": 0.892, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.937808185129387, "aff_pf": -1.8520385424296062, "aff_hs": -0.6349876721700033, "repeats_pf": {"runs": 3, "values": [-1.8635, -1.8532, -1.8394], "mean": -1.852, "spread": 0.0241}, "repeats_hs": {"runs": 3, "values": [-0.5977, -0.4447, -0.8625], "mean": -0.635, "spread": 0.4178}, "at": 1787188487}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184858, "scored_at": 1787188487, "alerts": [], "rank": 372}, {"candidate_id": "ODC-836B95", "res_at": 1789142200, "skeleton": "NBECBWGOOLDFOO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-WA-05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········COCC1", "total": 68.973, "axes": {"activity": 29.9, "binding": 13.47, "selectivity": 10.04, "admet": 4.72, "novelty": 6.95, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.394, "fraction": 0.997}, "binding": {"pIC50": 7.21, "LE": 0.274, "potency_term": 0.736, "efficiency_cap": 0.914}, "selectivity": {"fold": 23.1, "selectivity_term": 0.682, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.08, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.394102311924188, "aff_pf": -1.2089009682337444, "aff_hs": 0.15433252851168314, "repeats_pf": {"runs": 3, "values": [-1.2724, -1.2016, -1.1527], "mean": -1.2089, "spread": 0.1197}, "repeats_hs": {"runs": 3, "values": [-0.1367, 0.2906, 0.3091], "mean": 0.1543, "spread": 0.4458}, "at": 1789142200}, "tier": 1, "alerts": [], "total_sd": 1.177, "total_ci95": [66.692, 71.331], "relegate_reason": [], "submitted_at": 1789141673, "scored_at": 1789142200, "rank": 373}, {"candidate_id": "ODC-5C8A73", "res_at": 1787168223, "skeleton": "NQXUVYBZTPDRPK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 68.956, "axes": {"activity": 29.74, "binding": 17.51, "selectivity": 6.56, "admet": 3.89, "novelty": 7.3, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.385, "fraction": 0.991}, "binding": {"pIC50": 7.8, "LE": 0.281, "potency_term": 0.934, "efficiency_cap": 0.938}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.057, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.384602421714268, "aff_pf": -1.8011117378870647, "aff_hs": -1.0983939170837402, "repeats_pf": {"runs": 3, "values": [-1.8192, -1.7874, -1.7968], "mean": -1.8011, "spread": 0.0318}, "repeats_hs": {"runs": 3, "values": [-1.2483, -1.0215, -1.0254], "mean": -1.0984, "spread": 0.2269}, "at": 1787168223}, "tier": 1, "relegate_reason": [], "submitted_at": 1787161949, "scored_at": 1787168223, "alerts": [], "rank": 374}, {"candidate_id": "ODC-A2D1E6", "res_at": 1786971728, "skeleton": "JEEQICPJYIWAJM", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCNC··········)CCC1", "total": 68.945, "axes": {"activity": 16.42, "binding": 20.0, "selectivity": 18.27, "admet": 4.67, "novelty": 5.42, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 5.585, "fraction": 0.547}, "binding": {"pIC50": 8.17, "LE": 0.35, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.1, "selectivity_term": 0.913, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.378, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.313}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.585452839989814, "aff_pf": -2.1689632733662925, "aff_hs": -0.3422461400429408, "repeats_pf": {"runs": 3, "values": [-2.153, -2.1793, -2.1746], "mean": -2.169, "spread": 0.0263}, "repeats_hs": {"runs": 3, "values": [-0.273, -0.5436, -0.2101], "mean": -0.3422, "spread": 0.3335}, "at": 1786971728}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971531, "scored_at": 1786971728, "alerts": [], "rank": 375}, {"candidate_id": "ODC-D5CB32", "res_at": 1789141803, "skeleton": "FYEXEUOKNIAYNA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-WA-02", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········(F)C1", "total": 68.923, "axes": {"activity": 26.01, "binding": 16.23, "selectivity": 13.18, "admet": 4.35, "novelty": 5.99, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 6.16, "fraction": 0.867}, "binding": {"pIC50": 7.54, "LE": 0.287, "potency_term": 0.848, "efficiency_cap": 0.957}, "selectivity": {"fold": 35.9, "selectivity_term": 0.777, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.125, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.875, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 6.160401952157345, "aff_pf": -1.5437259674072266, "aff_hs": 0.011190240581830343, "repeats_pf": {"runs": 3, "values": [-1.5497, -1.4666, -1.6148], "mean": -1.5437, "spread": 0.1482}, "repeats_hs": {"runs": 3, "values": [0.3856, -0.4493, 0.0972], "mean": 0.0112, "spread": 0.8348}, "at": 1789141803}, "tier": 1, "alerts": [], "total_sd": 1.844, "total_ci95": [65.018, 72.434], "relegate_reason": [], "submitted_at": 1789141597, "scored_at": 1789141803, "rank": 376}, {"candidate_id": "ODC-28F459", "res_at": 1789444607, "skeleton": "BLVYAYXYEJNKBS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-Ring8-ArH-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 68.897, "axes": {"activity": 30.0, "binding": 12.69, "selectivity": 12.01, "admet": 3.06, "novelty": 7.06, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.637, "fraction": 1.0}, "binding": {"pIC50": 7.2, "LE": 0.26, "potency_term": 0.733, "efficiency_cap": 0.865}, "selectivity": {"fold": 43.4, "selectivity_term": 0.819, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.204, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.387, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.071, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.509, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 6.636580293660725, "aff_pf": -1.1999098857243855, "aff_hs": 0.43770994742711383, "repeats_pf": {"runs": 3, "values": [-1.2258, -1.2546, -1.1193], "mean": -1.1999, "spread": 0.1353}, "repeats_hs": {"runs": 3, "values": [0.391, 0.4679, 0.4543], "mean": 0.4377, "spread": 0.0769}, "at": 1789444607}, "tier": 1, "alerts": [], "total_sd": 0.653, "total_ci95": [67.653, 69.98], "relegate_reason": [], "submitted_at": 1789444254, "scored_at": 1789444607, "rank": 377}, {"candidate_id": "ODC-B30D88", "res_at": 1787636408, "skeleton": "FGEDQYYHPPCKRS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 68.895, "axes": {"activity": 27.32, "binding": 18.06, "selectivity": 8.74, "admet": 4.66, "novelty": 6.5, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 6.239, "fraction": 0.911}, "binding": {"pIC50": 7.71, "LE": 0.302, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.484, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.402, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.296, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.2392297159788885, "aff_pf": -1.709452509880066, "aff_hs": -0.7421585520108541, "repeats_pf": {"runs": 3, "values": [-1.7671, -1.644, -1.7173], "mean": -1.7095, "spread": 0.1231}, "repeats_hs": {"runs": 3, "values": [-0.5644, -0.7961, -0.866], "mean": -0.7422, "spread": 0.3016}, "at": 1787636408}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635193, "scored_at": 1787636408, "alerts": [], "rank": 378}, {"candidate_id": "ODC-3FED98", "res_at": 1788168139, "skeleton": "AUFZDDKGFXTBEV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 68.869, "axes": {"activity": 30.0, "binding": 16.55, "selectivity": 6.25, "admet": 4.93, "novelty": 7.27, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.542, "fraction": 1.0}, "binding": {"pIC50": 7.58, "LE": 0.289, "potency_term": 0.86, "efficiency_cap": 0.962}, "selectivity": {"fold": 5.3, "selectivity_term": 0.363, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.428, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.768, "herg": 0.131, "dili": 0.172}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 6.542356354474101, "aff_pf": -1.581445852915446, "aff_hs": -0.8549981315930685, "repeats_pf": {"runs": 3, "values": [-1.5557, -1.6006, -1.588], "mean": -1.5814, "spread": 0.0449}, "repeats_hs": {"runs": 3, "values": [-0.7729, -0.9745, -0.8176], "mean": -0.855, "spread": 0.2016}, "at": 1788168139}, "tier": 1, "alerts": [], "total_sd": 0.514, "total_ci95": [67.841, 69.706], "relegate_reason": [], "submitted_at": 1788165774, "scored_at": 1788168139, "rank": 379}, {"candidate_id": "ODC-1C79D5", "res_at": 1787061382, "skeleton": "APSAMLUMVRKVAD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 68.849, "axes": {"activity": 17.71, "binding": 19.75, "selectivity": 16.74, "admet": 3.72, "novelty": 7.05, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.662, "fraction": 0.59}, "binding": {"pIC50": 7.96, "LE": 0.303, "potency_term": 0.988, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.5, "selectivity_term": 0.848, "target_engagement": 0.988}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.827, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.662477278414752, "aff_pf": -1.9630505243937175, "aff_hs": -0.26802465816338855, "repeats_pf": {"runs": 3, "values": [-1.9352, -1.9586, -1.9954], "mean": -1.9631, "spread": 0.0602}, "repeats_hs": {"runs": 3, "values": [-0.4155, -0.1755, -0.2131], "mean": -0.268, "spread": 0.24}, "at": 1787061382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787060782, "scored_at": 1787061382, "alerts": [], "rank": 380}, {"candidate_id": "ODC-36BF20", "res_at": 1787149646, "skeleton": "BZJDPAYLZFENDP", "hf_user": "takutoyo", "display_name": "PfD8-A2", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 68.823, "axes": {"activity": 23.69, "binding": 17.62, "selectivity": 13.39, "admet": 5.27, "novelty": 5.37, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.021, "fraction": 0.79}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.881, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.1, "selectivity_term": 0.76, "target_engagement": 0.881}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.422, "herg": 0.539, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.02149113756974, "aff_pf": -1.642398476600647, "aff_hs": -0.12230373670657475, "repeats_pf": {"runs": 3, "values": [-1.6794, -1.6792, -1.5686], "mean": -1.6424, "spread": 0.1109}, "repeats_hs": {"runs": 3, "values": [-0.0934, -0.2021, -0.0714], "mean": -0.1223, "spread": 0.1306}, "at": 1787149646}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147914, "scored_at": 1787149646, "alerts": [], "rank": 381}, {"candidate_id": "ODC-19EE1C", "res_at": 1787013946, "skeleton": "HFUGAEGQLCITHO", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 68.815, "axes": {"activity": 28.4, "binding": 15.44, "selectivity": 9.48, "admet": 4.92, "novelty": 6.76, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.304, "fraction": 0.947}, "binding": {"pIC50": 7.35, "LE": 0.296, "potency_term": 0.782, "efficiency_cap": 0.987}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.069, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.067, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 6.303932789590652, "aff_pf": -1.3471152782440186, "aff_hs": -0.13496792316436768, "repeats_pf": {"runs": 3, "values": [-1.3938, -1.323, -1.3246], "mean": -1.3471, "spread": 0.0708}, "repeats_hs": {"runs": 3, "values": [-0.3207, -0.3434, 0.2591], "mean": -0.135, "spread": 0.6025}, "at": 1787013946}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013540, "scored_at": 1787013946, "alerts": [], "rank": 382}, {"candidate_id": "ODC-12B4A2", "res_at": 1787206218, "skeleton": "HZPXMFPSWKXGCI", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 68.805, "axes": {"activity": 30.0, "binding": 12.57, "selectivity": 10.17, "admet": 4.91, "novelty": 6.82, "synthesis": 4.33}, "detail": {"activity": {"pAct_q10": 6.645, "fraction": 1.0}, "binding": {"pIC50": 7.05, "LE": 0.276, "potency_term": 0.683, "efficiency_cap": 0.92}, "selectivity": {"fold": 30.8, "selectivity_term": 0.744, "target_engagement": 0.683}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.399, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.201, "dili": 0.224}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 6.645039806180296, "aff_pf": -1.050282617410024, "aff_hs": 0.4376913011074066, "repeats_pf": {"runs": 3, "values": [-1.0657, -0.9506, -1.1346], "mean": -1.0503, "spread": 0.1841}, "repeats_hs": {"runs": 3, "values": [0.4464, 0.4368, 0.4299], "mean": 0.4377, "spread": 0.0165}, "at": 1787206218}, "tier": 1, "relegate_reason": [], "submitted_at": 1787201867, "scored_at": 1787206218, "alerts": [], "rank": 383}, {"candidate_id": "ODC-9B8CE7", "res_at": 1786957158, "skeleton": "OILGVKKCXOTZBL", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 68.741, "axes": {"activity": 24.76, "binding": 18.46, "selectivity": 11.59, "admet": 3.69, "novelty": 6.27, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.086, "fraction": 0.825}, "binding": {"pIC50": 7.77, "LE": 0.323, "potency_term": 0.923, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.0, "selectivity_term": 0.628, "target_engagement": 0.923}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.536, "herg": 0.11, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 6.085886270030421, "aff_pf": -1.768908937772115, "aff_hs": -0.5129112501939138, "repeats_pf": {"runs": 3, "values": [-1.7507, -1.7812, -1.7748], "mean": -1.7689, "spread": 0.0305}, "repeats_hs": {"runs": 3, "values": [-0.4765, -0.5352, -0.527], "mean": -0.5129, "spread": 0.0587}, "at": 1786957158}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956152, "scored_at": 1786957158, "alerts": [], "rank": 384}, {"candidate_id": "ODC-7CCC17", "res_at": 1786986365, "skeleton": "UQWHJXLOSYVXDT", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 68.739, "axes": {"activity": 18.23, "binding": 18.74, "selectivity": 17.83, "admet": 3.86, "novelty": 6.25, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.694, "fraction": 0.608}, "binding": {"pIC50": 7.89, "LE": 0.292, "potency_term": 0.962, "efficiency_cap": 0.973}, "selectivity": {"fold": 71.2, "selectivity_term": 0.926, "target_engagement": 0.962}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.285, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.811, "herg": 0.114, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.693683934355385, "aff_pf": -1.8871758381525676, "aff_hs": -0.03494027256965637, "repeats_pf": {"runs": 3, "values": [-1.9358, -1.8752, -1.8505], "mean": -1.8872, "spread": 0.0852}, "repeats_hs": {"runs": 3, "values": [-0.1041, -0.087, 0.0863], "mean": -0.0349, "spread": 0.1904}, "at": 1786986365}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981248, "scored_at": 1786986365, "alerts": [], "rank": 385}, {"candidate_id": "ODC-185477", "res_at": 1786938457, "skeleton": "UGVWQQVIDQHRCW", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 68.68, "axes": {"activity": 30.0, "binding": 11.01, "selectivity": 11.56, "admet": 5.14, "novelty": 6.63, "synthesis": 4.34}, "detail": {"activity": {"pAct_q10": 6.629, "fraction": 1.0}, "binding": {"pIC50": 6.85, "LE": 0.268, "potency_term": 0.616, "efficiency_cap": 0.894}, "selectivity": {"fold": 75.0, "selectivity_term": 0.938, "target_engagement": 0.616}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 0.22, "dili": 0.19}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 6.6288279557493865, "aff_pf": -0.8489113847414652, "aff_hs": 1.0262281099955242, "repeats_pf": {"runs": 3, "values": [-0.7976, -0.8245, -0.9246], "mean": -0.8489, "spread": 0.127}, "repeats_hs": {"runs": 3, "values": [0.9418, 1.0912, 1.0457], "mean": 1.0262, "spread": 0.1495}, "at": 1786938457}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926515, "scored_at": 1786938457, "alerts": [], "rank": 386}, {"candidate_id": "ODC-EE3B89", "res_at": 1788563549, "skeleton": "NLNDGSMRNHYWCP", "hf_user": "1Dmeds", "display_name": "ODC26-S1D02", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 68.639, "axes": {"activity": 25.49, "binding": 14.0, "selectivity": 14.85, "admet": 4.84, "novelty": 6.12, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 6.129, "fraction": 0.85}, "binding": {"pIC50": 7.23, "LE": 0.283, "potency_term": 0.742, "efficiency_cap": 0.943}, "selectivity": {"fold": 299.8, "selectivity_term": 1.0, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.295, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.084, "cyp2c9-veith": 0.586, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.729, "herg": 0.241, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.1291551903184835, "aff_pf": -1.2272512118021648, "aff_hs": 1.2496305704116821, "repeats_pf": {"runs": 3, "values": [-1.2944, -1.1289, -1.2585], "mean": -1.2273, "spread": 0.1655}, "repeats_hs": {"runs": 3, "values": [1.3158, 1.1309, 1.3022], "mean": 1.2496, "spread": 0.1849}, "at": 1788563549}, "tier": 1, "alerts": [], "total_sd": 0.585, "total_ci95": [67.183, 69.463], "relegate_reason": [], "submitted_at": 1788524438, "scored_at": 1788563549, "rank": 387}, {"candidate_id": "ODC-F7DAE1", "res_at": 1787086865, "skeleton": "YAHXQOYGXLBZFK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········(F)C1", "total": 68.587, "axes": {"activity": 29.1, "binding": 17.57, "selectivity": 6.6, "admet": 4.64, "novelty": 7.05, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.346, "fraction": 0.97}, "binding": {"pIC50": 7.7, "LE": 0.293, "potency_term": 0.899, "efficiency_cap": 0.977}, "selectivity": {"fold": 5.4, "selectivity_term": 0.367, "target_engagement": 0.899}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "2", "pAct_q10": 6.345858339723376, "aff_pf": -1.6984002987543743, "aff_hs": -0.9644304513931274, "repeats_pf": {"runs": 3, "values": [-1.534, -1.8225, -1.7387], "mean": -1.6984, "spread": 0.2885}, "repeats_hs": {"runs": 3, "values": [-0.9893, -1.0564, -0.8476], "mean": -0.9644, "spread": 0.2088}, "at": 1787086865}, "tier": 1, "relegate_reason": [], "submitted_at": 1787076178, "scored_at": 1787086865, "alerts": [], "rank": 388}, {"candidate_id": "ODC-C4A758", "res_at": 1788167171, "skeleton": "YPROITYRKHRAIS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-H04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 68.582, "axes": {"activity": 30.0, "binding": 14.03, "selectivity": 8.83, "admet": 4.57, "novelty": 6.99, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.453, "fraction": 1.0}, "binding": {"pIC50": 7.33, "LE": 0.271, "potency_term": 0.776, "efficiency_cap": 0.904}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.534, "herg": 0.223, "dili": 0.152}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 6.452562943563048, "aff_pf": -1.3269977172215779, "aff_hs": -0.18885024636983871, "repeats_pf": {"runs": 3, "values": [-1.5958, -1.1742, -1.211], "mean": -1.327, "spread": 0.4216}, "repeats_hs": {"runs": 3, "values": [-0.354, -0.257, 0.0444], "mean": -0.1889, "spread": 0.3984}, "at": 1788167171}, "tier": 1, "alerts": [], "total_sd": 2.231, "total_ci95": [65.192, 74.991], "relegate_reason": [], "submitted_at": 1788165632, "scored_at": 1788167171, "rank": 389}, {"candidate_id": "ODC-EE1376", "res_at": 1787886632, "skeleton": "GWYYODRGZIKGNN", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L18", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCC2F", "total": 68.578, "axes": {"activity": 25.99, "binding": 18.02, "selectivity": 11.15, "admet": 4.52, "novelty": 6.05, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.16, "fraction": 0.866}, "binding": {"pIC50": 7.7, "LE": 0.406, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.46, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "3", "pAct_q10": 6.1595421228178875, "aff_pf": -1.70295254389445, "aff_hs": -0.46590110659599304, "repeats_pf": {"runs": 3, "values": [-1.6573, -1.7302, -1.7213], "mean": -1.703, "spread": 0.0729}, "repeats_hs": {"runs": 3, "values": [-0.3851, -0.3119, -0.7006], "mean": -0.4659, "spread": 0.3887}, "at": 1787886632}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822367, "scored_at": 1787886632, "alerts": [], "rank": 390}, {"candidate_id": "ODC-BE0860", "res_at": 1787663860, "skeleton": "AXJRYDSQOHCPLL", "hf_user": "1Dmeds", "display_name": "ODC26-YCl-propyl-C4", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 68.576, "axes": {"activity": 25.27, "binding": 14.73, "selectivity": 15.05, "admet": 4.34, "novelty": 5.78, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 6.116, "fraction": 0.842}, "binding": {"pIC50": 7.26, "LE": 0.293, "potency_term": 0.755, "efficiency_cap": 0.976}, "selectivity": {"fold": 98.6, "selectivity_term": 0.997, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.41, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.055, "dili": 0.291}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.115979470362385, "aff_pf": -1.2646368344624836, "aff_hs": 0.7294427553812662, "repeats_pf": {"runs": 3, "values": [-1.2326, -1.278, -1.2833], "mean": -1.2646, "spread": 0.0507}, "repeats_hs": {"runs": 3, "values": [0.6891, 0.7689, 0.7304], "mean": 0.7294, "spread": 0.0798}, "at": 1787663860}, "tier": 1, "relegate_reason": [], "submitted_at": 1787663106, "scored_at": 1787663860, "alerts": [], "rank": 391}, {"candidate_id": "ODC-2CD444", "res_at": 1787636603, "skeleton": "IOJDRKGRGXNTKL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 68.574, "axes": {"activity": 30.0, "binding": 12.12, "selectivity": 10.36, "admet": 4.96, "novelty": 7.14, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.403, "fraction": 1.0}, "binding": {"pIC50": 6.99, "LE": 0.274, "potency_term": 0.664, "efficiency_cap": 0.912}, "selectivity": {"fold": 36.3, "selectivity_term": 0.78, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.694, "herg": 0.081, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.403017046109002, "aff_pf": -0.9928462902704874, "aff_hs": 0.5670729478200277, "repeats_pf": {"runs": 3, "values": [-0.9663, -0.991, -1.0212], "mean": -0.9928, "spread": 0.0549}, "repeats_hs": {"runs": 3, "values": [0.5359, 0.6871, 0.4783], "mean": 0.5671, "spread": 0.2088}, "at": 1787636603}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635199, "scored_at": 1787636603, "alerts": [], "rank": 392}, {"candidate_id": "ODC-DFC0E7", "res_at": 1788759114, "skeleton": "JNSAKOQSVPYAAS", "hf_user": "1Dmeds", "display_name": "ODC26-S1D04", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········=CCC1", "total": 68.569, "axes": {"activity": 25.32, "binding": 16.2, "selectivity": 15.14, "admet": 3.02, "novelty": 5.8, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 6.119, "fraction": 0.844}, "binding": {"pIC50": 7.54, "LE": 0.287, "potency_term": 0.847, "efficiency_cap": 0.957}, "selectivity": {"fold": 61.3, "selectivity_term": 0.894, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.552, "herg": 0.093, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 6.1193288290328365, "aff_pf": -1.5407891273498535, "aff_hs": 0.2466810941696167, "repeats_pf": {"runs": 3, "values": [-1.4922, -1.5885, -1.5417], "mean": -1.5408, "spread": 0.0963}, "repeats_hs": {"runs": 3, "values": [0.3325, 0.1588, 0.2488], "mean": 0.2467, "spread": 0.1737}, "at": 1788759114}, "tier": 1, "alerts": [], "total_sd": 0.595, "total_ci95": [67.232, 69.807], "relegate_reason": [], "submitted_at": 1788662968, "scored_at": 1788759114, "rank": 393}, {"candidate_id": "ODC-3ACD44", "res_at": 1786964865, "skeleton": "ZAMJQHBEVPFXIW", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 68.546, "axes": {"activity": 16.07, "binding": 19.14, "selectivity": 18.13, "admet": 6.43, "novelty": 4.25, "synthesis": 4.52}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.536}, "binding": {"pIC50": 7.87, "LE": 0.49, "potency_term": 0.957, "efficiency_cap": 1.0}, "selectivity": {"fold": 78.6, "selectivity_term": 0.948, "target_engagement": 0.957}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.812, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.254, "ld50-zhu": 0.365, "herg": 0.106, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.564111685153998, "aff_pf": -1.8703896601994832, "aff_hs": 0.024977917472521465, "repeats_pf": {"runs": 3, "values": [-1.8518, -1.8775, -1.8818], "mean": -1.8704, "spread": 0.03}, "repeats_hs": {"runs": 3, "values": [-0.0239, -0.174, 0.2728], "mean": 0.025, "spread": 0.4468}, "at": 1786964865}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964413, "scored_at": 1786964865, "alerts": [], "rank": 394}, {"candidate_id": "ODC-1599C9", "res_at": 1787723176, "skeleton": "DMDLMZBYMJHAOJ", "hf_user": "1Dmeds", "display_name": "ODC26-M30-C2", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)CC··········F)CC1", "total": 68.535, "axes": {"activity": 30.0, "binding": 17.69, "selectivity": 5.92, "admet": 4.55, "novelty": 7.18, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 6.446, "fraction": 1.0}, "binding": {"pIC50": 7.71, "LE": 0.293, "potency_term": 0.904, "efficiency_cap": 0.978}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.098, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.809, "herg": 0.05, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 6.445810640382203, "aff_pf": -1.7117595672607422, "aff_hs": -1.05733060836792, "repeats_pf": {"runs": 3, "values": [-1.7807, -1.6365, -1.7181], "mean": -1.7118, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [-0.8644, -1.1106, -1.1971], "mean": -1.0573, "spread": 0.3327}, "at": 1787723176}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719771, "scored_at": 1787723176, "alerts": [], "rank": 395}, {"candidate_id": "ODC-2EC005", "res_at": 1789915776, "skeleton": "RERRIJCYHFIJQY", "hf_user": "Ku-ku", "display_name": "KK-M-0920-314", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 68.493, "axes": {"activity": 25.92, "binding": 15.11, "selectivity": 14.2, "admet": 3.85, "novelty": 6.39, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 6.155, "fraction": 0.864}, "binding": {"pIC50": 7.27, "LE": 0.356, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 75.8, "selectivity_term": 0.94, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.39, "ld50-zhu": 0.595, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "2", "pAct_q10": 6.154901840027555, "aff_pf": -1.266252875328064, "aff_hs": 0.6132264733314514, "repeats_pf": {"runs": 3, "values": [-1.2155, -1.2805, -1.3028], "mean": -1.2663, "spread": 0.0873}, "repeats_hs": {"runs": 3, "values": [0.6852, 0.6233, 0.5312], "mean": 0.6132, "spread": 0.154}, "at": 1789915776}, "tier": 1, "alerts": [], "total_sd": 0.527, "total_ci95": [67.437, 69.33], "relegate_reason": [], "submitted_at": 1789885826, "scored_at": 1789915776, "rank": 396}, {"candidate_id": "ODC-6885F5", "res_at": 1787244041, "skeleton": "SSHQMOKELNGTHQ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-03", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 68.457, "axes": {"activity": 22.24, "binding": 16.55, "selectivity": 14.71, "admet": 6.71, "novelty": 4.67, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.934, "fraction": 0.741}, "binding": {"pIC50": 7.48, "LE": 0.427, "potency_term": 0.828, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.8, "selectivity_term": 0.888, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.654, "cyp3a4-substrate-carbonmangels": 0.411, "ld50-zhu": 0.353, "herg": 0.973, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.9342031856941295, "aff_pf": -1.4830943743387859, "aff_hs": 0.29386699696381885, "repeats_pf": {"runs": 3, "values": [-1.4868, -1.4716, -1.4908], "mean": -1.4831, "spread": 0.0192}, "repeats_hs": {"runs": 3, "values": [0.4455, 0.2942, 0.1419], "mean": 0.2939, "spread": 0.3036}, "at": 1787244041}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238527, "scored_at": 1787244041, "alerts": [], "rank": 397}, {"candidate_id": "ODC-BB93D0", "res_at": 1788575161, "skeleton": "BJRSVWFLTAHVIL", "hf_user": "1Dmeds", "display_name": "ODC26-S1D18", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 68.422, "axes": {"activity": 18.66, "binding": 17.67, "selectivity": 18.43, "admet": 4.04, "novelty": 6.12, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.719, "fraction": 0.622}, "binding": {"pIC50": 7.77, "LE": 0.288, "potency_term": 0.922, "efficiency_cap": 0.958}, "selectivity": {"fold": 109.5, "selectivity_term": 1.0, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.7193023998101085, "aff_pf": -1.7650107542673747, "aff_hs": 0.27433451016743976, "repeats_pf": {"runs": 3, "values": [-1.8873, -1.6251, -1.7826], "mean": -1.765, "spread": 0.2622}, "repeats_hs": {"runs": 3, "values": [0.3098, 0.2905, 0.2227], "mean": 0.2743, "spread": 0.0871}, "at": 1788575161}, "tier": 1, "alerts": [], "total_sd": 1.606, "total_ci95": [64.798, 70.359], "relegate_reason": [], "submitted_at": 1788555482, "scored_at": 1788575161, "rank": 398}, {"candidate_id": "ODC-1BE8AE", "res_at": 1786924991, "skeleton": "CPYNZMWDNVUMCO", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 68.417, "axes": {"activity": 18.31, "binding": 18.42, "selectivity": 18.42, "admet": 3.97, "novelty": 5.48, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.699, "fraction": 0.61}, "binding": {"pIC50": 7.76, "LE": 0.343, "potency_term": 0.921, "efficiency_cap": 1.0}, "selectivity": {"fold": 176.7, "selectivity_term": 1.0, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.48, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "1", "pAct_q10": 5.698586056848924, "aff_pf": -1.7624663909276326, "aff_hs": 0.4848613540331523, "repeats_pf": {"runs": 3, "values": [-1.8284, -1.8058, -1.6532], "mean": -1.7625, "spread": 0.1752}, "repeats_hs": {"runs": 3, "values": [0.3363, 0.6236, 0.4946], "mean": 0.4849, "spread": 0.2873}, "at": 1786924991}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923023, "scored_at": 1786924991, "alerts": [], "rank": 399}, {"candidate_id": "ODC-702AB7", "res_at": 1787995682, "skeleton": "DWVHEFCKDGYWTD", "hf_user": "Ku-ku", "display_name": "KK-M-0829-496", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········F)CC2", "total": 68.375, "axes": {"activity": 25.44, "binding": 18.95, "selectivity": 9.9, "admet": 4.54, "novelty": 6.71, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 6.126, "fraction": 0.848}, "binding": {"pIC50": 7.84, "LE": 0.398, "potency_term": 0.947, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.522, "target_engagement": 0.947}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.333, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.9}}, "run": {"gpu": "0", "pAct_q10": 6.126245449197801, "aff_pf": -1.842057228088379, "aff_hs": -0.7971004247665405, "repeats_pf": {"runs": 3, "values": [-1.8048, -1.8667, -1.8547], "mean": -1.8421, "spread": 0.0619}, "repeats_hs": {"runs": 3, "values": [-0.8905, -0.6607, -0.8402], "mean": -0.7971, "spread": 0.2298}, "at": 1787995682}, "tier": 1, "alerts": [], "total_sd": 0.653, "total_ci95": [67.246, 69.668], "relegate_reason": [], "submitted_at": 1787972478, "scored_at": 1787995682, "rank": 400}, {"candidate_id": "ODC-51A6C2", "res_at": 1786988969, "skeleton": "XDMPLNCWHSOFMD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 68.342, "axes": {"activity": 15.12, "binding": 20.0, "selectivity": 19.3, "admet": 4.1, "novelty": 5.66, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 5.507, "fraction": 0.504}, "binding": {"pIC50": 8.18, "LE": 0.32, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 85.1, "selectivity_term": 0.965, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.063, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.77, "herg": 0.49, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.507217807258551, "aff_pf": -2.177369991938273, "aff_hs": -0.24726619571447372, "repeats_pf": {"runs": 3, "values": [-2.1835, -2.2318, -2.1168], "mean": -2.1774, "spread": 0.115}, "repeats_hs": {"runs": 3, "values": [-0.4959, -0.1212, -0.1247], "mean": -0.2473, "spread": 0.3748}, "at": 1786988969}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984777, "scored_at": 1786988969, "alerts": [], "rank": 401}, {"candidate_id": "ODC-C76D0B", "res_at": 1787666452, "skeleton": "LIZLKMQUCNTOCQ", "hf_user": "Ku-ku", "display_name": "KK-M-0825-33", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC[Se]c··········)n2n1", "total": 68.299, "axes": {"activity": 14.41, "binding": 18.5, "selectivity": 15.65, "admet": 10.27, "novelty": 6.3, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.48}, "binding": {"pIC50": 7.77, "LE": 0.444, "potency_term": 0.925, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.2, "selectivity_term": 0.846, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.74, "per_endpoint": {"solubility-aqsoldb": 0.75, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.881, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.56, "herg": 0.633, "dili": 0.277}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.46468172906582, "aff_pf": -1.7743504842122395, "aff_hs": -0.08201247702042262, "repeats_pf": {"runs": 3, "values": [-1.752, -1.783, -1.788], "mean": -1.7744, "spread": 0.036}, "repeats_hs": {"runs": 3, "values": [0.1106, -0.0344, -0.3222], "mean": -0.082, "spread": 0.4328}, "at": 1787666452}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787665911, "scored_at": 1787666452, "rank": 402}, {"candidate_id": "ODC-197F4A", "res_at": 1787407376, "skeleton": "QIBQSLSLRGBIJN", "hf_user": "takutoyo", "display_name": "PfD13-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 68.266, "axes": {"activity": 12.49, "binding": 19.85, "selectivity": 15.88, "admet": 11.61, "novelty": 4.71, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 7.98, "LE": 0.497, "potency_term": 0.993, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.7, "selectivity_term": 0.8, "target_engagement": 0.993}, "admet": {"geometric_mean": 0.78, "per_endpoint": {"solubility-aqsoldb": 0.593, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.906, "cyp3a4-substrate-carbonmangels": 0.762, "ld50-zhu": 0.474, "herg": 0.808, "dili": 0.976}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.349226597640012, "aff_pf": -1.9778392712275188, "aff_hs": -0.3785161276658376, "repeats_pf": {"runs": 3, "values": [-1.9419, -2.023, -1.9686], "mean": -1.9778, "spread": 0.0811}, "repeats_hs": {"runs": 3, "values": [-0.1887, -0.5931, -0.3538], "mean": -0.3785, "spread": 0.4044}, "at": 1787407376}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787406669, "scored_at": 1787407376, "rank": 403}, {"candidate_id": "ODC-871127", "res_at": 1788563766, "skeleton": "VYLJUBUTNKPLHG", "hf_user": "1Dmeds", "display_name": "ODC26-S1D17", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 68.249, "axes": {"activity": 19.58, "binding": 19.09, "selectivity": 14.56, "admet": 4.9, "novelty": 6.82, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.775, "fraction": 0.653}, "binding": {"pIC50": 7.93, "LE": 0.294, "potency_term": 0.976, "efficiency_cap": 0.978}, "selectivity": {"fold": 31.0, "selectivity_term": 0.746, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.286}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 5.774507711452829, "aff_pf": -1.9271384080251057, "aff_hs": -0.4351290265719096, "repeats_pf": {"runs": 3, "values": [-1.8597, -1.9302, -1.9915], "mean": -1.9271, "spread": 0.1317}, "repeats_hs": {"runs": 3, "values": [-0.5928, -0.3843, -0.3283], "mean": -0.4351, "spread": 0.2644}, "at": 1788563766}, "tier": 1, "alerts": [], "total_sd": 1.183, "total_ci95": [66.023, 70.295], "relegate_reason": [], "submitted_at": 1788555474, "scored_at": 1788563766, "rank": 404}, {"candidate_id": "ODC-B3F8DF", "res_at": 1787637765, "skeleton": "MRSUFIZPNFUCKI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F13", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········)CCC1", "total": 68.218, "axes": {"activity": 25.25, "binding": 20.0, "selectivity": 9.18, "admet": 3.87, "novelty": 6.42, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.115, "fraction": 0.842}, "binding": {"pIC50": 8.02, "LE": 0.314, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.695, "herg": 0.439, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 6.114801567164605, "aff_pf": -2.0174505710601807, "aff_hs": -1.099455992380778, "repeats_pf": {"runs": 3, "values": [-2.0422, -2.0323, -1.9778], "mean": -2.0175, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [-0.9831, -1.0315, -1.2838], "mean": -1.0995, "spread": 0.3007}, "at": 1787637765}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635243, "scored_at": 1787637765, "alerts": [], "rank": 405}, {"candidate_id": "ODC-32C5CA", "res_at": 1786938197, "skeleton": "VICYMFPIPGBXNH", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 68.216, "axes": {"activity": 30.0, "binding": 13.51, "selectivity": 7.81, "admet": 5.86, "novelty": 6.79, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 6.486, "fraction": 1.0}, "binding": {"pIC50": 7.07, "LE": 0.294, "potency_term": 0.69, "efficiency_cap": 0.979}, "selectivity": {"fold": 13.5, "selectivity_term": 0.566, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.645, "herg": 0.269, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 6.486420388734143, "aff_pf": -1.071343183517456, "aff_hs": 0.06001541018486023, "repeats_pf": {"runs": 3, "values": [-1.0552, -1.0599, -1.0989], "mean": -1.0713, "spread": 0.0438}, "repeats_hs": {"runs": 3, "values": [0.3197, -0.4747, 0.335], "mean": 0.06, "spread": 0.8097}, "at": 1786938197}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926509, "scored_at": 1786938197, "alerts": [], "rank": 406}, {"candidate_id": "ODC-D1E82F", "res_at": 1786923687, "skeleton": "CIWWVJMGIYXFPW", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 68.183, "axes": {"activity": 22.04, "binding": 16.18, "selectivity": 15.95, "admet": 5.62, "novelty": 4.98, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.922, "fraction": 0.735}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.809, "efficiency_cap": 1.0}, "selectivity": {"fold": 93.7, "selectivity_term": 0.986, "target_engagement": 0.809}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.451, "herg": 0.831, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.922358993418227, "aff_pf": -1.427125056584676, "aff_hs": 0.5445607006549835, "repeats_pf": {"runs": 3, "values": [-1.5278, -1.3047, -1.4488], "mean": -1.4271, "spread": 0.2231}, "repeats_hs": {"runs": 3, "values": [0.4809, 0.5356, 0.6171], "mean": 0.5446, "spread": 0.1362}, "at": 1786923687}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922391, "scored_at": 1786923687, "alerts": [], "rank": 407}, {"candidate_id": "ODC-5AF0EC", "res_at": 1786863468, "skeleton": "RKACMGXCZGBYKS", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 68.178, "axes": {"activity": 12.63, "binding": 19.67, "selectivity": 19.67, "admet": 7.05, "novelty": 4.92, "synthesis": 4.23}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 7.95, "LE": 0.495, "potency_term": 0.984, "efficiency_cap": 1.0}, "selectivity": {"fold": 125.7, "selectivity_term": 1.0, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.706, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.555, "herg": 0.673, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.357617675426062, "aff_pf": -1.950926423072815, "aff_hs": 0.14838191866874695, "repeats_pf": {"runs": 3, "values": [-1.9376, -1.9721, -1.9432], "mean": -1.9509, "spread": 0.0345}, "repeats_hs": {"runs": 3, "values": [0.1656, 0.0986, 0.1809], "mean": 0.1484, "spread": 0.0823}, "at": 1786863468}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856283, "scored_at": 1786863468, "alerts": [], "rank": 408}, {"candidate_id": "ODC-CFEED7", "res_at": 1787882376, "skeleton": "BZRBLIIYAJNFOF", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L11", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········1CCC2", "total": 68.177, "axes": {"activity": 25.26, "binding": 16.99, "selectivity": 12.69, "admet": 4.24, "novelty": 5.62, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 6.115, "fraction": 0.842}, "binding": {"pIC50": 7.55, "LE": 0.398, "potency_term": 0.849, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.2, "selectivity_term": 0.747, "target_engagement": 0.849}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.923, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.553, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.115316693875625, "aff_pf": -1.5477875471115112, "aff_hs": -0.05312582850456238, "repeats_pf": {"runs": 3, "values": [-1.589, -1.5078, -1.5466], "mean": -1.5478, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [0.1267, 0.2495, -0.5355], "mean": -0.0531, "spread": 0.785}, "at": 1787882376}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822341, "scored_at": 1787882376, "alerts": [], "rank": 409}, {"candidate_id": "ODC-CABFA1", "res_at": 1787027140, "skeleton": "XHECAOZZFCJCHA", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 68.169, "axes": {"activity": 18.74, "binding": 18.53, "selectivity": 15.52, "admet": 6.05, "novelty": 5.38, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.724, "fraction": 0.625}, "binding": {"pIC50": 7.78, "LE": 0.463, "potency_term": 0.927, "efficiency_cap": 1.0}, "selectivity": {"fold": 47.3, "selectivity_term": 0.837, "target_engagement": 0.927}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.894, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.312, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.724435234870442, "aff_pf": -1.779773473739624, "aff_hs": -0.1048234353462855, "repeats_pf": {"runs": 3, "values": [-1.7772, -1.7923, -1.7698], "mean": -1.7798, "spread": 0.0226}, "repeats_hs": {"runs": 3, "values": [-0.0167, -0.1908, -0.1069], "mean": -0.1048, "spread": 0.1741}, "at": 1787027140}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025220, "scored_at": 1787027140, "alerts": [], "rank": 410}, {"candidate_id": "ODC-25BDD3", "res_at": 1788263832, "skeleton": "UQIKCRWBKBZOER", "hf_user": "Ku-ku", "display_name": "KK-M-0831-573", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 68.083, "axes": {"activity": 15.52, "binding": 18.08, "selectivity": 17.69, "admet": 8.4, "novelty": 6.03, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.531, "fraction": 0.517}, "binding": {"pIC50": 7.71, "LE": 0.44, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 90.5, "selectivity_term": 0.978, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.491, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.552, "cyp3a4-substrate-carbonmangels": 0.42, "ld50-zhu": 0.427, "herg": 0.814, "dili": 0.15}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "0", "pAct_q10": 5.531438056008405, "aff_pf": -1.7123756408691406, "aff_hs": 0.244327279428641, "repeats_pf": {"runs": 3, "values": [-1.7447, -1.6817, -1.7108], "mean": -1.7124, "spread": 0.063}, "repeats_hs": {"runs": 3, "values": [0.2312, 0.1126, 0.3892], "mean": 0.2443, "spread": 0.2767}, "at": 1788263832}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.662, "total_ci95": [66.39, 68.885], "relegate_reason": [], "submitted_at": 1788231421, "scored_at": 1788263832, "rank": 411}, {"candidate_id": "ODC-B18B83", "res_at": 1787636994, "skeleton": "SYUOQUGAJDXBTI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F06", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 68.023, "axes": {"activity": 30.0, "binding": 11.76, "selectivity": 10.13, "admet": 5.03, "novelty": 7.07, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.528, "fraction": 1.0}, "binding": {"pIC50": 6.95, "LE": 0.272, "potency_term": 0.649, "efficiency_cap": 0.906}, "selectivity": {"fold": 36.4, "selectivity_term": 0.781, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.115, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.528387074815998, "aff_pf": -0.9460799296696981, "aff_hs": 0.6151386102040609, "repeats_pf": {"runs": 3, "values": [-0.93, -0.9231, -0.9851], "mean": -0.9461, "spread": 0.0619}, "repeats_hs": {"runs": 3, "values": [0.6628, 0.5218, 0.6609], "mean": 0.6151, "spread": 0.141}, "at": 1787636994}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635213, "scored_at": 1787636994, "alerts": [], "rank": 412}, {"candidate_id": "ODC-0C7938", "res_at": 1787155205, "skeleton": "CSGWBERWSYFLNS", "hf_user": "takutoyo", "display_name": "PfD8-B2", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 68.011, "axes": {"activity": 13.43, "binding": 19.5, "selectivity": 16.25, "admet": 9.96, "novelty": 4.96, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 5.406, "fraction": 0.448}, "binding": {"pIC50": 7.93, "LE": 0.517, "potency_term": 0.975, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.4, "selectivity_term": 0.833, "target_engagement": 0.975}, "admet": {"geometric_mean": 0.681, "per_endpoint": {"solubility-aqsoldb": 0.716, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.736, "cyp3a4-substrate-carbonmangels": 0.962, "ld50-zhu": 0.338, "herg": 0.978, "dili": 0.123}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.406017024873084, "aff_pf": -1.9253658453623455, "aff_hs": -0.2588367660840352, "repeats_pf": {"runs": 3, "values": [-1.9236, -1.8841, -1.9683], "mean": -1.9254, "spread": 0.0842}, "repeats_hs": {"runs": 3, "values": [-0.3074, -0.2328, -0.2364], "mean": -0.2588, "spread": 0.0746}, "at": 1787155205}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787148074, "scored_at": 1787155205, "rank": 413}, {"candidate_id": "ODC-49E43A", "res_at": 1786882339, "skeleton": "KTYJCKNSASBMMI", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 68.01, "axes": {"activity": 21.89, "binding": 16.25, "selectivity": 16.25, "admet": 5.13, "novelty": 5.2, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.913, "fraction": 0.73}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.812, "efficiency_cap": 1.0}, "selectivity": {"fold": 390.8, "selectivity_term": 1.0, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.48, "ld50-zhu": 0.406, "herg": 0.806, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.913391416508038, "aff_pf": -1.4367913802464802, "aff_hs": 1.1551570892333984, "repeats_pf": {"runs": 3, "values": [-1.4215, -1.4542, -1.4347], "mean": -1.4368, "spread": 0.0327}, "repeats_hs": {"runs": 3, "values": [1.208, 1.0675, 1.19], "mean": 1.1552, "spread": 0.1405}, "at": 1786882339}, "tier": 1, "relegate_reason": [], "submitted_at": 1786873353, "scored_at": 1786882339, "alerts": [], "rank": 414}, {"candidate_id": "ODC-5A4929", "res_at": 1788843463, "skeleton": "VATGAKLQULTISJ", "hf_user": "Ku-ku", "display_name": "KK-M-0908-866", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 68.005, "axes": {"activity": 26.81, "binding": 13.74, "selectivity": 13.74, "admet": 4.77, "novelty": 6.08, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 6.209, "fraction": 0.894}, "binding": {"pIC50": 7.06, "LE": 0.345, "potency_term": 0.687, "efficiency_cap": 1.0}, "selectivity": {"fold": 142.1, "selectivity_term": 1.0, "target_engagement": 0.687}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.555, "ld50-zhu": 0.509, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "0", "pAct_q10": 6.208854051902815, "aff_pf": -1.0607705314954121, "aff_hs": 1.0918987194697063, "repeats_pf": {"runs": 3, "values": [-1.123, -1.0725, -0.9868], "mean": -1.0608, "spread": 0.1361}, "repeats_hs": {"runs": 3, "values": [1.2147, 1.0011, 1.0599], "mean": 1.0919, "spread": 0.2137}, "at": 1788843463}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [67.019, 68.835], "relegate_reason": [], "submitted_at": 1788842551, "scored_at": 1788843463, "rank": 415}, {"candidate_id": "ODC-9D26B8", "res_at": 1789480218, "skeleton": "IHKUDGSFXUOCPU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-B2-R5Acetamide-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 67.98, "axes": {"activity": 30.0, "binding": 12.85, "selectivity": 10.85, "admet": 3.22, "novelty": 7.24, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.512, "fraction": 1.0}, "binding": {"pIC50": 7.22, "LE": 0.26, "potency_term": 0.74, "efficiency_cap": 0.868}, "selectivity": {"fold": 29.2, "selectivity_term": 0.733, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.215, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.382, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.476, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.511603263906477, "aff_pf": -1.2209643522898357, "aff_hs": 0.24453488488992056, "repeats_pf": {"runs": 3, "values": [-1.2019, -1.2249, -1.2361], "mean": -1.221, "spread": 0.0343}, "repeats_hs": {"runs": 3, "values": [0.3384, 0.3021, 0.0931], "mean": 0.2445, "spread": 0.2453}, "at": 1789480218}, "tier": 1, "alerts": [], "total_sd": 0.477, "total_ci95": [67.092, 68.801], "relegate_reason": [], "submitted_at": 1789479178, "scored_at": 1789480218, "rank": 416}, {"candidate_id": "ODC-A0ECA9", "res_at": 1788083739, "skeleton": "FSZVMFTXWGUWED", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1CN(c··········n2)C1", "total": 67.912, "axes": {"activity": 30.0, "binding": 11.71, "selectivity": 9.12, "admet": 5.7, "novelty": 7.78, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 6.47, "fraction": 1.0}, "binding": {"pIC50": 7.03, "LE": 0.26, "potency_term": 0.675, "efficiency_cap": 0.867}, "selectivity": {"fold": 22.5, "selectivity_term": 0.676, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.353, "cyp2c9-veith": 0.53, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.81, "herg": 0.05, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.222, "novelty": 0.778}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 6.46968141326142, "aff_pf": -1.0252072016398113, "aff_hs": 0.326310932636261, "repeats_pf": {"runs": 3, "values": [-1.0733, -0.957, -1.0454], "mean": -1.0252, "spread": 0.1163}, "repeats_hs": {"runs": 3, "values": [0.434, 0.3144, 0.2305], "mean": 0.3263, "spread": 0.2035}, "at": 1788083739}, "tier": 1, "alerts": [], "total_sd": 0.649, "total_ci95": [66.728, 69.205], "relegate_reason": [], "submitted_at": 1788074683, "scored_at": 1788083739, "rank": 417}, {"candidate_id": "ODC-17C5BC", "res_at": 1788547664, "skeleton": "LWCXJXKHICAJQM", "hf_user": "1Dmeds", "display_name": "ODC26-S1D16", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 67.888, "axes": {"activity": 28.08, "binding": 16.27, "selectivity": 8.71, "admet": 4.46, "novelty": 6.69, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.285, "fraction": 0.936}, "binding": {"pIC50": 7.55, "LE": 0.287, "potency_term": 0.849, "efficiency_cap": 0.957}, "selectivity": {"fold": 10.6, "selectivity_term": 0.513, "target_engagement": 0.849}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.721, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.284819296419658, "aff_pf": -1.548144777615865, "aff_hs": -0.5229412863651911, "repeats_pf": {"runs": 3, "values": [-1.5533, -1.58, -1.5112], "mean": -1.5481, "spread": 0.0688}, "repeats_hs": {"runs": 3, "values": [-0.1908, -0.6998, -0.6782], "mean": -0.5229, "spread": 0.5091}, "at": 1788547664}, "tier": 1, "alerts": [], "total_sd": 1.045, "total_ci95": [66.054, 69.814], "relegate_reason": [], "submitted_at": 1788517858, "scored_at": 1788547664, "rank": 418}, {"candidate_id": "ODC-7A46CD", "res_at": 1788549957, "skeleton": "FMNKVAAERQMNFV", "hf_user": "1Dmeds", "display_name": "ODC26-S1D02", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 67.888, "axes": {"activity": 18.99, "binding": 18.31, "selectivity": 15.98, "admet": 4.77, "novelty": 6.22, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.74, "fraction": 0.633}, "binding": {"pIC50": 7.84, "LE": 0.29, "potency_term": 0.946, "efficiency_cap": 0.968}, "selectivity": {"fold": 48.9, "selectivity_term": 0.845, "target_engagement": 0.946}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.348, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.7395196794917105, "aff_pf": -1.8390777905782063, "aff_hs": -0.15006283422311148, "repeats_pf": {"runs": 3, "values": [-1.9014, -1.8313, -1.7846], "mean": -1.8391, "spread": 0.1168}, "repeats_hs": {"runs": 3, "values": [-0.2318, 0.0855, -0.3039], "mean": -0.1501, "spread": 0.3894}, "at": 1788549957}, "tier": 1, "alerts": [], "total_sd": 1.231, "total_ci95": [65.707, 70.612], "relegate_reason": [], "submitted_at": 1788522762, "scored_at": 1788549957, "rank": 419}, {"candidate_id": "ODC-FF5A89", "res_at": 1786989518, "skeleton": "DMYOQOHODJOMLN", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········)CCC1", "total": 67.875, "axes": {"activity": 15.36, "binding": 19.88, "selectivity": 18.89, "admet": 4.01, "novelty": 5.62, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 8.05, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.994}, "selectivity": {"fold": 77.5, "selectivity_term": 0.945, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.76, "herg": 0.512, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.521400000204781, "aff_pf": -2.052969217300415, "aff_hs": -0.16372273986538252, "repeats_pf": {"runs": 3, "values": [-2.0376, -2.0518, -2.0696], "mean": -2.053, "spread": 0.032}, "repeats_hs": {"runs": 3, "values": [-0.0938, -0.4039, 0.0065], "mean": -0.1637, "spread": 0.4104}, "at": 1786989518}, "tier": 1, "relegate_reason": [], "submitted_at": 1786986231, "scored_at": 1786989518, "alerts": [], "rank": 420}, {"candidate_id": "ODC-899B03", "res_at": 1787871726, "skeleton": "FIUBKVQRFAKDJO", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N4", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 67.866, "axes": {"activity": 27.01, "binding": 17.91, "selectivity": 8.65, "admet": 4.55, "novelty": 6.22, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 6.221, "fraction": 0.9}, "binding": {"pIC50": 7.69, "LE": 0.405, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.618, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.220602586020083, "aff_pf": -1.6857848564783733, "aff_hs": -0.7198632756868998, "repeats_pf": {"runs": 3, "values": [-1.6409, -1.8673, -1.5491], "mean": -1.6858, "spread": 0.3182}, "repeats_hs": {"runs": 3, "values": [-0.4013, -0.6721, -1.0861], "mean": -0.7199, "spread": 0.6848}, "at": 1787837803}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784244, "scored_at": 1787837803, "alerts": [], "rank": 421}, {"candidate_id": "ODC-236FF5", "res_at": 1786873022, "skeleton": "OFGCINNCHABJAS", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 67.863, "axes": {"activity": 30.0, "binding": 16.12, "selectivity": 5.83, "admet": 4.88, "novelty": 6.71, "synthesis": 4.32}, "detail": {"activity": {"pAct_q10": 6.462, "fraction": 1.0}, "binding": {"pIC50": 7.42, "LE": 0.308, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.761, "herg": 0.5, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 6.462476510653478, "aff_pf": -1.4183938105901082, "aff_hs": -0.6950292984644572, "repeats_pf": {"runs": 3, "values": [-1.4455, -1.4094, -1.4002], "mean": -1.4184, "spread": 0.0453}, "repeats_hs": {"runs": 3, "values": [-0.8328, -0.6043, -0.648], "mean": -0.695, "spread": 0.2285}, "at": 1786873022}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866272, "scored_at": 1786873022, "alerts": [], "rank": 422}, {"candidate_id": "ODC-D1911D", "res_at": 1788358776, "skeleton": "CCYGVCMNKXDXSJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCC1C", "total": 67.854, "axes": {"activity": 24.13, "binding": 16.54, "selectivity": 14.96, "admet": 4.01, "novelty": 5.93, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 6.048, "fraction": 0.804}, "binding": {"pIC50": 7.63, "LE": 0.283, "potency_term": 0.878, "efficiency_cap": 0.942}, "selectivity": {"fold": 50.7, "selectivity_term": 0.853, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.663, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.651, "herg": 0.451, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "0", "pAct_q10": 6.047848873662873, "aff_pf": -1.632949709892273, "aff_hs": 0.07216314474741618, "repeats_pf": {"runs": 3, "values": [-1.7274, -1.5847, -1.5868], "mean": -1.6329, "spread": 0.1428}, "repeats_hs": {"runs": 3, "values": [0.0673, -0.0412, 0.1904], "mean": 0.0722, "spread": 0.2316}, "at": 1788358776}, "tier": 1, "alerts": [], "total_sd": 1.264, "total_ci95": [65.813, 70.65], "relegate_reason": [], "submitted_at": 1788358186, "scored_at": 1788358776, "rank": 423}, {"candidate_id": "ODC-B84107", "res_at": 1786902072, "skeleton": "DLTFWJGEXJINGX", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 67.819, "axes": {"activity": 19.16, "binding": 18.11, "selectivity": 18.11, "admet": 3.46, "novelty": 5.1, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.75, "fraction": 0.639}, "binding": {"pIC50": 7.72, "LE": 0.33, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 238.5, "selectivity_term": 1.0, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.255, "per_endpoint": {"solubility-aqsoldb": 0.12, "caco2-wang": 0.466, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.761, "herg": 0.05, "dili": 0.109}}, "novelty": {"max_tanimoto": 0.437, "novelty": 0.563}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.749897991547566, "aff_pf": -1.7165070374806721, "aff_hs": 0.6610079805056254, "repeats_pf": {"runs": 3, "values": [-1.6426, -1.7703, -1.7366], "mean": -1.7165, "spread": 0.1277}, "repeats_hs": {"runs": 3, "values": [0.6249, 0.6491, 0.7091], "mean": 0.661, "spread": 0.0841}, "at": 1786902072}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888748, "scored_at": 1786902072, "alerts": [], "rank": 424}, {"candidate_id": "ODC-7B466A", "res_at": 1786873393, "skeleton": "UIKAOIAFPBWKRL", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 67.817, "axes": {"activity": 18.81, "binding": 18.2, "selectivity": 16.12, "admet": 6.19, "novelty": 4.55, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.728, "fraction": 0.627}, "binding": {"pIC50": 7.73, "LE": 0.46, "potency_term": 0.91, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.0, "selectivity_term": 0.885, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.204, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.413, "herg": 0.55, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.728402734209321, "aff_pf": -1.7305641969045003, "aff_hs": 0.04029203951358795, "repeats_pf": {"runs": 3, "values": [-1.7268, -1.7314, -1.7335], "mean": -1.7306, "spread": 0.0067}, "repeats_hs": {"runs": 3, "values": [-0.04, 0.171, -0.0101], "mean": 0.0403, "spread": 0.211}, "at": 1786873393}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866290, "scored_at": 1786873393, "alerts": [], "rank": 425}, {"candidate_id": "ODC-F74CE9", "res_at": 1787966122, "skeleton": "VDIWKVHHECJPDX", "hf_user": "Ku-ku", "display_name": "KK-M-0829-327", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 67.75, "axes": {"activity": 27.89, "binding": 15.95, "selectivity": 9.0, "admet": 4.77, "novelty": 6.48, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.274, "fraction": 0.93}, "binding": {"pIC50": 7.39, "LE": 0.362, "potency_term": 0.798, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.798}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.619, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.531, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.273620021791534, "aff_pf": -1.3926790952682495, "aff_hs": -0.26398858428001404, "repeats_pf": {"runs": 3, "values": [-1.415, -1.3105, -1.4526], "mean": -1.3927, "spread": 0.1421}, "repeats_hs": {"runs": 3, "values": [-0.2011, -0.3437, -0.2472], "mean": -0.264, "spread": 0.1426}, "at": 1787966122}, "tier": 1, "relegate_reason": [], "submitted_at": 1787964463, "scored_at": 1787966122, "alerts": [], "rank": 426}, {"candidate_id": "ODC-263347", "res_at": 1788552556, "skeleton": "BHVCWAJTQQYVQE", "hf_user": "1Dmeds", "display_name": "ODC26-S1D05", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CN(C)··········nc2n1", "total": 67.719, "axes": {"activity": 28.58, "binding": 14.78, "selectivity": 10.06, "admet": 3.89, "novelty": 6.96, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.315, "fraction": 0.953}, "binding": {"pIC50": 7.47, "LE": 0.269, "potency_term": 0.823, "efficiency_cap": 0.898}, "selectivity": {"fold": 16.7, "selectivity_term": 0.611, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.581, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.642, "herg": 0.317, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "0", "pAct_q10": 6.314869567944045, "aff_pf": -1.4697635968526204, "aff_hs": -0.24725733200709024, "repeats_pf": {"runs": 3, "values": [-1.5319, -1.4172, -1.4602], "mean": -1.4698, "spread": 0.1147}, "repeats_hs": {"runs": 3, "values": [-0.1559, -0.409, -0.1769], "mean": -0.2473, "spread": 0.2531}, "at": 1788552556}, "tier": 1, "alerts": [], "total_sd": 0.814, "total_ci95": [66.106, 69.707], "relegate_reason": [], "submitted_at": 1788517760, "scored_at": 1788552556, "rank": 427}, {"candidate_id": "ODC-D8E767", "res_at": 1786873207, "skeleton": "PLANMUREXJEUJG", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 67.716, "axes": {"activity": 19.49, "binding": 18.77, "selectivity": 14.66, "admet": 6.15, "novelty": 4.44, "synthesis": 4.21}, "detail": {"activity": {"pAct_q10": 5.769, "fraction": 0.65}, "binding": {"pIC50": 7.82, "LE": 0.466, "potency_term": 0.939, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.4, "selectivity_term": 0.781, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.458, "ld50-zhu": 0.332, "herg": 0.795, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "2", "pAct_q10": 5.76914110144425, "aff_pf": -1.8159537315368652, "aff_hs": -0.25446145484844845, "repeats_pf": {"runs": 3, "values": [-1.8024, -1.837, -1.8085], "mean": -1.816, "spread": 0.0346}, "repeats_hs": {"runs": 3, "values": [-0.2858, -0.1162, -0.3614], "mean": -0.2545, "spread": 0.2453}, "at": 1786873207}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866289, "scored_at": 1786873207, "alerts": [], "rank": 428}, {"candidate_id": "ODC-6582EF", "res_at": 1789385918, "skeleton": "YSVAQYMIMKONBA", "hf_user": "Ku-ku", "display_name": "KK-M-0914-034", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 67.679, "axes": {"activity": 14.71, "binding": 18.15, "selectivity": 16.01, "admet": 9.85, "novelty": 5.91, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 7.72, "LE": 0.46, "potency_term": 0.908, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.1, "selectivity_term": 0.882, "target_engagement": 0.908}, "admet": {"geometric_mean": 0.723, "per_endpoint": {"solubility-aqsoldb": 0.755, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.83, "cyp3a4-substrate-carbonmangels": 0.773, "ld50-zhu": 0.498, "herg": 0.256, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "0", "pAct_q10": 5.482373913451332, "aff_pf": -1.7225358883539836, "aff_hs": 0.04127666292091211, "repeats_pf": {"runs": 3, "values": [-1.6961, -1.7242, -1.7473], "mean": -1.7225, "spread": 0.0511}, "repeats_hs": {"runs": 3, "values": [0.0668, 0.014, 0.0431], "mean": 0.0413, "spread": 0.0527}, "at": 1789385918}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.398, "total_ci95": [67.014, 68.399], "relegate_reason": [], "submitted_at": 1789381694, "scored_at": 1789385918, "rank": 429}, {"candidate_id": "ODC-DE4264", "res_at": 1786964686, "skeleton": "OKMKHSDMNFMMND", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 67.678, "axes": {"activity": 19.5, "binding": 18.63, "selectivity": 14.43, "admet": 6.21, "novelty": 4.66, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 5.77, "fraction": 0.65}, "binding": {"pIC50": 7.79, "LE": 0.485, "potency_term": 0.931, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.4, "selectivity_term": 0.775, "target_engagement": 0.931}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.339, "herg": 0.071, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.770131729349997, "aff_pf": -1.793898582458496, "aff_hs": -0.2444400191307068, "repeats_pf": {"runs": 3, "values": [-1.7701, -1.8142, -1.7974], "mean": -1.7939, "spread": 0.0441}, "repeats_hs": {"runs": 3, "values": [-0.2594, -0.1827, -0.2912], "mean": -0.2444, "spread": 0.1085}, "at": 1786964686}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964360, "scored_at": 1786964686, "alerts": [], "rank": 430}, {"candidate_id": "ODC-1C319D", "res_at": 1787013763, "skeleton": "HJCTYNWIHLBEJL", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 67.629, "axes": {"activity": 27.31, "binding": 18.93, "selectivity": 5.49, "admet": 5.22, "novelty": 6.85, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.239, "fraction": 0.91}, "binding": {"pIC50": 7.85, "LE": 0.299, "potency_term": 0.95, "efficiency_cap": 0.996}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.95}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.696, "herg": 0.253, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 6.238803974203081, "aff_pf": -1.8509406248728435, "aff_hs": -1.273407260576884, "repeats_pf": {"runs": 3, "values": [-1.8331, -1.9423, -1.7775], "mean": -1.8509, "spread": 0.1648}, "repeats_hs": {"runs": 3, "values": [-1.2704, -1.3095, -1.2403], "mean": -1.2734, "spread": 0.0693}, "at": 1787013763}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013513, "scored_at": 1787013763, "alerts": [], "rank": 431}, {"candidate_id": "ODC-F05284", "res_at": 1789884987, "skeleton": "QYHBGWVHTVGKIQ", "hf_user": "Ku-ku", "display_name": "KK-M-0917-180", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)[S··········)n2n1", "total": 67.612, "axes": {"activity": 14.92, "binding": 19.71, "selectivity": 11.75, "admet": 11.07, "novelty": 6.86, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.495, "fraction": 0.497}, "binding": {"pIC50": 7.96, "LE": 0.436, "potency_term": 0.985, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.596, "target_engagement": 0.985}, "admet": {"geometric_mean": 0.749, "per_endpoint": {"solubility-aqsoldb": 0.599, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.843, "cyp3a4-substrate-carbonmangels": 0.893, "ld50-zhu": 0.564, "herg": 0.418, "dili": 0.961}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 5.4949872612913, "aff_pf": -1.9564262628555298, "aff_hs": -0.7642060120900472, "repeats_pf": {"runs": 3, "values": [-1.893, -2.075, -1.9014], "mean": -1.9564, "spread": 0.182}, "repeats_hs": {"runs": 3, "values": [-1.1125, -0.6032, -0.5769], "mean": -0.7642, "spread": 0.5355}, "at": 1789884987}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.712, "total_ci95": [64.233, 70.753], "relegate_reason": [], "submitted_at": 1789652089, "scored_at": 1789884987, "rank": 432}, {"candidate_id": "ODC-1670A1", "res_at": 1786951506, "skeleton": "YYNYDURHSILTNM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 67.59, "axes": {"activity": 26.43, "binding": 17.34, "selectivity": 10.72, "admet": 3.24, "novelty": 6.38, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.186, "fraction": 0.881}, "binding": {"pIC50": 7.67, "LE": 0.292, "potency_term": 0.891, "efficiency_cap": 0.973}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.515, "hia-hou": 1.0, "bioavailability-ma": 0.952, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.177, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.18590823740521, "aff_pf": -1.672512372334798, "aff_hs": -0.46928006410598755, "repeats_pf": {"runs": 3, "values": [-1.6578, -1.6827, -1.677], "mean": -1.6725, "spread": 0.0249}, "repeats_hs": {"runs": 3, "values": [-0.3143, -0.5246, -0.5689], "mean": -0.4693, "spread": 0.2546}, "at": 1786951506}, "tier": 1, "relegate_reason": [], "submitted_at": 1786941949, "scored_at": 1786951506, "alerts": [], "rank": 433}, {"candidate_id": "ODC-849112", "res_at": 1787481114, "skeleton": "QTDQKGAIZACNPD", "hf_user": "Ku-ku", "display_name": "KK-M-0823-43", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 67.52, "axes": {"activity": 24.3, "binding": 18.97, "selectivity": 8.54, "admet": 5.57, "novelty": 6.28, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.058, "fraction": 0.81}, "binding": {"pIC50": 7.85, "LE": 0.43, "potency_term": 0.949, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.45, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.952, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.647, "ld50-zhu": 0.426, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.057722090859801, "aff_pf": -1.8457883993784587, "aff_hs": -0.9450730482737223, "repeats_pf": {"runs": 3, "values": [-1.9261, -1.806, -1.8053], "mean": -1.8458, "spread": 0.1207}, "repeats_hs": {"runs": 3, "values": [-1.0313, -0.881, -0.9229], "mean": -0.9451, "spread": 0.1503}, "at": 1787481114}, "tier": 1, "relegate_reason": [], "submitted_at": 1787480535, "scored_at": 1787481114, "alerts": [], "rank": 434}, {"candidate_id": "ODC-D8AAF6", "res_at": 1787188691, "skeleton": "BCWFRSJPJDGHOH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Cl", "total": 67.51, "axes": {"activity": 21.85, "binding": 18.87, "selectivity": 11.66, "admet": 6.77, "novelty": 4.19, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 5.911, "fraction": 0.728}, "binding": {"pIC50": 7.83, "LE": 0.466, "potency_term": 0.944, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.2, "selectivity_term": 0.618, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.322, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.301, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.910717240584006, "aff_pf": -1.8309452931086223, "aff_hs": -0.595037579536438, "repeats_pf": {"runs": 3, "values": [-1.8485, -1.7939, -1.8505], "mean": -1.8309, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [-0.5978, -0.5938, -0.5935], "mean": -0.595, "spread": 0.0043}, "at": 1787188691}, "tier": 1, "relegate_reason": [], "submitted_at": 1787186074, "scored_at": 1787188691, "alerts": [], "rank": 435}, {"candidate_id": "ODC-A7E87A", "res_at": 1788595433, "skeleton": "FKAOXZNKQCYETE", "hf_user": "Bio-JS", "display_name": "0905-S1-27 SMe/CN/CHF2/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 67.503, "axes": {"activity": 14.74, "binding": 18.69, "selectivity": 18.69, "admet": 6.76, "novelty": 4.67, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.491}, "binding": {"pIC50": 7.8, "LE": 0.445, "potency_term": 0.935, "efficiency_cap": 1.0}, "selectivity": {"fold": 105.1, "selectivity_term": 1.0, "target_engagement": 0.935}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.522, "herg": 0.542, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.484535875695648, "aff_pf": -1.804126501083374, "aff_hs": 0.21726987759272257, "repeats_pf": {"runs": 3, "values": [-1.8077, -1.8048, -1.7998], "mean": -1.8041, "spread": 0.0079}, "repeats_hs": {"runs": 3, "values": [0.1695, 0.2988, 0.1835], "mean": 0.2173, "spread": 0.1293}, "at": 1788595433}, "tier": 1, "alerts": [], "total_sd": 0.088, "total_ci95": [67.256, 67.57], "relegate_reason": [], "submitted_at": 1788560472, "scored_at": 1788595433, "rank": 436}, {"candidate_id": "ODC-0A5729", "res_at": 1788295381, "skeleton": "ZUEWEGTXQFBRTK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV51", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 67.462, "axes": {"activity": 30.0, "binding": 13.07, "selectivity": 9.5, "admet": 5.11, "novelty": 7.18, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 6.5, "fraction": 1.0}, "binding": {"pIC50": 7.07, "LE": 0.285, "potency_term": 0.689, "efficiency_cap": 0.949}, "selectivity": {"fold": 24.0, "selectivity_term": 0.69, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.069, "cyp2c9-veith": 0.586, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.92, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 4.18}}, "run": {"gpu": "0", "pAct_q10": 6.4997910145249405, "aff_pf": -1.0659075578053792, "aff_hs": 0.31387487053871155, "repeats_pf": {"runs": 3, "values": [-1.189, -0.9961, -1.0126], "mean": -1.0659, "spread": 0.1929}, "repeats_hs": {"runs": 3, "values": [0.2987, 0.464, 0.179], "mean": 0.3139, "spread": 0.285}, "at": 1788295381}, "tier": 1, "alerts": [], "total_sd": 1.166, "total_ci95": [65.582, 69.81], "relegate_reason": [], "submitted_at": 1788269748, "scored_at": 1788295381, "rank": 437}, {"candidate_id": "ODC-ED9855", "res_at": 1787481493, "skeleton": "WGHRMPAZYFABCE", "hf_user": "Ku-ku", "display_name": "KK-M-0823-45", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········1CCC2", "total": 67.457, "axes": {"activity": 25.06, "binding": 17.84, "selectivity": 10.12, "admet": 4.95, "novelty": 5.86, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.104, "fraction": 0.835}, "binding": {"pIC50": 7.68, "LE": 0.421, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.6, "selectivity_term": 0.567, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.515, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.838, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.513, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.103538435002093, "aff_pf": -1.6760248343149822, "aff_hs": -0.5416049758593241, "repeats_pf": {"runs": 3, "values": [-1.6948, -1.6223, -1.711], "mean": -1.676, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [-0.6742, -0.2491, -0.7015], "mean": -0.5416, "spread": 0.4525}, "at": 1787481493}, "tier": 1, "relegate_reason": [], "submitted_at": 1787480544, "scored_at": 1787481493, "alerts": [], "rank": 438}, {"candidate_id": "ODC-4327D4", "res_at": 1787061626, "skeleton": "YKGUIDYMAURRBM", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 67.426, "axes": {"activity": 19.56, "binding": 18.88, "selectivity": 15.28, "admet": 3.8, "novelty": 5.93, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.774, "fraction": 0.652}, "binding": {"pIC50": 7.83, "LE": 0.307, "potency_term": 0.944, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.6, "selectivity_term": 0.809, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.768, "herg": 0.05, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.773690592760142, "aff_pf": -1.8324551184972127, "aff_hs": -0.21368926266829172, "repeats_pf": {"runs": 3, "values": [-1.7781, -1.8259, -1.8934], "mean": -1.8325, "spread": 0.1154}, "repeats_hs": {"runs": 3, "values": [-0.2835, -0.0599, -0.2977], "mean": -0.2137, "spread": 0.2378}, "at": 1787061626}, "tier": 1, "relegate_reason": [], "submitted_at": 1787060874, "scored_at": 1787061626, "alerts": [], "rank": 439}, {"candidate_id": "ODC-C010EF", "res_at": 1787657010, "skeleton": "YFXSADXUSOEHBS", "hf_user": "Ku-ku", "display_name": "KK-M-0825-01", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNc1cc(··········nc2n1", "total": 67.391, "axes": {"activity": 25.59, "binding": 14.06, "selectivity": 13.14, "admet": 5.48, "novelty": 5.56, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 6.136, "fraction": 0.853}, "binding": {"pIC50": 7.11, "LE": 0.375, "potency_term": 0.703, "efficiency_cap": 1.0}, "selectivity": {"fold": 73.9, "selectivity_term": 0.934, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.513, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.413, "cyp3a4-substrate-carbonmangels": 0.658, "ld50-zhu": 0.44, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.135677860657518, "aff_pf": -1.1094335317611694, "aff_hs": 0.7591719627380371, "repeats_pf": {"runs": 3, "values": [-1.0969, -1.1115, -1.1199], "mean": -1.1094, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [0.6924, 0.8916, 0.6935], "mean": 0.7592, "spread": 0.1992}, "at": 1787657010}, "tier": 1, "relegate_reason": [], "submitted_at": 1787656811, "scored_at": 1787657010, "alerts": [], "rank": 440}, {"candidate_id": "ODC-DE601E", "res_at": 1788971745, "skeleton": "NDSREVIKODLSGA", "hf_user": "Ku-ku", "display_name": "KK-M-0910-839", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 67.382, "axes": {"activity": 30.0, "binding": 11.87, "selectivity": 10.56, "admet": 4.4, "novelty": 6.84, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.575, "fraction": 1.0}, "binding": {"pIC50": 6.78, "LE": 0.3, "potency_term": 0.594, "efficiency_cap": 0.999}, "selectivity": {"fold": 60.0, "selectivity_term": 0.889, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.461, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.424, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 6.575250942267333, "aff_pf": -0.782257596651713, "aff_hs": 0.9960914055506388, "repeats_pf": {"runs": 3, "values": [-0.7679, -0.7428, -0.836], "mean": -0.7823, "spread": 0.0932}, "repeats_hs": {"runs": 3, "values": [1.0698, 0.9923, 0.9261], "mean": 0.9961, "spread": 0.1437}, "at": 1788971745}, "tier": 1, "alerts": [], "total_sd": 0.497, "total_ci95": [66.348, 68.534], "relegate_reason": [], "submitted_at": 1788967922, "scored_at": 1788971745, "rank": 441}, {"candidate_id": "ODC-F383C8", "res_at": 1786901043, "skeleton": "PZJOMXPULKPZNU", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 67.368, "axes": {"activity": 14.58, "binding": 18.9, "selectivity": 17.63, "admet": 7.4, "novelty": 4.64, "synthesis": 4.22}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 7.83, "LE": 0.488, "potency_term": 0.945, "efficiency_cap": 1.0}, "selectivity": {"fold": 73.4, "selectivity_term": 0.933, "target_engagement": 0.945}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.481, "ld50-zhu": 0.496, "herg": 0.557, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.474570938302054, "aff_pf": -1.8346826235453289, "aff_hs": 0.031304960449536644, "repeats_pf": {"runs": 3, "values": [-1.8193, -1.8441, -1.8406], "mean": -1.8347, "spread": 0.0248}, "repeats_hs": {"runs": 3, "values": [0.0583, -0.0548, 0.0904], "mean": 0.0313, "spread": 0.1451}, "at": 1786901043}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899150, "scored_at": 1786901043, "alerts": [], "rank": 442}, {"candidate_id": "ODC-9248B3", "res_at": 1789098846, "skeleton": "LKJLXWAKQRZCRD", "hf_user": "Ku-ku", "display_name": "KK-M-0911-618", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 67.347, "axes": {"activity": 28.46, "binding": 12.72, "selectivity": 10.56, "admet": 5.12, "novelty": 6.5, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.308, "fraction": 0.949}, "binding": {"pIC50": 6.91, "LE": 0.338, "potency_term": 0.636, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.6, "selectivity_term": 0.83, "target_engagement": 0.636}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.253, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.086, "ld50-zhu": 0.56, "herg": 0.05, "dili": 0.125}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 6.307873354547924, "aff_pf": -0.9086980819702148, "aff_hs": 0.7503515481948853, "repeats_pf": {"runs": 3, "values": [-0.9357, -0.8931, -0.8973], "mean": -0.9087, "spread": 0.0426}, "repeats_hs": {"runs": 3, "values": [0.7151, 0.7758, 0.7602], "mean": 0.7504, "spread": 0.0607}, "at": 1789098846}, "tier": 1, "alerts": [], "total_sd": 0.224, "total_ci95": [66.957, 67.775], "relegate_reason": [], "submitted_at": 1789089388, "scored_at": 1789098846, "rank": 443}, {"candidate_id": "ODC-45BF9B", "res_at": 1789480015, "skeleton": "BUXMHBSATFBMMB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-B1-R5Formamide-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 67.313, "axes": {"activity": 30.0, "binding": 13.94, "selectivity": 8.9, "admet": 3.67, "novelty": 7.33, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 6.409, "fraction": 1.0}, "binding": {"pIC50": 7.36, "LE": 0.265, "potency_term": 0.788, "efficiency_cap": 0.885}, "selectivity": {"fold": 13.5, "selectivity_term": 0.565, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.486, "herg": 0.155, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 6.40884754073221, "aff_pf": -1.3627832730611165, "aff_hs": -0.2331031709909439, "repeats_pf": {"runs": 3, "values": [-1.2181, -1.4408, -1.4295], "mean": -1.3628, "spread": 0.2227}, "repeats_hs": {"runs": 3, "values": [-0.3254, -0.2447, -0.1292], "mean": -0.2331, "spread": 0.1963}, "at": 1789480015}, "tier": 1, "alerts": [], "total_sd": 1.202, "total_ci95": [65.072, 69.31], "relegate_reason": [], "submitted_at": 1789479174, "scored_at": 1789480015, "rank": 444}, {"candidate_id": "ODC-CD04A8", "res_at": 1786883603, "skeleton": "AKEUVFJDGRATHW", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 67.304, "axes": {"activity": 18.42, "binding": 17.9, "selectivity": 15.09, "admet": 6.69, "novelty": 5.45, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.705, "fraction": 0.614}, "binding": {"pIC50": 7.69, "LE": 0.439, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.5, "selectivity_term": 0.843, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.783, "ld50-zhu": 0.476, "herg": 0.748, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.705097968632028, "aff_pf": -1.6852803230285645, "aff_hs": 0.00010606646537780762, "repeats_pf": {"runs": 3, "values": [-1.7271, -1.7338, -1.5949], "mean": -1.6853, "spread": 0.1389}, "repeats_hs": {"runs": 3, "values": [0.2202, -0.3714, 0.1515], "mean": 0.0001, "spread": 0.5916}, "at": 1786883603}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874608, "scored_at": 1786883603, "alerts": [], "rank": 445}, {"candidate_id": "ODC-5547A8", "res_at": 1788264260, "skeleton": "KIOIQSIMBFYQIG", "hf_user": "Ku-ku", "display_name": "KK-M-0831-198", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 67.304, "axes": {"activity": 11.29, "binding": 19.11, "selectivity": 17.05, "admet": 10.22, "novelty": 6.33, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.376}, "binding": {"pIC50": 7.87, "LE": 0.449, "potency_term": 0.956, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.9, "selectivity_term": 0.892, "target_engagement": 0.956}, "admet": {"geometric_mean": 0.713, "per_endpoint": {"solubility-aqsoldb": 0.752, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.708, "cyp3a4-substrate-carbonmangels": 0.659, "ld50-zhu": 0.385, "herg": 0.768, "dili": 0.383}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.277663378138782, "aff_pf": -1.8665697574615479, "aff_hs": -0.08195349822441737, "repeats_pf": {"runs": 3, "values": [-1.8878, -1.864, -1.8479], "mean": -1.8666, "spread": 0.0399}, "repeats_hs": {"runs": 3, "values": [-0.1615, -0.0733, -0.011], "mean": -0.082, "spread": 0.1505}, "at": 1788264260}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.443, "total_ci95": [66.47, 68.173], "relegate_reason": [], "submitted_at": 1788231427, "scored_at": 1788264260, "rank": 446}, {"candidate_id": "ODC-91D0CE", "res_at": 1786925342, "skeleton": "XHIPRYSMTIZLMT", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 67.255, "axes": {"activity": 23.8, "binding": 16.46, "selectivity": 12.34, "admet": 6.0, "novelty": 5.36, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 6.028, "fraction": 0.793}, "binding": {"pIC50": 7.47, "LE": 0.394, "potency_term": 0.823, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.6, "selectivity_term": 0.75, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.478, "cyp3a4-substrate-carbonmangels": 0.57, "ld50-zhu": 0.431, "herg": 0.457, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.028054852947292, "aff_pf": -1.4690983295440674, "aff_hs": 0.030334298809369404, "repeats_pf": {"runs": 3, "values": [-1.4392, -1.4652, -1.5029], "mean": -1.4691, "spread": 0.0636}, "repeats_hs": {"runs": 3, "values": [0.0927, -0.0433, 0.0416], "mean": 0.0303, "spread": 0.1359}, "at": 1786925342}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922460, "scored_at": 1786925342, "alerts": [], "rank": 447}, {"candidate_id": "ODC-0C7FBE", "res_at": 1788559595, "skeleton": "LQNKRQHGJZRBKQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D18", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 67.255, "axes": {"activity": 27.33, "binding": 17.04, "selectivity": 8.76, "admet": 4.0, "novelty": 6.54, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.24, "fraction": 0.911}, "binding": {"pIC50": 7.69, "LE": 0.285, "potency_term": 0.897, "efficiency_cap": 0.949}, "selectivity": {"fold": 9.5, "selectivity_term": 0.488, "target_engagement": 0.897}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.079, "caco2-wang": 0.505, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.661, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.239814216454477, "aff_pf": -1.6919865210851033, "aff_hs": -0.7161485552787781, "repeats_pf": {"runs": 3, "values": [-1.5159, -1.7935, -1.7665], "mean": -1.692, "spread": 0.2776}, "repeats_hs": {"runs": 3, "values": [-0.8359, -0.9666, -0.3459], "mean": -0.7161, "spread": 0.6206}, "at": 1788559595}, "tier": 1, "alerts": [], "total_sd": 2.035, "total_ci95": [63.575, 72.444], "relegate_reason": [], "submitted_at": 1788517877, "scored_at": 1788559595, "rank": 448}, {"candidate_id": "ODC-9CAB45", "res_at": 1787996741, "skeleton": "TXYKIYJOVMCRHD", "hf_user": "Ku-ku", "display_name": "KK-M-0829-512", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········CCC2F", "total": 67.234, "axes": {"activity": 23.73, "binding": 16.14, "selectivity": 15.44, "admet": 3.6, "novelty": 5.78, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 6.024, "fraction": 0.791}, "binding": {"pIC50": 7.42, "LE": 0.377, "potency_term": 0.807, "efficiency_cap": 1.0}, "selectivity": {"fold": 81.7, "selectivity_term": 0.956, "target_engagement": 0.807}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 6.0238923137881, "aff_pf": -1.4215389490127563, "aff_hs": 0.4909440577030182, "repeats_pf": {"runs": 3, "values": [-1.434, -1.3921, -1.4386], "mean": -1.4215, "spread": 0.0465}, "repeats_hs": {"runs": 3, "values": [0.5326, 0.4717, 0.4686], "mean": 0.4909, "spread": 0.064}, "at": 1787996741}, "tier": 1, "alerts": [], "total_sd": 0.351, "total_ci95": [66.479, 67.813], "relegate_reason": [], "submitted_at": 1787972498, "scored_at": 1787996741, "rank": 449}, {"candidate_id": "ODC-B826F0", "res_at": 1789212566, "skeleton": "HZVUYLCSSZFKBV", "hf_user": "Ku-ku", "display_name": "KK-M-0912-798", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 67.23, "axes": {"activity": 14.6, "binding": 18.01, "selectivity": 16.63, "admet": 9.77, "novelty": 5.65, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.476, "fraction": 0.487}, "binding": {"pIC50": 7.7, "LE": 0.459, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.3, "selectivity_term": 0.923, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.723, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.587, "cyp3a4-substrate-carbonmangels": 0.618, "ld50-zhu": 0.486, "herg": 1.0, "dili": 0.596}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.475791493442525, "aff_pf": -1.7015417416890461, "aff_hs": 0.14537272850672403, "repeats_pf": {"runs": 3, "values": [-1.6969, -1.6893, -1.7184], "mean": -1.7015, "spread": 0.0291}, "repeats_hs": {"runs": 3, "values": [0.2296, 0.1926, 0.0139], "mean": 0.1454, "spread": 0.2157}, "at": 1789212566}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.496, "total_ci95": [66.38, 68.194], "relegate_reason": [], "submitted_at": 1789179625, "scored_at": 1789212566, "rank": 450}, {"candidate_id": "ODC-BA042A", "res_at": 1786877111, "skeleton": "ARRYFFKULXNWLL", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 67.223, "axes": {"activity": 16.87, "binding": 18.77, "selectivity": 15.62, "admet": 6.17, "novelty": 5.96, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.612, "fraction": 0.562}, "binding": {"pIC50": 7.81, "LE": 0.446, "potency_term": 0.938, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.2, "selectivity_term": 0.832, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.918, "ld50-zhu": 0.474, "herg": 0.753, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 5.612168179311433, "aff_pf": -1.8148870468139648, "aff_hs": -0.15019833234449229, "repeats_pf": {"runs": 3, "values": [-1.757, -1.7982, -1.8894], "mean": -1.8149, "spread": 0.1323}, "repeats_hs": {"runs": 3, "values": [-0.4451, -0.0365, 0.0311], "mean": -0.1502, "spread": 0.4762}, "at": 1786877111}, "tier": 1, "relegate_reason": [], "submitted_at": 1786870592, "scored_at": 1786877111, "alerts": [], "rank": 451}, {"candidate_id": "ODC-EF874C", "res_at": 1788587247, "skeleton": "FQAACWQNOJSVTE", "hf_user": "Bio-JS", "display_name": "0905-S1-08 SCHF2/H/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 67.221, "axes": {"activity": 21.85, "binding": 17.91, "selectivity": 10.66, "admet": 7.0, "novelty": 5.69, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.911, "fraction": 0.728}, "binding": {"pIC50": 7.69, "LE": 0.479, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.383, "cyp3a4-substrate-carbonmangels": 0.532, "ld50-zhu": 0.343, "herg": 0.835, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.911138004849184, "aff_pf": -1.6864914099375408, "aff_hs": -0.4962383508682251, "repeats_pf": {"runs": 3, "values": [-1.6637, -1.716, -1.6798], "mean": -1.6865, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [-0.3759, -0.3944, -0.7184], "mean": -0.4962, "spread": 0.3425}, "at": 1788587247}, "tier": 1, "alerts": [], "total_sd": 0.797, "total_ci95": [65.675, 68.702], "relegate_reason": [], "submitted_at": 1788560005, "scored_at": 1788587247, "rank": 452}, {"candidate_id": "ODC-700450", "res_at": 1789372580, "skeleton": "TUSUIVMPQUANFF", "hf_user": "Ku-ku", "display_name": "KK-M-0914-917", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 67.206, "axes": {"activity": 30.0, "binding": 11.73, "selectivity": 8.35, "admet": 6.1, "novelty": 6.76, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 6.444, "fraction": 1.0}, "binding": {"pIC50": 6.76, "LE": 0.331, "potency_term": 0.587, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.5, "selectivity_term": 0.712, "target_engagement": 0.587}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.92, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.968, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 6.4437368630735445, "aff_pf": -0.7599249482154846, "aff_hs": 0.6635684370994568, "repeats_pf": {"runs": 3, "values": [-0.7133, -0.7062, -0.8603], "mean": -0.7599, "spread": 0.1541}, "repeats_hs": {"runs": 3, "values": [0.5352, 0.6154, 0.8401], "mean": 0.6636, "spread": 0.3049}, "at": 1789372580}, "tier": 1, "alerts": [], "total_sd": 0.857, "total_ci95": [65.748, 68.716], "relegate_reason": [], "submitted_at": 1789352925, "scored_at": 1789372580, "rank": 453}, {"candidate_id": "ODC-607667", "res_at": 1788078727, "skeleton": "LDJWJXIJNZWODY", "hf_user": "Ku-ku", "display_name": "KK-M-0830-648", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 67.187, "axes": {"activity": 22.45, "binding": 16.51, "selectivity": 15.23, "admet": 3.74, "novelty": 6.08, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 7.48, "LE": 0.394, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 69.9, "selectivity_term": 0.922, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.805, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.588, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.947108685730604, "aff_pf": -1.4761614799499512, "aff_hs": 0.36861611406008404, "repeats_pf": {"runs": 3, "values": [-1.4471, -1.4997, -1.4817], "mean": -1.4762, "spread": 0.0526}, "repeats_hs": {"runs": 3, "values": [0.2408, 0.4107, 0.4544], "mean": 0.3686, "spread": 0.2135}, "at": 1788078727}, "tier": 1, "alerts": [], "total_sd": 0.541, "total_ci95": [66.143, 68.159], "relegate_reason": [], "submitted_at": 1788038791, "scored_at": 1788078727, "rank": 454}, {"candidate_id": "ODC-83B199", "res_at": 1788468864, "skeleton": "ZIFPFUQVMFWMSL", "hf_user": "Ku-ku", "display_name": "KK-M-0903-366", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········[Se]2", "total": 67.168, "axes": {"activity": 24.65, "binding": 15.62, "selectivity": 11.27, "admet": 7.11, "novelty": 6.08, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 6.079, "fraction": 0.822}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.7, "selectivity_term": 0.721, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.52, "herg": 0.71, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.93}}, "run": {"gpu": "0", "pAct_q10": 6.079247803238461, "aff_pf": -1.343723734219869, "aff_hs": 0.09831812977790833, "repeats_pf": {"runs": 3, "values": [-1.2851, -1.4682, -1.2779], "mean": -1.3437, "spread": 0.1903}, "repeats_hs": {"runs": 3, "values": [0.1444, -0.0628, 0.2133], "mean": 0.0983, "spread": 0.2761}, "at": 1788468864}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.079, "total_ci95": [65.214, 70.017], "relegate_reason": [], "submitted_at": 1788407801, "scored_at": 1788468864, "rank": 455}, {"candidate_id": "ODC-B8A288", "res_at": 1786899564, "skeleton": "SVIVJBRLMBELLR", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 67.167, "axes": {"activity": 26.08, "binding": 18.42, "selectivity": 8.64, "admet": 3.69, "novelty": 6.55, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.165, "fraction": 0.869}, "binding": {"pIC50": 7.76, "LE": 0.304, "potency_term": 0.921, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.469, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 0.969, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.868, "herg": 0.175, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 6.1650253057179905, "aff_pf": -1.7623903354008992, "aff_hs": -0.8239349722862244, "repeats_pf": {"runs": 3, "values": [-1.7542, -1.7879, -1.7451], "mean": -1.7624, "spread": 0.0428}, "repeats_hs": {"runs": 3, "values": [-0.9011, -0.7327, -0.838], "mean": -0.8239, "spread": 0.1684}, "at": 1786899564}, "tier": 1, "relegate_reason": [], "submitted_at": 1786897069, "scored_at": 1786899564, "alerts": [], "rank": 456}, {"candidate_id": "ODC-6CEA46", "res_at": 1787637191, "skeleton": "HPFSVRCHFNAPFP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F07", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 67.164, "axes": {"activity": 30.0, "binding": 17.02, "selectivity": 4.32, "admet": 5.06, "novelty": 6.9, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.404, "fraction": 1.0}, "binding": {"pIC50": 7.58, "LE": 0.297, "potency_term": 0.86, "efficiency_cap": 0.989}, "selectivity": {"fold": 3.2, "selectivity_term": 0.251, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.082, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.722, "herg": 0.221, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.403606770040588, "aff_pf": -1.5811327695846558, "aff_hs": -1.079319675763448, "repeats_pf": {"runs": 3, "values": [-1.5762, -1.5315, -1.6357], "mean": -1.5811, "spread": 0.1042}, "repeats_hs": {"runs": 3, "values": [-1.0845, -1.0094, -1.1441], "mean": -1.0793, "spread": 0.1348}, "at": 1787637191}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635221, "scored_at": 1787637191, "alerts": [], "rank": 457}, {"candidate_id": "ODC-F11522", "res_at": 1788968980, "skeleton": "GJELOWLQCWIKCQ", "hf_user": "Ku-ku", "display_name": "KK-M-0910-492", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 67.16, "axes": {"activity": 26.77, "binding": 13.64, "selectivity": 13.08, "admet": 4.64, "novelty": 6.14, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 6.206, "fraction": 0.892}, "binding": {"pIC50": 7.05, "LE": 0.333, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.7, "selectivity_term": 0.959, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.582, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.71, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "0", "pAct_q10": 6.2061268783362715, "aff_pf": -1.0460364818572998, "aff_hs": 0.8712069193522135, "repeats_pf": {"runs": 3, "values": [-1.0344, -1.0435, -1.0602], "mean": -1.046, "spread": 0.0258}, "repeats_hs": {"runs": 3, "values": [0.8594, 0.7744, 0.9798], "mean": 0.8712, "spread": 0.2054}, "at": 1788968980}, "tier": 1, "alerts": [], "total_sd": 0.322, "total_ci95": [66.524, 67.739], "relegate_reason": [], "submitted_at": 1788967904, "scored_at": 1788968980, "rank": 458}, {"candidate_id": "ODC-E49C29", "res_at": 1789142596, "skeleton": "NMCORMNAIIKJFH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-WA-09", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)COC1", "total": 67.138, "axes": {"activity": 30.0, "binding": 12.92, "selectivity": 7.71, "admet": 5.42, "novelty": 7.23, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.41, "fraction": 1.0}, "binding": {"pIC50": 7.14, "LE": 0.272, "potency_term": 0.713, "efficiency_cap": 0.906}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.713}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 0.939, "pgp-broccatelli": 0.395, "cyp2c9-veith": 0.484, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.593, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.4103208154777995, "aff_pf": -1.139282464981079, "aff_hs": -0.057884424924850464, "repeats_pf": {"runs": 3, "values": [-1.0088, -1.2151, -1.194], "mean": -1.1393, "spread": 0.2063}, "repeats_hs": {"runs": 3, "values": [0.1925, -0.5434, 0.1773], "mean": -0.0579, "spread": 0.7359}, "at": 1789142596}, "tier": 1, "alerts": [], "total_sd": 1.75, "total_ci95": [63.676, 70.242], "relegate_reason": [], "submitted_at": 1789141681, "scored_at": 1789142596, "rank": 459}, {"candidate_id": "ODC-4D39C9", "res_at": 1789479615, "skeleton": "ITDQDGALYJNDKB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-A2-R2OCF2-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 67.124, "axes": {"activity": 17.32, "binding": 19.23, "selectivity": 16.22, "admet": 3.89, "novelty": 6.9, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 7.94, "LE": 0.294, "potency_term": 0.981, "efficiency_cap": 0.98}, "selectivity": {"fold": 45.0, "selectivity_term": 0.827, "target_engagement": 0.981}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.05, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 5.639339620363525, "aff_pf": -1.9422927697499592, "aff_hs": -0.28884315490722656, "repeats_pf": {"runs": 3, "values": [-2.0091, -2.0697, -1.7481], "mean": -1.9423, "spread": 0.3217}, "repeats_hs": {"runs": 3, "values": [-0.3336, -0.2665, -0.2665], "mean": -0.2888, "spread": 0.0671}, "at": 1789479615}, "tier": 1, "alerts": [], "total_sd": 2.244, "total_ci95": [61.496, 69.924], "relegate_reason": [], "submitted_at": 1789479165, "scored_at": 1789479615, "rank": 460}, {"candidate_id": "ODC-5281BD", "res_at": 1788971006, "skeleton": "YMEDDTBPSKVPEC", "hf_user": "Ku-ku", "display_name": "KK-M-0910-654", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 67.077, "axes": {"activity": 30.0, "binding": 11.37, "selectivity": 9.58, "admet": 5.37, "novelty": 6.8, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.619, "fraction": 1.0}, "binding": {"pIC50": 6.7, "LE": 0.317, "potency_term": 0.568, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.5, "selectivity_term": 0.843, "target_engagement": 0.568}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.596, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.754, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.619489600698887, "aff_pf": -0.7048859596252441, "aff_hs": 0.9812963803609213, "repeats_pf": {"runs": 3, "values": [-0.8224, -0.6466, -0.6456], "mean": -0.7049, "spread": 0.1768}, "repeats_hs": {"runs": 3, "values": [1.1537, 0.8268, 0.9633], "mean": 0.9813, "spread": 0.3269}, "at": 1788971006}, "tier": 1, "alerts": [], "total_sd": 0.934, "total_ci95": [65.425, 69.235], "relegate_reason": [], "submitted_at": 1788967919, "scored_at": 1788971006, "rank": 461}, {"candidate_id": "ODC-B347F6", "res_at": 1788003009, "skeleton": "HINRZMIYNPVTCC", "hf_user": "Ku-ku", "display_name": "KK-M-0829-142", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 67.046, "axes": {"activity": 21.61, "binding": 17.6, "selectivity": 13.93, "admet": 4.42, "novelty": 6.1, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.896, "fraction": 0.72}, "binding": {"pIC50": 7.64, "LE": 0.403, "potency_term": 0.88, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.3, "selectivity_term": 0.792, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.621, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.89633865915504, "aff_pf": -1.6397459109624226, "aff_hs": -0.05638756354649862, "repeats_pf": {"runs": 3, "values": [-1.6652, -1.6299, -1.6242], "mean": -1.6397, "spread": 0.041}, "repeats_hs": {"runs": 3, "values": [-0.0162, 0.018, -0.171], "mean": -0.0564, "spread": 0.1891}, "at": 1788003009}, "tier": 1, "alerts": [], "total_sd": 0.468, "total_ci95": [66.238, 67.96], "relegate_reason": [], "submitted_at": 1787988786, "scored_at": 1788003009, "rank": 462}, {"candidate_id": "ODC-CAFF93", "res_at": 1787229217, "skeleton": "HKNILLAJJFGRGX", "hf_user": "takutoyo", "display_name": "PfD10-11", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 67.042, "axes": {"activity": 11.12, "binding": 19.68, "selectivity": 15.74, "admet": 11.64, "novelty": 5.27, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.267, "fraction": 0.371}, "binding": {"pIC50": 7.95, "LE": 0.495, "potency_term": 0.984, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.7, "selectivity_term": 0.799, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.789, "per_endpoint": {"solubility-aqsoldb": 0.628, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.828, "cyp3a4-substrate-carbonmangels": 0.839, "ld50-zhu": 0.48, "herg": 0.875, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.267292863916857, "aff_pf": -1.952584942181905, "aff_hs": -0.35367487867673236, "repeats_pf": {"runs": 3, "values": [-1.9176, -1.9663, -1.9738], "mean": -1.9526, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [-0.3144, -0.4024, -0.3442], "mean": -0.3537, "spread": 0.088}, "at": 1787229217}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787227273, "scored_at": 1787229217, "rank": 463}, {"candidate_id": "ODC-8950C6", "res_at": 1787444036, "skeleton": "GPDDCSJRIGUNPS", "hf_user": "Ku-ku", "display_name": "KK-M-0823-01", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 67.028, "axes": {"activity": 23.7, "binding": 17.55, "selectivity": 12.58, "admet": 5.49, "novelty": 3.6, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.022, "fraction": 0.79}, "binding": {"pIC50": 7.63, "LE": 0.436, "potency_term": 0.877, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.1, "selectivity_term": 0.717, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.468, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.321, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 6.02200622244154, "aff_pf": -1.6318381230036418, "aff_hs": -0.1980872650941213, "repeats_pf": {"runs": 3, "values": [-1.679, -1.7547, -1.4618], "mean": -1.6318, "spread": 0.2929}, "repeats_hs": {"runs": 3, "values": [-0.2168, -0.2136, -0.1639], "mean": -0.1981, "spread": 0.053}, "at": 1787444036}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443741, "scored_at": 1787444036, "alerts": [], "rank": 464}, {"candidate_id": "ODC-62DCDC", "res_at": 1788920019, "skeleton": "LVQOOWDDWRUVEX", "hf_user": "Ku-ku", "display_name": "KK-M-0909-651", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Cl··········)CCC2", "total": 67.013, "axes": {"activity": 21.19, "binding": 19.6, "selectivity": 9.93, "admet": 5.3, "novelty": 7.06, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.872, "fraction": 0.706}, "binding": {"pIC50": 7.94, "LE": 0.418, "potency_term": 0.98, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.98}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.614, "ld50-zhu": 0.465, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.871535940336563, "aff_pf": -1.9400910933812459, "aff_hs": -0.9269892573356628, "repeats_pf": {"runs": 3, "values": [-1.9998, -1.8276, -1.9929], "mean": -1.9401, "spread": 0.1723}, "repeats_hs": {"runs": 3, "values": [-0.9769, -0.8901, -0.914], "mean": -0.927, "spread": 0.0868}, "at": 1788920019}, "tier": 1, "alerts": [], "total_sd": 1.177, "total_ci95": [64.472, 68.711], "relegate_reason": [], "submitted_at": 1788905406, "scored_at": 1788920019, "rank": 465}, {"candidate_id": "ODC-3BA935", "res_at": 1788216342, "skeleton": "FOIJBKNNBYZKKP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 66.96, "axes": {"activity": 19.7, "binding": 16.64, "selectivity": 17.63, "admet": 4.23, "novelty": 5.55, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.657}, "binding": {"pIC50": 7.64, "LE": 0.283, "potency_term": 0.882, "efficiency_cap": 0.944}, "selectivity": {"fold": 301.2, "selectivity_term": 1.0, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.833, "herg": 0.05, "dili": 0.314}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.782074016757631, "aff_pf": -1.6446248690287273, "aff_hs": 0.8341981967290243, "repeats_pf": {"runs": 3, "values": [-1.5856, -1.6361, -1.7122], "mean": -1.6446, "spread": 0.1267}, "repeats_hs": {"runs": 3, "values": [0.7382, 0.7532, 1.0112], "mean": 0.8342, "spread": 0.273}, "at": 1788216342}, "tier": 1, "alerts": [], "total_sd": 0.668, "total_ci95": [65.681, 68.436], "relegate_reason": [], "submitted_at": 1788215022, "scored_at": 1788216342, "rank": 466}, {"candidate_id": "ODC-22A651", "res_at": 1789626305, "skeleton": "ZMVNCDRORFRMDV", "hf_user": "Ku-ku", "display_name": "KK-M-0917-384", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 66.955, "axes": {"activity": 14.33, "binding": 18.75, "selectivity": 15.5, "admet": 9.44, "novelty": 6.64, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.46, "fraction": 0.478}, "binding": {"pIC50": 7.81, "LE": 0.428, "potency_term": 0.938, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.0, "selectivity_term": 0.826, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.671, "per_endpoint": {"solubility-aqsoldb": 0.546, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.814, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.46, "herg": 0.604, "dili": 0.171}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 4.29}}, "run": {"gpu": "0", "pAct_q10": 5.459830684113378, "aff_pf": -1.812761902809143, "aff_hs": -0.15985712905724844, "repeats_pf": {"runs": 3, "values": [-1.8438, -1.8185, -1.7759], "mean": -1.8128, "spread": 0.0679}, "repeats_hs": {"runs": 3, "values": [-0.1847, -0.088, -0.2069], "mean": -0.1599, "spread": 0.1189}, "at": 1789626305}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.515, "total_ci95": [65.855, 67.966], "relegate_reason": [], "submitted_at": 1789621741, "scored_at": 1789626305, "rank": 467}, {"candidate_id": "ODC-E6AB6C", "res_at": 1787521468, "skeleton": "HOTAJQLBQNOSFF", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 66.943, "axes": {"activity": 22.43, "binding": 17.32, "selectivity": 12.47, "admet": 5.96, "novelty": 5.28, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.946, "fraction": 0.748}, "binding": {"pIC50": 7.6, "LE": 0.434, "potency_term": 0.866, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.6, "selectivity_term": 0.72, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.441, "herg": 0.616, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.945506604402717, "aff_pf": -1.5984814167022705, "aff_hs": -0.15831426034371057, "repeats_pf": {"runs": 3, "values": [-1.7093, -1.5995, -1.4866], "mean": -1.5985, "spread": 0.2227}, "repeats_hs": {"runs": 3, "values": [-0.2006, -0.0559, -0.2184], "mean": -0.1583, "spread": 0.1625}, "at": 1787521468}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520505, "scored_at": 1787521468, "alerts": [], "rank": 468}, {"candidate_id": "ODC-B8293D", "res_at": 1787221523, "skeleton": "XOQCGRADDGZHHL", "hf_user": "takutoyo", "display_name": "PfD9-B1", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.935, "axes": {"activity": 15.0, "binding": 18.89, "selectivity": 14.53, "admet": 9.93, "novelty": 5.02, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 7.83, "LE": 0.467, "potency_term": 0.945, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.6, "selectivity_term": 0.769, "target_engagement": 0.945}, "admet": {"geometric_mean": 0.701, "per_endpoint": {"solubility-aqsoldb": 0.736, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.905, "cyp3a4-substrate-carbonmangels": 0.992, "ld50-zhu": 0.463, "herg": 1.0, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.500013497467748, "aff_pf": -1.8339093923568726, "aff_hs": -0.2952329417069753, "repeats_pf": {"runs": 3, "values": [-1.8997, -1.7887, -1.8134], "mean": -1.8339, "spread": 0.111}, "repeats_hs": {"runs": 3, "values": [-0.5391, -0.1478, -0.1988], "mean": -0.2952, "spread": 0.3913}, "at": 1787221523}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218647, "scored_at": 1787221523, "rank": 469}, {"candidate_id": "ODC-C85CAD", "res_at": 1788919672, "skeleton": "YYHPLOAFSSRGDP", "hf_user": "Ku-ku", "display_name": "KK-M-0909-313", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········2(F)F", "total": 66.931, "axes": {"activity": 27.54, "binding": 15.18, "selectivity": 9.9, "admet": 4.41, "novelty": 6.7, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 6.252, "fraction": 0.918}, "binding": {"pIC50": 7.28, "LE": 0.356, "potency_term": 0.759, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.2, "selectivity_term": 0.652, "target_engagement": 0.759}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.968, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.153, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "0", "pAct_q10": 6.252459050485019, "aff_pf": -1.276334563891093, "aff_hs": 0.028179486592610676, "repeats_pf": {"runs": 3, "values": [-1.3027, -1.2304, -1.2959], "mean": -1.2763, "spread": 0.0723}, "repeats_hs": {"runs": 3, "values": [-0.3196, 0.2379, 0.1662], "mean": 0.0282, "spread": 0.5575}, "at": 1788919672}, "tier": 1, "alerts": [], "total_sd": 1.164, "total_ci95": [64.674, 68.762], "relegate_reason": [], "submitted_at": 1788905399, "scored_at": 1788919672, "rank": 470}, {"candidate_id": "ODC-929061", "res_at": 1788562504, "skeleton": "XBUXVOBMLTYLQW", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 66.9, "axes": {"activity": 27.8, "binding": 17.38, "selectivity": 6.62, "admet": 4.81, "novelty": 6.68, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 6.268, "fraction": 0.927}, "binding": {"pIC50": 7.62, "LE": 0.298, "potency_term": 0.874, "efficiency_cap": 0.994}, "selectivity": {"fold": 5.7, "selectivity_term": 0.379, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.492, "caco2-wang": 0.278, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.517, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.624, "herg": 0.054, "dili": 0.246}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.268278098658146, "aff_pf": -1.62135648727417, "aff_hs": -0.8640054861704508, "repeats_pf": {"runs": 3, "values": [-1.6193, -1.5264, -1.7184], "mean": -1.6214, "spread": 0.1919}, "repeats_hs": {"runs": 3, "values": [-0.9032, -1.1722, -0.5166], "mean": -0.864, "spread": 0.6556}, "at": 1788562504}, "tier": 1, "alerts": [], "total_sd": 1.585, "total_ci95": [63.763, 70.115], "relegate_reason": [], "submitted_at": 1788524417, "scored_at": 1788562504, "rank": 471}, {"candidate_id": "ODC-0E6712", "res_at": 1788576164, "skeleton": "IPLSOQXHDJKOBE", "hf_user": "1Dmeds", "display_name": "ODC26-S1D20", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 66.894, "axes": {"activity": 16.87, "binding": 18.69, "selectivity": 16.83, "admet": 4.35, "novelty": 6.51, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.612, "fraction": 0.562}, "binding": {"pIC50": 7.88, "LE": 0.292, "potency_term": 0.961, "efficiency_cap": 0.973}, "selectivity": {"fold": 56.4, "selectivity_term": 0.876, "target_engagement": 0.961}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.634, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.612424674014623, "aff_pf": -1.8821399609247844, "aff_hs": -0.13078953822453818, "repeats_pf": {"runs": 3, "values": [-1.9059, -1.8731, -1.8674], "mean": -1.8821, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [-0.2153, -0.0421, -0.135], "mean": -0.1308, "spread": 0.1732}, "at": 1788576164}, "tier": 1, "alerts": [], "total_sd": 0.481, "total_ci95": [65.942, 67.806], "relegate_reason": [], "submitted_at": 1788555494, "scored_at": 1788576164, "rank": 472}, {"candidate_id": "ODC-67FA83", "res_at": 1788082895, "skeleton": "GFXDUFRBVXSOQI", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 66.861, "axes": {"activity": 30.0, "binding": 11.63, "selectivity": 10.22, "admet": 3.84, "novelty": 6.93, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 6.522, "fraction": 1.0}, "binding": {"pIC50": 7.06, "LE": 0.254, "potency_term": 0.686, "efficiency_cap": 0.848}, "selectivity": {"fold": 31.0, "selectivity_term": 0.745, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.104, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.541, "herg": 0.05, "dili": 0.104}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 6.521652436226691, "aff_pf": -1.0566717982292175, "aff_hs": 0.43400347232818604, "repeats_pf": {"runs": 3, "values": [-0.8837, -1.4304, -0.8559], "mean": -1.0567, "spread": 0.5745}, "repeats_hs": {"runs": 3, "values": [0.7795, 0.2749, 0.2476], "mean": 0.434, "spread": 0.5319}, "at": 1788082895}, "tier": 1, "alerts": [], "total_sd": 3.197, "total_ci95": [62.191, 75.685], "relegate_reason": [], "submitted_at": 1788069663, "scored_at": 1788082895, "rank": 473}, {"candidate_id": "ODC-0B26E2", "res_at": 1788083107, "skeleton": "ASYWEJWDINJWOA", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 66.86, "axes": {"activity": 30.0, "binding": 16.02, "selectivity": 5.74, "admet": 3.95, "novelty": 7.0, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 6.483, "fraction": 1.0}, "binding": {"pIC50": 7.62, "LE": 0.275, "potency_term": 0.875, "efficiency_cap": 0.916}, "selectivity": {"fold": 4.5, "selectivity_term": 0.328, "target_engagement": 0.875}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 0.84, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.718, "herg": 0.098, "dili": 0.08}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 6.483453379878874, "aff_pf": -1.6235693295796711, "aff_hs": -0.9674831430117289, "repeats_pf": {"runs": 3, "values": [-1.6058, -1.6123, -1.6525], "mean": -1.6236, "spread": 0.0467}, "repeats_hs": {"runs": 3, "values": [-0.9626, -1.055, -0.8849], "mean": -0.9675, "spread": 0.1702}, "at": 1788083107}, "tier": 1, "alerts": [], "total_sd": 0.422, "total_ci95": [66.094, 67.657], "relegate_reason": [], "submitted_at": 1788069679, "scored_at": 1788083107, "rank": 474}, {"candidate_id": "ODC-AF9115", "res_at": 1787150818, "skeleton": "NKAHLBMRNJNIFS", "hf_user": "Ku-ku", "display_name": "M01_SCHF2_4I", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.849, "axes": {"activity": 22.39, "binding": 15.94, "selectivity": 15.94, "admet": 5.72, "novelty": 3.13, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.944, "fraction": 0.746}, "binding": {"pIC50": 7.39, "LE": 0.46, "potency_term": 0.797, "efficiency_cap": 1.0}, "selectivity": {"fold": 115.7, "selectivity_term": 1.0, "target_engagement": 0.797}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.336, "cyp3a4-substrate-carbonmangels": 0.399, "ld50-zhu": 0.248, "herg": 0.816, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.943526159825797, "aff_pf": -1.3916184504826863, "aff_hs": 0.6715339223543803, "repeats_pf": {"runs": 3, "values": [-1.3952, -1.3938, -1.3859], "mean": -1.3916, "spread": 0.0093}, "repeats_hs": {"runs": 3, "values": [0.5219, 0.6932, 0.7995], "mean": 0.6715, "spread": 0.2776}, "at": 1787150818}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148005, "scored_at": 1787150818, "alerts": [], "rank": 475}, {"candidate_id": "ODC-1B13CA", "res_at": 1786867214, "skeleton": "RUFVQQMNVGPGLE", "hf_user": "choa712", "display_name": "LUCY-R3-02", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 66.847, "axes": {"activity": 23.06, "binding": 16.45, "selectivity": 11.73, "admet": 6.67, "novelty": 5.35, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.984, "fraction": 0.769}, "binding": {"pIC50": 7.47, "LE": 0.465, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.7, "selectivity_term": 0.713, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.82, "ld50-zhu": 0.387, "herg": 0.814, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.983666298683689, "aff_pf": -1.4669969081878662, "aff_hs": -0.04043515771627426, "repeats_pf": {"runs": 3, "values": [-1.551, -1.4501, -1.3999], "mean": -1.467, "spread": 0.151}, "repeats_hs": {"runs": 3, "values": [-0.1085, -0.0184, 0.0056], "mean": -0.0404, "spread": 0.1141}, "at": 1786867214}, "tier": 1, "relegate_reason": [], "submitted_at": 1786858559, "scored_at": 1786867214, "alerts": [], "rank": 476}, {"candidate_id": "ODC-8C56A5", "res_at": 1786925530, "skeleton": "RLNFZWJPGQYWFC", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 66.842, "axes": {"activity": 18.69, "binding": 17.89, "selectivity": 17.29, "admet": 3.86, "novelty": 5.22, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.722, "fraction": 0.623}, "binding": {"pIC50": 7.68, "LE": 0.351, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 85.6, "selectivity_term": 0.966, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.718, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.721659821760272, "aff_pf": -1.6839731534322102, "aff_hs": 0.24871244033177695, "repeats_pf": {"runs": 3, "values": [-1.6915, -1.6094, -1.751], "mean": -1.684, "spread": 0.1416}, "repeats_hs": {"runs": 3, "values": [0.1059, 0.3528, 0.2875], "mean": 0.2487, "spread": 0.2469}, "at": 1786925530}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923054, "scored_at": 1786925530, "alerts": [], "rank": 477}, {"candidate_id": "ODC-42EE11", "res_at": 1787221711, "skeleton": "NPJYYTFJNZOVRW", "hf_user": "takutoyo", "display_name": "PfD9-B2", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.841, "axes": {"activity": 15.1, "binding": 19.05, "selectivity": 13.61, "admet": 10.98, "novelty": 4.52, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.503}, "binding": {"pIC50": 7.86, "LE": 0.468, "potency_term": 0.952, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.8, "selectivity_term": 0.714, "target_engagement": 0.952}, "admet": {"geometric_mean": 0.769, "per_endpoint": {"solubility-aqsoldb": 0.633, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.855, "cyp3a4-substrate-carbonmangels": 0.741, "ld50-zhu": 0.414, "herg": 1.0, "dili": 0.757}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.506240555696736, "aff_pf": -1.857199748357137, "aff_hs": -0.4284139076868693, "repeats_pf": {"runs": 3, "values": [-1.8561, -1.8315, -1.884], "mean": -1.8572, "spread": 0.0526}, "repeats_hs": {"runs": 3, "values": [-0.3414, -0.3176, -0.6262], "mean": -0.4284, "spread": 0.3086}, "at": 1787221711}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218660, "scored_at": 1787221711, "rank": 478}, {"candidate_id": "ODC-33752A", "res_at": 1786907126, "skeleton": "GKDVNJGXEXLZTA", "hf_user": "choa712", "display_name": "LUCY-L8-01", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 66.833, "axes": {"activity": 23.82, "binding": 14.13, "selectivity": 14.13, "admet": 6.26, "novelty": 5.17, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.029, "fraction": 0.794}, "binding": {"pIC50": 7.12, "LE": 0.406, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 221.6, "selectivity_term": 1.0, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.499, "ld50-zhu": 0.416, "herg": 0.84, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.029005436747983, "aff_pf": -1.1202301581700642, "aff_hs": 1.2253461678822835, "repeats_pf": {"runs": 3, "values": [-1.1779, -1.1061, -1.0768], "mean": -1.1202, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [1.0959, 1.245, 1.3351], "mean": 1.2253, "spread": 0.2393}, "at": 1786907126}, "tier": 1, "relegate_reason": [], "submitted_at": 1786894523, "scored_at": 1786907126, "alerts": [], "rank": 479}, {"candidate_id": "ODC-2860AF", "res_at": 1787556912, "skeleton": "CEPFMRDHHQEIFK", "hf_user": "takutoyo", "display_name": "PfD16-01", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 66.814, "axes": {"activity": 25.21, "binding": 14.9, "selectivity": 15.91, "admet": 2.91, "novelty": 5.09, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 6.113, "fraction": 0.84}, "binding": {"pIC50": 7.39, "LE": 0.281, "potency_term": 0.795, "efficiency_cap": 0.937}, "selectivity": {"fold": 125.8, "selectivity_term": 1.0, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.441, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.497, "ld50-zhu": 0.433, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "3", "pAct_q10": 6.1125508560269814, "aff_pf": -1.3861595789591472, "aff_hs": 0.7135626673698425, "repeats_pf": {"runs": 3, "values": [-1.3055, -1.4262, -1.4268], "mean": -1.3862, "spread": 0.1212}, "repeats_hs": {"runs": 3, "values": [0.7881, 0.7018, 0.6509], "mean": 0.7136, "spread": 0.1372}, "at": 1787556912}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544002, "scored_at": 1787556912, "alerts": [], "rank": 480}, {"candidate_id": "ODC-CEF3F9", "res_at": 1788002017, "skeleton": "KRELLYDCXSYQIA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R151-03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 66.813, "axes": {"activity": 29.43, "binding": 15.41, "selectivity": 5.01, "admet": 6.22, "novelty": 6.97, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.366, "fraction": 0.981}, "binding": {"pIC50": 7.4, "LE": 0.29, "potency_term": 0.799, "efficiency_cap": 0.965}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.338, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.629, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.112, "dili": 0.321}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 6.365711371164205, "aff_pf": -1.3960470755894978, "aff_hs": -0.768627921740214, "repeats_pf": {"runs": 3, "values": [-1.4104, -1.4431, -1.3347], "mean": -1.396, "spread": 0.1084}, "repeats_hs": {"runs": 3, "values": [-0.8594, -0.8828, -0.5636], "mean": -0.7686, "spread": 0.3192}, "at": 1788002017}, "tier": 1, "alerts": [], "total_sd": 0.753, "total_ci95": [65.371, 68.29], "relegate_reason": [], "submitted_at": 1787988705, "scored_at": 1788002017, "rank": 481}, {"candidate_id": "ODC-AD83BF", "res_at": 1787659586, "skeleton": "GIADLZMUQHWIPU", "hf_user": "Ku-ku", "display_name": "KK-M-0825-12", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 66.783, "axes": {"activity": 25.43, "binding": 17.32, "selectivity": 8.84, "admet": 5.89, "novelty": 5.81, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.126, "fraction": 0.848}, "binding": {"pIC50": 7.6, "LE": 0.4, "potency_term": 0.866, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.565, "ld50-zhu": 0.534, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.12576661527489, "aff_pf": -1.5979708830515544, "aff_hs": -0.576771005988121, "repeats_pf": {"runs": 3, "values": [-1.5645, -1.6461, -1.5833], "mean": -1.598, "spread": 0.0816}, "repeats_hs": {"runs": 3, "values": [-0.2076, -0.7077, -0.8151], "mean": -0.5768, "spread": 0.6075}, "at": 1787659586}, "tier": 1, "relegate_reason": [], "submitted_at": 1787659199, "scored_at": 1787659586, "alerts": [], "rank": 482}, {"candidate_id": "ODC-A2BA25", "res_at": 1786869278, "skeleton": "JNTNETCJNXRMBK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 66.755, "axes": {"activity": 13.69, "binding": 19.23, "selectivity": 17.95, "admet": 7.13, "novelty": 4.55, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 7.88, "LE": 0.491, "potency_term": 0.962, "efficiency_cap": 1.0}, "selectivity": {"fold": 73.5, "selectivity_term": 0.933, "target_engagement": 0.962}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.897, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.629, "herg": 0.671, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.421383029337273, "aff_pf": -1.8846033016840618, "aff_hs": -0.018268093466758728, "repeats_pf": {"runs": 3, "values": [-1.845, -1.9048, -1.904], "mean": -1.8846, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [-0.1274, 0.0042, 0.0684], "mean": -0.0183, "spread": 0.1959}, "at": 1786869278}, "tier": 1, "relegate_reason": [], "submitted_at": 1786860238, "scored_at": 1786869278, "alerts": [], "rank": 483}, {"candidate_id": "ODC-1D19D1", "res_at": 1786925247, "skeleton": "XNNNWLPCABVOGP", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 66.752, "axes": {"activity": 18.89, "binding": 17.96, "selectivity": 16.99, "admet": 3.88, "novelty": 5.34, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.733, "fraction": 0.63}, "binding": {"pIC50": 7.69, "LE": 0.34, "potency_term": 0.898, "efficiency_cap": 1.0}, "selectivity": {"fold": 78.1, "selectivity_term": 0.946, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.756, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "1", "pAct_q10": 5.733157200255137, "aff_pf": -1.6938525040944417, "aff_hs": 0.1986519048611323, "repeats_pf": {"runs": 3, "values": [-1.7405, -1.7202, -1.6208], "mean": -1.6939, "spread": 0.1197}, "repeats_hs": {"runs": 3, "values": [0.3616, 0.1185, 0.1158], "mean": 0.1987, "spread": 0.2458}, "at": 1786925247}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923043, "scored_at": 1786925247, "alerts": [], "rank": 484}, {"candidate_id": "ODC-04E640", "res_at": 1787610890, "skeleton": "AQORKELGDQHXKN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 66.729, "axes": {"activity": 30.0, "binding": 17.19, "selectivity": 3.77, "admet": 4.86, "novelty": 6.96, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.453, "fraction": 1.0}, "binding": {"pIC50": 7.71, "LE": 0.285, "potency_term": 0.903, "efficiency_cap": 0.952}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.363, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.698, "herg": 0.073, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.453332353314957, "aff_pf": -1.709247310956319, "aff_hs": -1.2921964724858601, "repeats_pf": {"runs": 3, "values": [-1.6597, -1.662, -1.806], "mean": -1.7092, "spread": 0.1463}, "repeats_hs": {"runs": 3, "values": [-1.2747, -1.2761, -1.3259], "mean": -1.2922, "spread": 0.0512}, "at": 1787610890}, "tier": 1, "relegate_reason": [], "submitted_at": 1787609632, "scored_at": 1787610890, "alerts": [], "rank": 485}, {"candidate_id": "ODC-BFCB28", "res_at": 1786789195, "skeleton": "YWXGWDANLKRYNA", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 66.722, "axes": {"activity": 15.21, "binding": 18.59, "selectivity": 18.59, "admet": 6.65, "novelty": 3.16, "synthesis": 4.53}, "detail": {"activity": {"pAct_q10": 5.513, "fraction": 0.507}, "binding": {"pIC50": 7.79, "LE": 0.508, "potency_term": 0.929, "efficiency_cap": 1.0}, "selectivity": {"fold": 140.1, "selectivity_term": 1.0, "target_engagement": 0.929}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.299, "ld50-zhu": 0.42, "herg": 0.245, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.5127618642881835, "aff_pf": -1.7878237962722778, "aff_hs": 0.35871506730715436, "repeats_pf": {"runs": 3, "values": [-1.7907, -1.7676, -1.8052], "mean": -1.7878, "spread": 0.0376}, "repeats_hs": {"runs": 3, "values": [0.3141, 0.2947, 0.4673], "mean": 0.3587, "spread": 0.1726}, "at": 1786789195}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781214, "scored_at": 1786789195, "alerts": [], "rank": 486}, {"candidate_id": "ODC-1F06D6", "res_at": 1787653643, "skeleton": "LIKIDYRKUBKQMN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 66.708, "axes": {"activity": 29.03, "binding": 13.5, "selectivity": 6.39, "admet": 8.82, "novelty": 7.45, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 6.342, "fraction": 0.968}, "binding": {"pIC50": 7.02, "LE": 0.321, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.474, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.608, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.741, "cyp2c9-veith": 0.973, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.786, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.23, "novelty": 0.77}, "synthesis": {"sa_score": 4.91}}, "run": {"gpu": "3", "pAct_q10": 6.341668734762858, "aff_pf": -1.024838964144389, "aff_hs": -0.0778278112411499, "repeats_pf": {"runs": 3, "values": [-0.9648, -1.1858, -0.9239], "mean": -1.0248, "spread": 0.2619}, "repeats_hs": {"runs": 3, "values": [0.0198, -0.1185, -0.1348], "mean": -0.0778, "spread": 0.1546}, "at": 1787653643}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648044, "scored_at": 1787653643, "alerts": [], "rank": 487}, {"candidate_id": "ODC-E5DB1C", "res_at": 1789094854, "skeleton": "QRCGHJSXMPPINI", "hf_user": "Ku-ku", "display_name": "KK-M-0911-104", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 66.696, "axes": {"activity": 28.36, "binding": 12.83, "selectivity": 11.89, "admet": 4.11, "novelty": 6.47, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 6.302, "fraction": 0.945}, "binding": {"pIC50": 6.92, "LE": 0.327, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 71.4, "selectivity_term": 0.927, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.48, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "0", "pAct_q10": 6.301512889845676, "aff_pf": -0.9244268933931986, "aff_hs": 0.9292024374008179, "repeats_pf": {"runs": 3, "values": [-0.956, -0.8965, -0.9207], "mean": -0.9244, "spread": 0.0595}, "repeats_hs": {"runs": 3, "values": [1.0524, 0.9178, 0.8173], "mean": 0.9292, "spread": 0.2351}, "at": 1789094854}, "tier": 1, "alerts": [], "total_sd": 0.46, "total_ci95": [65.756, 67.587], "relegate_reason": [], "submitted_at": 1789089362, "scored_at": 1789094854, "rank": 488}, {"candidate_id": "ODC-77A3AB", "res_at": 1787086501, "skeleton": "DWRKWZVDSHBXIJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········(F)C1", "total": 66.662, "axes": {"activity": 25.68, "binding": 19.03, "selectivity": 7.44, "admet": 4.27, "novelty": 6.67, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 6.141, "fraction": 0.856}, "binding": {"pIC50": 7.86, "LE": 0.299, "potency_term": 0.954, "efficiency_cap": 0.997}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.728, "herg": 0.062, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.14078809414243, "aff_pf": -1.8623262643814087, "aff_hs": -1.082556148370107, "repeats_pf": {"runs": 3, "values": [-1.8471, -1.8221, -1.9178], "mean": -1.8623, "spread": 0.0957}, "repeats_hs": {"runs": 3, "values": [-1.5744, -1.011, -0.6623], "mean": -1.0826, "spread": 0.9121}, "at": 1787086501}, "tier": 1, "relegate_reason": [], "submitted_at": 1787076231, "scored_at": 1787086501, "alerts": [], "rank": 489}, {"candidate_id": "ODC-A5698C", "res_at": 1787559984, "skeleton": "XRKPEUWPFWMDAS", "hf_user": "Ku-ku", "display_name": "KK-M-0824-11", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCO2", "total": 66.655, "axes": {"activity": 21.13, "binding": 17.81, "selectivity": 12.27, "admet": 5.92, "novelty": 5.94, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.868, "fraction": 0.704}, "binding": {"pIC50": 7.67, "LE": 0.42, "potency_term": 0.891, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.8, "selectivity_term": 0.689, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.784, "ld50-zhu": 0.53, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.867997004767971, "aff_pf": -1.6716129382451375, "aff_hs": -0.29432424902915955, "repeats_pf": {"runs": 3, "values": [-1.6723, -1.6942, -1.6483], "mean": -1.6716, "spread": 0.0459}, "repeats_hs": {"runs": 3, "values": [-0.5875, -0.2506, -0.0449], "mean": -0.2943, "spread": 0.5426}, "at": 1787559984}, "tier": 1, "relegate_reason": [], "submitted_at": 1787548534, "scored_at": 1787559984, "alerts": [], "rank": 490}, {"candidate_id": "ODC-4D4961", "res_at": 1786872646, "skeleton": "FGNRWCYSSMPYNH", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(C(F)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 66.647, "axes": {"activity": 17.94, "binding": 18.85, "selectivity": 14.6, "admet": 6.57, "novelty": 4.38, "synthesis": 4.3}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.598}, "binding": {"pIC50": 7.83, "LE": 0.447, "potency_term": 0.943, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.4, "selectivity_term": 0.775, "target_engagement": 0.943}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.571, "ld50-zhu": 0.56, "herg": 0.395, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.676602754446736, "aff_pf": -1.8276713291803997, "aff_hs": -0.27857549985249835, "repeats_pf": {"runs": 3, "values": [-1.7975, -1.844, -1.8414], "mean": -1.8277, "spread": 0.0465}, "repeats_hs": {"runs": 3, "values": [-0.347, -0.1777, -0.311], "mean": -0.2786, "spread": 0.1693}, "at": 1786872646}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866214, "scored_at": 1786872646, "alerts": [], "rank": 491}, {"candidate_id": "ODC-056EDB", "res_at": 1786933342, "skeleton": "NLAAOWJFEQKTSM", "hf_user": "ipsych", "display_name": "TPZ-CN5-SMe-4CF3-3Cl", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 66.639, "axes": {"activity": 16.31, "binding": 18.31, "selectivity": 17.66, "admet": 5.82, "novelty": 4.58, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 7.75, "LE": 0.424, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 85.0, "selectivity_term": 0.965, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.707, "cyp2c9-veith": 0.127, "cyp3a4-substrate-carbonmangels": 0.125, "ld50-zhu": 0.634, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.5787543609341546, "aff_pf": -1.7460133234659831, "aff_hs": 0.1835436448454857, "repeats_pf": {"runs": 3, "values": [-1.7741, -1.764, -1.6999], "mean": -1.746, "spread": 0.0742}, "repeats_hs": {"runs": 3, "values": [0.2863, 0.1028, 0.1615], "mean": 0.1835, "spread": 0.1835}, "at": 1786933342}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926126, "scored_at": 1786933342, "alerts": [], "rank": 492}, {"candidate_id": "ODC-63132C", "res_at": 1787657763, "skeleton": "VOUCADXKYHFDBF", "hf_user": "Ku-ku", "display_name": "KK-M-0825-05", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 66.56, "axes": {"activity": 25.47, "binding": 17.19, "selectivity": 9.55, "admet": 5.31, "novelty": 5.73, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.128, "fraction": 0.849}, "binding": {"pIC50": 7.58, "LE": 0.399, "potency_term": 0.859, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.555, "target_engagement": 0.859}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.868, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.785, "ld50-zhu": 0.458, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.12814027299117, "aff_pf": -1.5779425700505574, "aff_hs": -0.46696221828460693, "repeats_pf": {"runs": 3, "values": [-1.6735, -1.5552, -1.5051], "mean": -1.5779, "spread": 0.1684}, "repeats_hs": {"runs": 3, "values": [-0.5771, -0.5225, -0.3013], "mean": -0.467, "spread": 0.2758}, "at": 1787657763}, "tier": 1, "relegate_reason": [], "submitted_at": 1787656833, "scored_at": 1787657763, "alerts": [], "rank": 493}, {"candidate_id": "ODC-172054", "res_at": 1786873578, "skeleton": "BTJPQPCFRHPLQQ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.491, "axes": {"activity": 13.76, "binding": 19.17, "selectivity": 19.17, "admet": 5.84, "novelty": 4.28, "synthesis": 4.27}, "detail": {"activity": {"pAct_q10": 5.425, "fraction": 0.459}, "binding": {"pIC50": 7.88, "LE": 0.49, "potency_term": 0.959, "efficiency_cap": 1.0}, "selectivity": {"fold": 109.6, "selectivity_term": 1.0, "target_engagement": 0.959}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.522, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.425373151635275, "aff_pf": -1.876242955525716, "aff_hs": 0.16364944477876028, "repeats_pf": {"runs": 3, "values": [-1.874, -1.866, -1.8887], "mean": -1.8762, "spread": 0.0227}, "repeats_hs": {"runs": 3, "values": [0.2183, 0.0945, 0.1782], "mean": 0.1636, "spread": 0.1238}, "at": 1786873578}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866291, "scored_at": 1786873578, "alerts": [], "rank": 494}, {"candidate_id": "ODC-8E117F", "res_at": 1788560474, "skeleton": "OHHNQLBAFOLORD", "hf_user": "1Dmeds", "display_name": "ODC26-S1D20", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 66.489, "axes": {"activity": 20.23, "binding": 19.37, "selectivity": 13.05, "admet": 3.33, "novelty": 6.62, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.814, "fraction": 0.674}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.2, "selectivity_term": 0.674, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.277, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.835, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.813837445813043, "aff_pf": -1.90601913134257, "aff_hs": -0.5588834633429846, "repeats_pf": {"runs": 3, "values": [-2.0537, -1.9805, -1.6838], "mean": -1.906, "spread": 0.3699}, "repeats_hs": {"runs": 3, "values": [-0.7388, -0.2414, -0.6965], "mean": -0.5589, "spread": 0.4974}, "at": 1788560474}, "tier": 1, "alerts": [], "total_sd": 2.882, "total_ci95": [60.188, 70.876], "relegate_reason": [], "submitted_at": 1788517898, "scored_at": 1788560474, "rank": 495}, {"candidate_id": "ODC-FAE8B2", "res_at": 1788310224, "skeleton": "MHOINTGMYAALDR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-C-Y-C3-sp7-CCH", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 66.487, "axes": {"activity": 30.0, "binding": 13.09, "selectivity": 7.9, "admet": 4.5, "novelty": 7.3, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.42, "fraction": 1.0}, "binding": {"pIC50": 7.25, "LE": 0.261, "potency_term": 0.751, "efficiency_cap": 0.872}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.483, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.587, "herg": 0.121, "dili": 0.191}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 6.420197107879806, "aff_pf": -1.2525143225987752, "aff_hs": -0.1997602035601934, "repeats_pf": {"runs": 3, "values": [-1.2315, -1.2944, -1.2317], "mean": -1.2525, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [-0.4141, 0.0412, -0.2265], "mean": -0.1998, "spread": 0.4553}, "at": 1788310224}, "tier": 1, "alerts": [], "total_sd": 0.882, "total_ci95": [64.878, 68.435], "relegate_reason": [], "submitted_at": 1788302130, "scored_at": 1788310224, "rank": 496}, {"candidate_id": "ODC-5D2915", "res_at": 1789535379, "skeleton": "UQBJULJYZYFITN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.486, "axes": {"activity": 20.54, "binding": 18.72, "selectivity": 11.56, "admet": 6.64, "novelty": 4.91, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.833, "fraction": 0.685}, "binding": {"pIC50": 7.81, "LE": 0.428, "potency_term": 0.936, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.2, "selectivity_term": 0.618, "target_engagement": 0.936}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.475, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.832597392524012, "aff_pf": -1.80768088499705, "aff_hs": -0.5725050965944926, "repeats_pf": {"runs": 3, "values": [-1.8414, -1.805, -1.7767], "mean": -1.8077, "spread": 0.0647}, "repeats_hs": {"runs": 3, "values": [-0.6552, -0.532, -0.5303], "mean": -0.5725, "spread": 0.1249}, "at": 1789535379}, "tier": 1, "alerts": [], "total_sd": 0.476, "total_ci95": [65.404, 67.425], "relegate_reason": [], "submitted_at": 1789525052, "scored_at": 1789535379, "rank": 497}, {"candidate_id": "ODC-2A3265", "res_at": 1786865718, "skeleton": "XXLZBSNYQCHTAO", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 66.434, "axes": {"activity": 14.37, "binding": 18.68, "selectivity": 16.53, "admet": 7.89, "novelty": 4.83, "synthesis": 4.14}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 7.8, "LE": 0.486, "potency_term": 0.934, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.7, "selectivity_term": 0.884, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.595, "ld50-zhu": 0.543, "herg": 0.618, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.461928169163562, "aff_pf": -1.8026416301727295, "aff_hs": -0.0336612860361735, "repeats_pf": {"runs": 3, "values": [-1.762, -1.8274, -1.8185], "mean": -1.8026, "spread": 0.0654}, "repeats_hs": {"runs": 3, "values": [0.0451, -0.1628, 0.0167], "mean": -0.0337, "spread": 0.2078}, "at": 1786865718}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856358, "scored_at": 1786865718, "alerts": [], "rank": 498}, {"candidate_id": "ODC-1E05B8", "res_at": 1788187198, "skeleton": "LKGJWKNGPPTVKR", "hf_user": "Ku-ku", "display_name": "KK-M-0831-416", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········F)c1F", "total": 66.42, "axes": {"activity": 24.43, "binding": 17.82, "selectivity": 10.55, "admet": 4.52, "novelty": 6.35, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 6.066, "fraction": 0.814}, "binding": {"pIC50": 7.67, "LE": 0.389, "potency_term": 0.891, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.3, "selectivity_term": 0.592, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.389, "ld50-zhu": 0.397, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "0", "pAct_q10": 6.065556880306997, "aff_pf": -1.6724906762440999, "aff_hs": -0.4881560802459717, "repeats_pf": {"runs": 3, "values": [-1.661, -1.6619, -1.6946], "mean": -1.6725, "spread": 0.0336}, "repeats_hs": {"runs": 3, "values": [-0.5229, -0.4485, -0.4931], "mean": -0.4882, "spread": 0.0743}, "at": 1788187198}, "tier": 1, "alerts": [], "total_sd": 0.262, "total_ci95": [65.932, 66.966], "relegate_reason": [], "submitted_at": 1788186757, "scored_at": 1788187198, "rank": 499}, {"candidate_id": "ODC-D4CD08", "res_at": 1788079728, "skeleton": "BFFRSHJBTWBBCH", "hf_user": "Ku-ku", "display_name": "KK-M-0830-199", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1nc2n··········3)c1F", "total": 66.392, "axes": {"activity": 27.08, "binding": 17.55, "selectivity": 7.16, "admet": 4.7, "novelty": 6.5, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 6.225, "fraction": 0.903}, "binding": {"pIC50": 7.63, "LE": 0.402, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.408, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.881, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.28, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 6.2246978953876715, "aff_pf": -1.6328004201253254, "aff_hs": -0.8166307210922241, "repeats_pf": {"runs": 3, "values": [-1.5617, -1.7355, -1.6012], "mean": -1.6328, "spread": 0.1738}, "repeats_hs": {"runs": 3, "values": [-0.8784, -0.7757, -0.7958], "mean": -0.8166, "spread": 0.1027}, "at": 1788079728}, "tier": 1, "alerts": [], "total_sd": 0.832, "total_ci95": [65.058, 68.191], "relegate_reason": [], "submitted_at": 1788038821, "scored_at": 1788079728, "rank": 500}, {"candidate_id": "ODC-5F73CF", "res_at": 1787246207, "skeleton": "WPSOXTDPMGAPRB", "hf_user": "1Dmeds", "display_name": "ODC26-R15-21", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 66.39, "axes": {"activity": 24.08, "binding": 17.29, "selectivity": 11.05, "admet": 5.31, "novelty": 5.27, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 6.045, "fraction": 0.803}, "binding": {"pIC50": 7.59, "LE": 0.434, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.639, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.464, "herg": 0.514, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.0450135941652565, "aff_pf": -1.5942038297653198, "aff_hs": -0.3165137320756912, "repeats_pf": {"runs": 3, "values": [-1.7276, -1.5533, -1.5018], "mean": -1.5942, "spread": 0.2258}, "repeats_hs": {"runs": 3, "values": [-0.1902, -0.358, -0.4014], "mean": -0.3165, "spread": 0.2112}, "at": 1787246207}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238625, "scored_at": 1787246207, "alerts": [], "rank": 501}, {"candidate_id": "ODC-D09D51", "res_at": 1788224915, "skeleton": "VLLSGBPALJFMFZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R04", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 66.364, "axes": {"activity": 19.88, "binding": 17.5, "selectivity": 15.69, "admet": 4.62, "novelty": 5.17, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.793, "fraction": 0.663}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.915, "efficiency_cap": 0.956}, "selectivity": {"fold": 51.7, "selectivity_term": 0.857, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 0.945, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.384, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.37, "dili": 0.136}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.792515904602532, "aff_pf": -1.7463366587956746, "aff_hs": -0.032753639544049896, "repeats_pf": {"runs": 3, "values": [-1.8012, -1.7747, -1.6631], "mean": -1.7463, "spread": 0.1381}, "repeats_hs": {"runs": 3, "values": [-0.0062, 0.0361, -0.1281], "mean": -0.0328, "spread": 0.1642}, "at": 1788224915}, "tier": 1, "alerts": [], "total_sd": 1.096, "total_ci95": [63.895, 68.267], "relegate_reason": [], "submitted_at": 1788165672, "scored_at": 1788224915, "rank": 502}, {"candidate_id": "ODC-EB9B96", "res_at": 1787007109, "skeleton": "JCHSMZDEBKIERN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 66.345, "axes": {"activity": 23.47, "binding": 17.2, "selectivity": 10.3, "admet": 6.5, "novelty": 5.36, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 6.008, "fraction": 0.782}, "binding": {"pIC50": 7.58, "LE": 0.415, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.8, "selectivity_term": 0.599, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.483, "cyp3a4-substrate-carbonmangels": 0.826, "ld50-zhu": 0.376, "herg": 0.527, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 6.008111521861461, "aff_pf": -1.579965591430664, "aff_hs": -0.38258376717567444, "repeats_pf": {"runs": 3, "values": [-1.6219, -1.4952, -1.6229], "mean": -1.58, "spread": 0.1277}, "repeats_hs": {"runs": 3, "values": [-0.4721, -0.3377, -0.338], "mean": -0.3826, "spread": 0.1344}, "at": 1787007109}, "tier": 1, "relegate_reason": [], "submitted_at": 1787006913, "scored_at": 1787007109, "alerts": [], "rank": 503}, {"candidate_id": "ODC-18E23E", "res_at": 1788096858, "skeleton": "GFABMCINRHCVGO", "hf_user": "Ku-ku", "display_name": "KK-M-0830-193", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 66.334, "axes": {"activity": 26.82, "binding": 13.04, "selectivity": 12.54, "admet": 5.13, "novelty": 6.0, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 6.209, "fraction": 0.894}, "binding": {"pIC50": 6.96, "LE": 0.34, "potency_term": 0.652, "efficiency_cap": 1.0}, "selectivity": {"fold": 83.7, "selectivity_term": 0.961, "target_engagement": 0.652}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.852, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.613, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 6.208903432092064, "aff_pf": -0.9561646978060404, "aff_hs": 0.9665392438570658, "repeats_pf": {"runs": 3, "values": [-0.8607, -1.0216, -0.9862], "mean": -0.9562, "spread": 0.161}, "repeats_hs": {"runs": 3, "values": [0.9861, 0.9699, 0.9436], "mean": 0.9665, "spread": 0.0425}, "at": 1788096858}, "tier": 1, "alerts": [], "total_sd": 0.749, "total_ci95": [64.527, 67.594], "relegate_reason": [], "submitted_at": 1788092670, "scored_at": 1788096858, "rank": 504}, {"candidate_id": "ODC-F36F0B", "res_at": 1787081465, "skeleton": "RUJNNNUJUACRBD", "hf_user": "1Dmeds", "display_name": "ODC26-MB-03", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 66.28, "axes": {"activity": 23.98, "binding": 15.13, "selectivity": 13.29, "admet": 5.49, "novelty": 5.29, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 6.039, "fraction": 0.799}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.1, "selectivity_term": 0.878, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.384, "ld50-zhu": 0.49, "herg": 0.616, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.038724930621968, "aff_pf": -1.268945574760437, "aff_hs": 0.4880440930525462, "repeats_pf": {"runs": 3, "values": [-1.2465, -1.284, -1.2763], "mean": -1.2689, "spread": 0.0374}, "repeats_hs": {"runs": 3, "values": [0.5045, 0.5156, 0.444], "mean": 0.488, "spread": 0.0716}, "at": 1787081465}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069588, "scored_at": 1787081465, "alerts": [], "rank": 505}, {"candidate_id": "ODC-0C9378", "res_at": 1786947172, "skeleton": "RWKFKPUWKMBQGW", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.267, "axes": {"activity": 27.39, "binding": 15.25, "selectivity": 9.63, "admet": 4.21, "novelty": 6.05, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.243, "fraction": 0.913}, "binding": {"pIC50": 7.32, "LE": 0.295, "potency_term": 0.775, "efficiency_cap": 0.984}, "selectivity": {"fold": 17.5, "selectivity_term": 0.621, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.371, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 6.2434117130773465, "aff_pf": -1.324973702430725, "aff_hs": -0.082599937915802, "repeats_pf": {"runs": 3, "values": [-1.4492, -1.2215, -1.3042], "mean": -1.325, "spread": 0.2277}, "repeats_hs": {"runs": 3, "values": [-0.2581, -0.2634, 0.2738], "mean": -0.0826, "spread": 0.5372}, "at": 1786947172}, "tier": 1, "relegate_reason": [], "submitted_at": 1786936519, "scored_at": 1786947172, "alerts": [], "rank": 506}, {"candidate_id": "ODC-8C9B85", "res_at": 1789480421, "skeleton": "CFQBCROWWGZBHD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-B3-R5Oxazetidine-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 66.254, "axes": {"activity": 30.0, "binding": 13.78, "selectivity": 8.11, "admet": 3.6, "novelty": 7.3, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 6.77, "fraction": 1.0}, "binding": {"pIC50": 7.34, "LE": 0.265, "potency_term": 0.781, "efficiency_cap": 0.882}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 6.7702853598700825, "aff_pf": -1.3420260349909465, "aff_hs": -0.30323447783788043, "repeats_pf": {"runs": 3, "values": [-1.377, -1.3229, -1.3262], "mean": -1.342, "spread": 0.0541}, "repeats_hs": {"runs": 3, "values": [-0.2528, -0.3112, -0.3457], "mean": -0.3032, "spread": 0.0929}, "at": 1789480421}, "tier": 1, "alerts": [], "total_sd": 0.338, "total_ci95": [65.673, 67.016], "relegate_reason": [], "submitted_at": 1789479182, "scored_at": 1789480421, "rank": 507}, {"candidate_id": "ODC-35613F", "res_at": 1787407185, "skeleton": "ROQBTPHJCZUBJN", "hf_user": "takutoyo", "display_name": "PfD13-03", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.239, "axes": {"activity": 9.49, "binding": 19.54, "selectivity": 17.02, "admet": 11.66, "novelty": 5.13, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.169, "fraction": 0.316}, "binding": {"pIC50": 7.93, "LE": 0.494, "potency_term": 0.977, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.3, "selectivity_term": 0.871, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.796, "per_endpoint": {"solubility-aqsoldb": 0.627, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.934, "cyp3a4-substrate-carbonmangels": 0.855, "ld50-zhu": 0.543, "herg": 0.842, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.169283594387732, "aff_pf": -1.9305055141448975, "aff_hs": -0.18801623582839966, "repeats_pf": {"runs": 3, "values": [-1.9641, -1.9259, -1.9015], "mean": -1.9305, "spread": 0.0626}, "repeats_hs": {"runs": 3, "values": [-0.1342, -0.1501, -0.2797], "mean": -0.188, "spread": 0.1455}, "at": 1787407185}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787406656, "scored_at": 1787407185, "rank": 508}, {"candidate_id": "ODC-55376D", "res_at": 1788419156, "skeleton": "YTGREDIOXNNTMP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV55", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 66.227, "axes": {"activity": 29.79, "binding": 13.72, "selectivity": 9.78, "admet": 4.06, "novelty": 6.86, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 6.387, "fraction": 0.993}, "binding": {"pIC50": 7.24, "LE": 0.276, "potency_term": 0.747, "efficiency_cap": 0.918}, "selectivity": {"fold": 20.4, "selectivity_term": 0.654, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.333, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.354, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.814, "herg": 0.166, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 4.58}}, "run": {"gpu": "0", "pAct_q10": 6.387450286239211, "aff_pf": -1.2405745188395183, "aff_hs": 0.06828484684228897, "repeats_pf": {"runs": 3, "values": [-1.3159, -1.2402, -1.1656], "mean": -1.2406, "spread": 0.1504}, "repeats_hs": {"runs": 3, "values": [-0.0866, 0.1054, 0.1861], "mean": 0.0683, "spread": 0.2727}, "at": 1788419156}, "tier": 1, "alerts": [], "total_sd": 0.817, "total_ci95": [64.58, 67.746], "relegate_reason": [], "submitted_at": 1788359385, "scored_at": 1788419156, "rank": 509}, {"candidate_id": "ODC-FFBA9C", "res_at": 1786908775, "skeleton": "TYIPMADCKUFSPT", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cc(··········nc2n1", "total": 66.219, "axes": {"activity": 21.21, "binding": 16.39, "selectivity": 13.17, "admet": 6.52, "novelty": 5.34, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.873, "fraction": 0.707}, "binding": {"pIC50": 7.46, "LE": 0.426, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.5, "selectivity_term": 0.804, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.811, "ld50-zhu": 0.348, "herg": 0.537, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.872844556854409, "aff_pf": -1.4580307801564534, "aff_hs": 0.14908792078495026, "repeats_pf": {"runs": 3, "values": [-1.4404, -1.5514, -1.3823], "mean": -1.458, "spread": 0.1691}, "repeats_hs": {"runs": 3, "values": [0.1528, 0.181, 0.1134], "mean": 0.1491, "spread": 0.0676}, "at": 1786908775}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899439, "scored_at": 1786908775, "alerts": [], "rank": 510}, {"candidate_id": "ODC-ACA147", "res_at": 1788299317, "skeleton": "YODFRHBQLFJCQA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-D-long-cpa-u-C6-5hexynyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCCCN··········N)CC1", "total": 66.212, "axes": {"activity": 30.0, "binding": 14.59, "selectivity": 6.63, "admet": 3.92, "novelty": 7.42, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.597, "fraction": 1.0}, "binding": {"pIC50": 7.35, "LE": 0.28, "potency_term": 0.783, "efficiency_cap": 0.932}, "selectivity": {"fold": 7.0, "selectivity_term": 0.424, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.05, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.367, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.608, "herg": 0.052, "dili": 0.352}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 6.597131779760003, "aff_pf": -1.347594976425171, "aff_hs": -0.5001995166142782, "repeats_pf": {"runs": 3, "values": [-1.3825, -1.2952, -1.3652], "mean": -1.3476, "spread": 0.0873}, "repeats_hs": {"runs": 3, "values": [-0.4595, -0.5033, -0.5378], "mean": -0.5002, "spread": 0.0783}, "at": 1788299317}, "tier": 1, "alerts": [], "total_sd": 0.428, "total_ci95": [65.348, 66.972], "relegate_reason": [], "submitted_at": 1788271734, "scored_at": 1788299317, "rank": 511}, {"candidate_id": "ODC-FA341A", "res_at": 1788417983, "skeleton": "GFLQSWDVUFANRK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R3-14", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCC1C", "total": 66.191, "axes": {"activity": 26.41, "binding": 12.94, "selectivity": 13.36, "admet": 4.66, "novelty": 6.37, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 6.185, "fraction": 0.88}, "binding": {"pIC50": 7.23, "LE": 0.261, "potency_term": 0.744, "efficiency_cap": 0.869}, "selectivity": {"fold": 62.4, "selectivity_term": 0.898, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.51, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.428, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 4.05}}, "run": {"gpu": "3", "pAct_q10": 6.184737529745586, "aff_pf": -1.2329784631729126, "aff_hs": 0.5625516474246979, "repeats_pf": {"runs": 3, "values": [-1.4557, -1.1065, -1.1368], "mean": -1.233, "spread": 0.3492}, "repeats_hs": {"runs": 3, "values": [0.9296, 0.3817, 0.3763], "mean": 0.5626, "spread": 0.5534}, "at": 1788417983}, "tier": 1, "alerts": [], "total_sd": 2.034, "total_ci95": [62.513, 69.596], "relegate_reason": [], "submitted_at": 1788358238, "scored_at": 1788417983, "rank": 512}, {"candidate_id": "ODC-824F38", "res_at": 1787221902, "skeleton": "DPWRNKMDHFVBRT", "hf_user": "takutoyo", "display_name": "PfD9-B3", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 66.153, "axes": {"activity": 12.31, "binding": 20.0, "selectivity": 14.23, "admet": 10.53, "novelty": 5.31, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.339, "fraction": 0.41}, "binding": {"pIC50": 8.0, "LE": 0.498, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.5, "selectivity_term": 0.712, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.702, "per_endpoint": {"solubility-aqsoldb": 0.722, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.866, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.468, "herg": 1.0, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.3386481000915555, "aff_pf": -1.9994165102640789, "aff_hs": -0.5757768154144287, "repeats_pf": {"runs": 3, "values": [-1.9269, -2.07, -2.0013], "mean": -1.9994, "spread": 0.1431}, "repeats_hs": {"runs": 3, "values": [-0.3912, -0.7141, -0.6221], "mean": -0.5758, "spread": 0.3229}, "at": 1787221902}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218669, "scored_at": 1787221902, "rank": 513}, {"candidate_id": "ODC-5C5071", "res_at": 1786900160, "skeleton": "VGQLOFPZYHHUBQ", "hf_user": "choa712", "display_name": "LUCY-L7-02", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 66.079, "axes": {"activity": 21.99, "binding": 17.66, "selectivity": 11.44, "admet": 6.24, "novelty": 5.09, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 7.65, "LE": 0.456, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.648, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.216, "ld50-zhu": 0.405, "herg": 0.749, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.919136952364549, "aff_pf": -1.6496793826421101, "aff_hs": -0.35448648532231647, "repeats_pf": {"runs": 3, "values": [-1.6162, -1.6717, -1.6612], "mean": -1.6497, "spread": 0.0555}, "repeats_hs": {"runs": 3, "values": [-0.1697, -0.5382, -0.3556], "mean": -0.3545, "spread": 0.3685}, "at": 1786900160}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887259, "scored_at": 1786900160, "alerts": [], "rank": 514}, {"candidate_id": "ODC-0CF2D0", "res_at": 1788562718, "skeleton": "AQZZJDHTPBLSJY", "hf_user": "1Dmeds", "display_name": "ODC26-S1D15", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 66.04, "axes": {"activity": 20.71, "binding": 16.87, "selectivity": 15.55, "admet": 3.93, "novelty": 5.91, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.842, "fraction": 0.69}, "binding": {"pIC50": 7.67, "LE": 0.284, "potency_term": 0.891, "efficiency_cap": 0.947}, "selectivity": {"fold": 55.6, "selectivity_term": 0.873, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.152, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.055, "dili": 0.162}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.842302489747229, "aff_pf": -1.67253311475118, "aff_hs": 0.07269267241160075, "repeats_pf": {"runs": 3, "values": [-1.6787, -1.7002, -1.6387], "mean": -1.6725, "spread": 0.0616}, "repeats_hs": {"runs": 3, "values": [0.156, -0.1006, 0.1626], "mean": 0.0727, "spread": 0.2632}, "at": 1788562718}, "tier": 1, "alerts": [], "total_sd": 0.806, "total_ci95": [64.287, 67.42], "relegate_reason": [], "submitted_at": 1788555460, "scored_at": 1788562718, "rank": 515}, {"candidate_id": "ODC-4E0A0E", "res_at": 1787202401, "skeleton": "XYWGLNPBHGAPDI", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 66.02, "axes": {"activity": 20.29, "binding": 17.99, "selectivity": 12.91, "admet": 5.88, "novelty": 4.95, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 5.818, "fraction": 0.676}, "binding": {"pIC50": 7.7, "LE": 0.459, "potency_term": 0.9, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.2, "selectivity_term": 0.718, "target_engagement": 0.9}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.14, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.404, "herg": 0.806, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.817534516544332, "aff_pf": -1.6990554332733154, "aff_hs": -0.264029582341512, "repeats_pf": {"runs": 3, "values": [-1.6982, -1.7027, -1.6963], "mean": -1.6991, "spread": 0.0064}, "repeats_hs": {"runs": 3, "values": [-0.2289, -0.3119, -0.2513], "mean": -0.264, "spread": 0.083}, "at": 1787202401}, "tier": 1, "relegate_reason": [], "submitted_at": 1787199388, "scored_at": 1787202401, "alerts": [], "rank": 516}, {"candidate_id": "ODC-69520F", "res_at": 1787643220, "skeleton": "ZFDGXXGPUCXJGL", "hf_user": "1Dmeds", "display_name": "ODC26-A-S2-4", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 66.017, "axes": {"activity": 29.14, "binding": 13.33, "selectivity": 7.98, "admet": 4.8, "novelty": 6.97, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.348, "fraction": 0.971}, "binding": {"pIC50": 7.24, "LE": 0.268, "potency_term": 0.746, "efficiency_cap": 0.893}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.568, "herg": 0.188, "dili": 0.198}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.348459087835752, "aff_pf": -1.2378409306208293, "aff_hs": -0.16806429624557495, "repeats_pf": {"runs": 3, "values": [-1.1641, -1.3751, -1.1743], "mean": -1.2378, "spread": 0.211}, "repeats_hs": {"runs": 3, "values": [-0.0755, -0.2121, -0.2166], "mean": -0.1681, "spread": 0.1411}, "at": 1787643220}, "tier": 1, "relegate_reason": [], "submitted_at": 1787638762, "scored_at": 1787643220, "alerts": [], "rank": 517}, {"candidate_id": "ODC-0C76BE", "res_at": 1786922364, "skeleton": "AGCMFPUSYSWTDA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 66.004, "axes": {"activity": 26.42, "binding": 15.31, "selectivity": 10.6, "admet": 4.68, "novelty": 5.59, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 6.185, "fraction": 0.881}, "binding": {"pIC50": 7.3, "LE": 0.37, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.2, "selectivity_term": 0.692, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.526, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.1850014840444825, "aff_pf": -1.2967957655588787, "aff_hs": 0.08775552113850911, "repeats_pf": {"runs": 3, "values": [-1.2754, -1.2764, -1.3386], "mean": -1.2968, "spread": 0.0633}, "repeats_hs": {"runs": 3, "values": [0.1477, 0.125, -0.0094], "mean": 0.0878, "spread": 0.1571}, "at": 1786922364}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921433, "scored_at": 1786922364, "alerts": [], "rank": 518}, {"candidate_id": "ODC-C5D1C7", "res_at": 1789473423, "skeleton": "DBVUTLOVDGDCKE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AllylNMe2-4Ring-01", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········)CCC1", "total": 65.985, "axes": {"activity": 25.8, "binding": 13.1, "selectivity": 12.83, "admet": 4.78, "novelty": 6.17, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.148, "fraction": 0.86}, "binding": {"pIC50": 7.07, "LE": 0.285, "potency_term": 0.69, "efficiency_cap": 0.95}, "selectivity": {"fold": 72.3, "selectivity_term": 0.93, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.221, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.193, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.147827934767656, "aff_pf": -1.0697412490844727, "aff_hs": 0.789650579293569, "repeats_pf": {"runs": 3, "values": [-1.0739, -1.0604, -1.0749], "mean": -1.0697, "spread": 0.0145}, "repeats_hs": {"runs": 3, "values": [0.9598, 0.7915, 0.6177], "mean": 0.7897, "spread": 0.342}, "at": 1789473423}, "tier": 1, "alerts": [], "total_sd": 0.596, "total_ci95": [64.791, 66.888], "relegate_reason": [], "submitted_at": 1789472936, "scored_at": 1789473423, "rank": 519}, {"candidate_id": "ODC-22627C", "res_at": 1787462279, "skeleton": "NQXGWKWYVNCENV", "hf_user": "Ku-ku", "display_name": "KK-M-0823-23", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 65.965, "axes": {"activity": 24.65, "binding": 18.81, "selectivity": 7.99, "admet": 5.17, "novelty": 6.27, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 6.079, "fraction": 0.822}, "binding": {"pIC50": 7.82, "LE": 0.429, "potency_term": 0.941, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.425, "target_engagement": 0.941}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.451, "ld50-zhu": 0.413, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "3", "pAct_q10": 6.078923778987404, "aff_pf": -1.822039524714152, "aff_hs": -0.9725002646446228, "repeats_pf": {"runs": 3, "values": [-1.9018, -1.8175, -1.7468], "mean": -1.822, "spread": 0.1551}, "repeats_hs": {"runs": 3, "values": [-0.977, -0.9668, -0.9737], "mean": -0.9725, "spread": 0.0103}, "at": 1787462279}, "tier": 1, "relegate_reason": [], "submitted_at": 1787461566, "scored_at": 1787462279, "alerts": [], "rank": 520}, {"candidate_id": "ODC-082388", "res_at": 1789385726, "skeleton": "VOTFIOWWDNHDLX", "hf_user": "Ku-ku", "display_name": "KK-M-0914-936", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 65.962, "axes": {"activity": 16.78, "binding": 18.0, "selectivity": 14.29, "admet": 8.67, "novelty": 6.0, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 7.7, "LE": 0.44, "potency_term": 0.9, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.7, "selectivity_term": 0.794, "target_engagement": 0.9}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.533, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.506, "herg": 0.667, "dili": 0.163}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 4.27}}, "run": {"gpu": "0", "pAct_q10": 5.606834994068266, "aff_pf": -1.6996873617172241, "aff_hs": -0.11185383299986522, "repeats_pf": {"runs": 3, "values": [-1.6415, -1.7771, -1.6805], "mean": -1.6997, "spread": 0.1356}, "repeats_hs": {"runs": 3, "values": [-0.1268, -0.1541, -0.0547], "mean": -0.1119, "spread": 0.0994}, "at": 1789385726}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.912, "total_ci95": [64.446, 67.866], "relegate_reason": [], "submitted_at": 1789381690, "scored_at": 1789385726, "rank": 521}, {"candidate_id": "ODC-6233C9", "res_at": 1786879303, "skeleton": "RLZPYMZRRRRWMA", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 65.936, "axes": {"activity": 21.08, "binding": 18.65, "selectivity": 11.41, "admet": 6.39, "novelty": 4.16, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 7.8, "LE": 0.464, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.612, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 0.376, "herg": 0.802, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.8648888175213685, "aff_pf": -1.7974739869435628, "aff_hs": -0.5743083953857422, "repeats_pf": {"runs": 3, "values": [-1.8052, -1.756, -1.8312], "mean": -1.7975, "spread": 0.0752}, "repeats_hs": {"runs": 3, "values": [-0.5283, -0.535, -0.6597], "mean": -0.5743, "spread": 0.1314}, "at": 1786879303}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871145, "scored_at": 1786879303, "alerts": [], "rank": 522}, {"candidate_id": "ODC-5AD9BB", "res_at": 1786865893, "skeleton": "GWRGKMSWNZDSJQ", "hf_user": "choa712", "display_name": "LUCY-R3-04", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 65.897, "axes": {"activity": 23.04, "binding": 15.8, "selectivity": 11.87, "admet": 6.45, "novelty": 5.14, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.983, "fraction": 0.768}, "binding": {"pIC50": 7.37, "LE": 0.459, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.8, "selectivity_term": 0.751, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.503, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.357, "herg": 0.713, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.982596515691899, "aff_pf": -1.3701045513153076, "aff_hs": 0.1320385883251826, "repeats_pf": {"runs": 3, "values": [-1.3545, -1.3935, -1.3623], "mean": -1.3701, "spread": 0.0391}, "repeats_hs": {"runs": 3, "values": [0.2699, 0.007, 0.1193], "mean": 0.132, "spread": 0.2629}, "at": 1786865893}, "tier": 1, "relegate_reason": [], "submitted_at": 1786858562, "scored_at": 1786865893, "alerts": [], "rank": 523}, {"candidate_id": "ODC-6CF7F5", "res_at": 1789212816, "skeleton": "OBWOJXQNSDDADE", "hf_user": "Ku-ku", "display_name": "KK-M-0912-768", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 65.896, "axes": {"activity": 17.21, "binding": 17.65, "selectivity": 13.4, "admet": 9.06, "novelty": 5.84, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.632, "fraction": 0.574}, "binding": {"pIC50": 7.65, "LE": 0.419, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.0, "selectivity_term": 0.759, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.685, "per_endpoint": {"solubility-aqsoldb": 0.573, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.729, "cyp3a4-substrate-carbonmangels": 0.882, "ld50-zhu": 0.574, "herg": 0.766, "dili": 0.17}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "0", "pAct_q10": 5.632319522586184, "aff_pf": -1.6476733287175496, "aff_hs": -0.12964200476805368, "repeats_pf": {"runs": 3, "values": [-1.683, -1.6317, -1.6282], "mean": -1.6477, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [-0.1172, -0.1943, -0.0774], "mean": -0.1296, "spread": 0.117}, "at": 1789212816}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.444, "total_ci95": [65.142, 66.858], "relegate_reason": [], "submitted_at": 1789179628, "scored_at": 1789212816, "rank": 524}, {"candidate_id": "ODC-E7BFC1", "res_at": 1787411291, "skeleton": "XBEGBYIJZTZNEG", "hf_user": "takutoyo", "display_name": "PfD14-01", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 65.886, "axes": {"activity": 14.07, "binding": 19.01, "selectivity": 13.22, "admet": 11.03, "novelty": 5.09, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 7.85, "LE": 0.468, "potency_term": 0.95, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.6, "selectivity_term": 0.696, "target_engagement": 0.95}, "admet": {"geometric_mean": 0.774, "per_endpoint": {"solubility-aqsoldb": 0.647, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.689, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.443, "herg": 1.0, "dili": 0.741}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.44439579643333, "aff_pf": -1.8510706027348836, "aff_hs": -0.4600604275862376, "repeats_pf": {"runs": 3, "values": [-1.8251, -1.9001, -1.828], "mean": -1.8511, "spread": 0.075}, "repeats_hs": {"runs": 3, "values": [-0.6604, -0.2859, -0.4338], "mean": -0.4601, "spread": 0.3745}, "at": 1787411291}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787407898, "scored_at": 1787411291, "rank": 525}, {"candidate_id": "ODC-E10230", "res_at": 1789915573, "skeleton": "GLBWACJLLBAGRY", "hf_user": "Ku-ku", "display_name": "KK-M-0920-450", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 65.831, "axes": {"activity": 24.28, "binding": 16.19, "selectivity": 12.76, "admet": 3.98, "novelty": 5.54, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 6.057, "fraction": 0.809}, "binding": {"pIC50": 7.43, "LE": 0.391, "potency_term": 0.809, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.8, "selectivity_term": 0.788, "target_engagement": 0.809}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.683, "ld50-zhu": 0.505, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "2", "pAct_q10": 6.056576965687959, "aff_pf": -1.4279786348342896, "aff_hs": 0.14897011717160544, "repeats_pf": {"runs": 3, "values": [-1.398, -1.4688, -1.4172], "mean": -1.428, "spread": 0.0707}, "repeats_hs": {"runs": 3, "values": [0.0761, 0.2476, 0.1233], "mean": 0.149, "spread": 0.1716}, "at": 1789915573}, "tier": 1, "alerts": [], "total_sd": 0.536, "total_ci95": [65.027, 66.895], "relegate_reason": [], "submitted_at": 1789885823, "scored_at": 1789915573, "rank": 526}, {"candidate_id": "ODC-BE2960", "res_at": 1787192609, "skeleton": "GKYLTIFVSAYGMJ", "hf_user": "Ku-ku", "display_name": "P1_ethynyl_SCHF2_4I", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.825, "axes": {"activity": 21.69, "binding": 17.06, "selectivity": 12.9, "admet": 5.84, "novelty": 4.92, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.901, "fraction": 0.723}, "binding": {"pIC50": 7.56, "LE": 0.45, "potency_term": 0.853, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.5, "selectivity_term": 0.756, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.176, "ld50-zhu": 0.423, "herg": 0.582, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.901249338723124, "aff_pf": -1.5593740145365398, "aff_hs": -0.047589621196190514, "repeats_pf": {"runs": 3, "values": [-1.5798, -1.4971, -1.6012], "mean": -1.5594, "spread": 0.1042}, "repeats_hs": {"runs": 3, "values": [-0.0216, -0.0798, -0.0413], "mean": -0.0476, "spread": 0.0582}, "at": 1787192609}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190267, "scored_at": 1787192609, "alerts": [], "rank": 527}, {"candidate_id": "ODC-8FCFB0", "res_at": 1787046566, "skeleton": "FDFOIBQKDAYFGX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 65.811, "axes": {"activity": 11.71, "binding": 19.59, "selectivity": 19.45, "admet": 6.18, "novelty": 4.63, "synthesis": 4.25}, "detail": {"activity": {"pAct_q10": 5.303, "fraction": 0.39}, "binding": {"pIC50": 7.94, "LE": 0.494, "potency_term": 0.979, "efficiency_cap": 1.0}, "selectivity": {"fold": 96.7, "selectivity_term": 0.993, "target_engagement": 0.979}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.715, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.52, "herg": 0.33, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.3027076369053425, "aff_pf": -1.938498616218567, "aff_hs": 0.046820888916651406, "repeats_pf": {"runs": 3, "values": [-1.9608, -1.9354, -1.9193], "mean": -1.9385, "spread": 0.0415}, "repeats_hs": {"runs": 3, "values": [0.0403, 0.0029, 0.0972], "mean": 0.0468, "spread": 0.0943}, "at": 1787046566}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039535, "scored_at": 1787046566, "alerts": [], "rank": 528}, {"candidate_id": "ODC-0FCF1E", "res_at": 1786842860, "skeleton": "BQFQLLFREZJSLJ", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 65.775, "axes": {"activity": 15.07, "binding": 19.01, "selectivity": 19.01, "admet": 5.48, "novelty": 2.57, "synthesis": 4.62}, "detail": {"activity": {"pAct_q10": 5.504, "fraction": 0.502}, "binding": {"pIC50": 7.85, "LE": 0.512, "potency_term": 0.951, "efficiency_cap": 1.0}, "selectivity": {"fold": 213.8, "selectivity_term": 1.0, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.059, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.324, "herg": 0.338, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "1", "pAct_q10": 5.504136465342868, "aff_pf": -1.8522090514500935, "aff_hs": 0.47782065471013385, "repeats_pf": {"runs": 3, "values": [-1.8661, -1.8201, -1.8705], "mean": -1.8522, "spread": 0.0504}, "repeats_hs": {"runs": 3, "values": [0.3854, 0.5199, 0.5282], "mean": 0.4778, "spread": 0.1428}, "at": 1786842860}, "tier": 1, "relegate_reason": [], "submitted_at": 1786810954, "scored_at": 1786842860, "alerts": [], "rank": 529}, {"candidate_id": "ODC-2BC59B", "res_at": 1788228436, "skeleton": "JDJQTRZHOWGQIS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y06", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 65.742, "axes": {"activity": 27.22, "binding": 14.89, "selectivity": 8.99, "admet": 4.37, "novelty": 6.6, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 6.233, "fraction": 0.907}, "binding": {"pIC50": 7.43, "LE": 0.275, "potency_term": 0.812, "efficiency_cap": 0.918}, "selectivity": {"fold": 12.8, "selectivity_term": 0.554, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.488, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.617, "herg": 0.061, "dili": 0.206}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.233387449265827, "aff_pf": -1.434612472852071, "aff_hs": -0.3263476987679799, "repeats_pf": {"runs": 3, "values": [-1.4838, -1.6083, -1.2117], "mean": -1.4346, "spread": 0.3966}, "repeats_hs": {"runs": 3, "values": [-0.2958, -0.3732, -0.31], "mean": -0.3263, "spread": 0.0774}, "at": 1788228436}, "tier": 1, "alerts": [], "total_sd": 1.998, "total_ci95": [61.471, 69.329], "relegate_reason": [], "submitted_at": 1788165810, "scored_at": 1788228436, "rank": 530}, {"candidate_id": "ODC-42A52B", "res_at": 1786883963, "skeleton": "UBBRZSKKZUWACF", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 65.732, "axes": {"activity": 21.25, "binding": 17.48, "selectivity": 11.04, "admet": 6.65, "novelty": 5.65, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.875, "fraction": 0.708}, "binding": {"pIC50": 7.62, "LE": 0.435, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.3, "selectivity_term": 0.632, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.32, "cyp3a4-substrate-carbonmangels": 0.581, "ld50-zhu": 0.462, "herg": 0.542, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.874983394479156, "aff_pf": -1.6212976376215618, "aff_hs": -0.35821908712387085, "repeats_pf": {"runs": 3, "values": [-1.6122, -1.5815, -1.6702], "mean": -1.6213, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [-0.3551, -0.3274, -0.3921], "mean": -0.3582, "spread": 0.0648}, "at": 1786883963}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877165, "scored_at": 1786883963, "alerts": [], "rank": 531}, {"candidate_id": "ODC-AFC94F", "res_at": 1786891650, "skeleton": "MPMBATKPVSKLTJ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 65.731, "axes": {"activity": 19.56, "binding": 17.75, "selectivity": 15.63, "admet": 4.17, "novelty": 4.58, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.774, "fraction": 0.652}, "binding": {"pIC50": 7.66, "LE": 0.362, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.7, "selectivity_term": 0.881, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.63, "herg": 0.05, "dili": 0.549}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.77358869159509, "aff_pf": -1.6621028582255046, "aff_hs": 0.09899066388607025, "repeats_pf": {"runs": 3, "values": [-1.667, -1.7921, -1.5272], "mean": -1.6621, "spread": 0.2649}, "repeats_hs": {"runs": 3, "values": [0.1072, 0.042, 0.1478], "mean": 0.099, "spread": 0.1058}, "at": 1786891650}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884205, "scored_at": 1786891650, "alerts": [], "rank": 532}, {"candidate_id": "ODC-115854", "res_at": 1786932902, "skeleton": "YROMZRARLVUUGT", "hf_user": "choa712", "display_name": "LUCY-P08", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 65.73, "axes": {"activity": 21.79, "binding": 15.52, "selectivity": 15.52, "admet": 4.76, "novelty": 5.1, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.907, "fraction": 0.726}, "binding": {"pIC50": 7.33, "LE": 0.418, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 121.1, "selectivity_term": 1.0, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.46, "ld50-zhu": 0.459, "herg": 0.608, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.907463662881858, "aff_pf": -1.3286121686299641, "aff_hs": 0.754498561223348, "repeats_pf": {"runs": 3, "values": [-1.3138, -1.4353, -1.2367], "mean": -1.3286, "spread": 0.1985}, "repeats_hs": {"runs": 3, "values": [0.8976, 0.6468, 0.7191], "mean": 0.7545, "spread": 0.2508}, "at": 1786932902}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925558, "scored_at": 1786932902, "alerts": [], "rank": 533}, {"candidate_id": "ODC-6D9408", "res_at": 1787245228, "skeleton": "ACLVIIHLCYIHHU", "hf_user": "1Dmeds", "display_name": "ODC26-R15-15", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.693, "axes": {"activity": 22.44, "binding": 18.41, "selectivity": 9.32, "admet": 6.23, "novelty": 5.61, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 7.76, "LE": 0.443, "potency_term": 0.921, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.281, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.431, "herg": 0.612, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.946505307288053, "aff_pf": -1.7619458834330242, "aff_hs": -0.7492311596870422, "repeats_pf": {"runs": 3, "values": [-1.5739, -1.8974, -1.8145], "mean": -1.7619, "spread": 0.3235}, "repeats_hs": {"runs": 3, "values": [-0.7863, -0.8177, -0.6437], "mean": -0.7492, "spread": 0.1739}, "at": 1787245228}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238579, "scored_at": 1787245228, "alerts": [], "rank": 534}, {"candidate_id": "ODC-43CF5D", "res_at": 1787654024, "skeleton": "AJZCXSLCMUJNFN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 65.577, "axes": {"activity": 30.0, "binding": 13.03, "selectivity": 4.33, "admet": 9.17, "novelty": 7.44, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 6.483, "fraction": 1.0}, "binding": {"pIC50": 6.97, "LE": 0.298, "potency_term": 0.655, "efficiency_cap": 0.994}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.611, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 0.933, "pgp-broccatelli": 0.852, "cyp2c9-veith": 0.996, "cyp3a4-substrate-carbonmangels": 0.188, "ld50-zhu": 0.961, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 4.87}}, "run": {"gpu": "3", "pAct_q10": 6.483223952237126, "aff_pf": -0.9661328395207723, "aff_hs": -0.30611281593640643, "repeats_pf": {"runs": 3, "values": [-0.9283, -0.9627, -1.0074], "mean": -0.9661, "spread": 0.0792}, "repeats_hs": {"runs": 3, "values": [-0.4228, -0.2031, -0.2924], "mean": -0.3061, "spread": 0.2198}, "at": 1787654024}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648071, "scored_at": 1787654024, "alerts": [], "rank": 535}, {"candidate_id": "ODC-DF104C", "res_at": 1788470687, "skeleton": "NXJRBVMMBNWKHK", "hf_user": "Ku-ku", "display_name": "KK-M-0903-673", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCC2F", "total": 65.572, "axes": {"activity": 26.06, "binding": 16.83, "selectivity": 9.76, "admet": 3.87, "novelty": 6.46, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 6.164, "fraction": 0.869}, "binding": {"pIC50": 7.53, "LE": 0.382, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.4, "selectivity_term": 0.58, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.195, "ld50-zhu": 0.477, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.91}}, "run": {"gpu": "0", "pAct_q10": 6.163550634385064, "aff_pf": -1.5251681804656982, "aff_hs": -0.3657956024010976, "repeats_pf": {"runs": 3, "values": [-1.4957, -1.524, -1.5559], "mean": -1.5252, "spread": 0.0602}, "repeats_hs": {"runs": 3, "values": [-0.3318, -0.353, -0.4126], "mean": -0.3658, "spread": 0.0808}, "at": 1788470687}, "tier": 1, "alerts": [], "total_sd": 0.329, "total_ci95": [64.969, 66.158], "relegate_reason": [], "submitted_at": 1788407823, "scored_at": 1788470687, "rank": 536}, {"candidate_id": "ODC-E19D68", "res_at": 1788079515, "skeleton": "OGCAVCKLBHLGPV", "hf_user": "Ku-ku", "display_name": "KK-M-0830-982", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 65.513, "axes": {"activity": 25.12, "binding": 18.17, "selectivity": 7.44, "admet": 4.92, "novelty": 6.36, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 7.73, "LE": 0.423, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.409, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.716, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.578, "ld50-zhu": 0.551, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.107121189494825, "aff_pf": -1.725550889968872, "aff_hs": -0.9070897102355957, "repeats_pf": {"runs": 3, "values": [-1.8029, -1.7283, -1.6454], "mean": -1.7256, "spread": 0.1575}, "repeats_hs": {"runs": 3, "values": [-0.9775, -0.8003, -0.9435], "mean": -0.9071, "spread": 0.1772}, "at": 1788079515}, "tier": 1, "alerts": [], "total_sd": 0.974, "total_ci95": [63.741, 67.324], "relegate_reason": [], "submitted_at": 1788038815, "scored_at": 1788079515, "rank": 537}, {"candidate_id": "ODC-73A72C", "res_at": 1786932203, "skeleton": "YQUXBBPLURBJKY", "hf_user": "choa712", "display_name": "LUCY-P09", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 65.473, "axes": {"activity": 23.46, "binding": 14.41, "selectivity": 14.41, "admet": 5.16, "novelty": 4.81, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 6.008, "fraction": 0.782}, "binding": {"pIC50": 7.16, "LE": 0.409, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 127.8, "selectivity_term": 1.0, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.437, "herg": 0.689, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.007852820826339, "aff_pf": -1.1611926952997844, "aff_hs": 0.945439338684082, "repeats_pf": {"runs": 3, "values": [-1.0714, -1.1506, -1.2616], "mean": -1.1612, "spread": 0.1903}, "repeats_hs": {"runs": 3, "values": [1.008, 0.7925, 1.0359], "mean": 0.9454, "spread": 0.2434}, "at": 1786932203}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925593, "scored_at": 1786932203, "alerts": [], "rank": 538}, {"candidate_id": "ODC-67BF7A", "res_at": 1788339356, "skeleton": "SSNPVZYAJPLIFD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FW-07-desF-pyrrolidine", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 65.458, "axes": {"activity": 30.0, "binding": 11.45, "selectivity": 9.31, "admet": 3.8, "novelty": 6.67, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 6.564, "fraction": 1.0}, "binding": {"pIC50": 7.03, "LE": 0.254, "potency_term": 0.677, "efficiency_cap": 0.845}, "selectivity": {"fold": 23.7, "selectivity_term": 0.687, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.556, "herg": 0.05, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 6.564223477705551, "aff_pf": -1.031881034374237, "aff_hs": 0.34222346544265747, "repeats_pf": {"runs": 3, "values": [-1.2103, -0.7674, -1.1179], "mean": -1.0319, "spread": 0.4429}, "repeats_hs": {"runs": 3, "values": [0.498, 0.1935, 0.3352], "mean": 0.3422, "spread": 0.3046}, "at": 1788339356}, "tier": 1, "alerts": [], "total_sd": 2.104, "total_ci95": [61.144, 69.034], "relegate_reason": [], "submitted_at": 1788337033, "scored_at": 1788339356, "rank": 539}, {"candidate_id": "ODC-CCD4E8", "res_at": 1786863224, "skeleton": "GEUXKMAKXSRCFP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 65.446, "axes": {"activity": 13.6, "binding": 18.96, "selectivity": 17.28, "admet": 6.92, "novelty": 4.49, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.453}, "binding": {"pIC50": 7.84, "LE": 0.488, "potency_term": 0.948, "efficiency_cap": 1.0}, "selectivity": {"fold": 66.5, "selectivity_term": 0.912, "target_engagement": 0.948}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.196, "ld50-zhu": 0.605, "herg": 0.677, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.416163596481453, "aff_pf": -1.8440751632054646, "aff_hs": -0.020934060215950012, "repeats_pf": {"runs": 3, "values": [-1.8287, -1.8685, -1.835], "mean": -1.8441, "spread": 0.0399}, "repeats_hs": {"runs": 3, "values": [-0.0384, -0.1284, 0.104], "mean": -0.0209, "spread": 0.2324}, "at": 1786863224}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855957, "scored_at": 1786863224, "alerts": [], "rank": 540}, {"candidate_id": "ODC-39C28D", "res_at": 1787967380, "skeleton": "UJKLOXVAZKVUEB", "hf_user": "Ku-ku", "display_name": "KK-M-0829-259", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 65.426, "axes": {"activity": 30.0, "binding": 16.56, "selectivity": 3.83, "admet": 4.07, "novelty": 7.05, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 6.424, "fraction": 1.0}, "binding": {"pIC50": 7.48, "LE": 0.366, "potency_term": 0.828, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.117, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.762, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.4241065098885155, "aff_pf": -1.4841139713923137, "aff_hs": -1.021560509999593, "repeats_pf": {"runs": 3, "values": [-1.4835, -1.4893, -1.4796], "mean": -1.4841, "spread": 0.0097}, "repeats_hs": {"runs": 3, "values": [-1.02, -1.0054, -1.0393], "mean": -1.0216, "spread": 0.0339}, "at": 1787967380}, "tier": 1, "relegate_reason": [], "submitted_at": 1787964473, "scored_at": 1787967380, "alerts": [], "rank": 541}, {"candidate_id": "ODC-8F223E", "res_at": 1786932656, "skeleton": "GWRBLWWJTXKGQE", "hf_user": "choa712", "display_name": "LUCY-P05", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Cl", "total": 65.423, "axes": {"activity": 22.02, "binding": 16.31, "selectivity": 14.03, "admet": 5.61, "novelty": 3.94, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.921, "fraction": 0.734}, "binding": {"pIC50": 7.45, "LE": 0.425, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.5, "selectivity_term": 0.86, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.337, "herg": 0.922, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.921303584332205, "aff_pf": -1.4468727509180705, "aff_hs": 0.2733912914991379, "repeats_pf": {"runs": 3, "values": [-1.4865, -1.4584, -1.3957], "mean": -1.4469, "spread": 0.0909}, "repeats_hs": {"runs": 3, "values": [0.4943, 0.1884, 0.1374], "mean": 0.2734, "spread": 0.3569}, "at": 1786932656}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925546, "scored_at": 1786932656, "alerts": [], "rank": 542}, {"candidate_id": "ODC-0DC32E", "res_at": 1786915114, "skeleton": "FUPNACXUUWULBY", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 65.401, "axes": {"activity": 19.87, "binding": 16.92, "selectivity": 14.63, "admet": 6.31, "novelty": 3.69, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.792, "fraction": 0.662}, "binding": {"pIC50": 7.54, "LE": 0.449, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.6, "selectivity_term": 0.865, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.422, "cyp3a4-substrate-carbonmangels": 0.414, "ld50-zhu": 0.223, "herg": 0.86, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.792339745384991, "aff_pf": -1.538152853647868, "aff_hs": 0.19102153182029724, "repeats_pf": {"runs": 3, "values": [-1.4359, -1.5918, -1.5868], "mean": -1.5382, "spread": 0.1559}, "repeats_hs": {"runs": 3, "values": [0.298, 0.2564, 0.0187], "mean": 0.191, "spread": 0.2793}, "at": 1786915114}, "tier": 1, "relegate_reason": [], "submitted_at": 1786914932, "scored_at": 1786915114, "alerts": [], "rank": 543}, {"candidate_id": "ODC-6B1110", "res_at": 1788420519, "skeleton": "TZFZSFRKKPRSCK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV52", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 65.39, "axes": {"activity": 30.0, "binding": 12.69, "selectivity": 8.67, "admet": 4.81, "novelty": 7.18, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 6.451, "fraction": 1.0}, "binding": {"pIC50": 7.11, "LE": 0.271, "potency_term": 0.704, "efficiency_cap": 0.902}, "selectivity": {"fold": 17.1, "selectivity_term": 0.616, "target_engagement": 0.704}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.452, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.929, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 4.57}}, "run": {"gpu": "0", "pAct_q10": 6.450601446668274, "aff_pf": -1.1107571125030518, "aff_hs": 0.12165673325459163, "repeats_pf": {"runs": 3, "values": [-1.1744, -1.0857, -1.0722], "mean": -1.1108, "spread": 0.1022}, "repeats_hs": {"runs": 3, "values": [0.1804, -0.0201, 0.2047], "mean": 0.1217, "spread": 0.2248}, "at": 1788420519}, "tier": 1, "alerts": [], "total_sd": 0.667, "total_ci95": [64.148, 66.671], "relegate_reason": [], "submitted_at": 1788359390, "scored_at": 1788420519, "rank": 544}, {"candidate_id": "ODC-3BE9B6", "res_at": 1788232779, "skeleton": "BHWMXFVDTSNJOR", "hf_user": "Ku-ku", "display_name": "KK-M-0831-760", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 65.364, "axes": {"activity": 14.53, "binding": 19.2, "selectivity": 11.14, "admet": 10.95, "novelty": 6.15, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.472, "fraction": 0.484}, "binding": {"pIC50": 7.88, "LE": 0.469, "potency_term": 0.96, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.58, "target_engagement": 0.96}, "admet": {"geometric_mean": 0.761, "per_endpoint": {"solubility-aqsoldb": 0.895, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.865, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.435, "herg": 1.0, "dili": 0.374}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "3", "pAct_q10": 5.471966443454021, "aff_pf": -1.8797603845596313, "aff_hs": -0.7193590203921, "repeats_pf": {"runs": 3, "values": [-1.8682, -1.8638, -1.9073], "mean": -1.8798, "spread": 0.0435}, "repeats_hs": {"runs": 3, "values": [-0.721, -0.7545, -0.6825], "mean": -0.7194, "spread": 0.072}, "at": 1788232779}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.361, "total_ci95": [64.741, 66.117], "relegate_reason": [], "submitted_at": 1788187060, "scored_at": 1788232779, "rank": 545}, {"candidate_id": "ODC-D6C791", "res_at": 1787580315, "skeleton": "VWMPRGFNXNBDRI", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4A", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 65.348, "axes": {"activity": 26.12, "binding": 13.81, "selectivity": 10.31, "admet": 5.8, "novelty": 5.72, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 6.167, "fraction": 0.871}, "binding": {"pIC50": 7.07, "LE": 0.359, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.1, "selectivity_term": 0.746, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.592, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.978, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 0.527, "ld50-zhu": 0.458, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.167468023837761, "aff_pf": -1.0717270374298096, "aff_hs": 0.420512596766154, "repeats_pf": {"runs": 3, "values": [-1.1391, -0.9661, -1.11], "mean": -1.0717, "spread": 0.173}, "repeats_hs": {"runs": 3, "values": [0.4609, 0.3565, 0.4441], "mean": 0.4205, "spread": 0.1044}, "at": 1787580315}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578593, "scored_at": 1787580315, "alerts": [], "rank": 546}, {"candidate_id": "ODC-CBE32E", "res_at": 1787723409, "skeleton": "LIIPFJAGQJXWFK", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R1", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc2c··········)CCC2", "total": 65.342, "axes": {"activity": 26.44, "binding": 15.66, "selectivity": 8.29, "admet": 5.19, "novelty": 6.01, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.187, "fraction": 0.881}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.529, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.118, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.495, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 6.186549849521067, "aff_pf": -1.3492233355840046, "aff_hs": -0.2905508304635684, "repeats_pf": {"runs": 3, "values": [-1.2855, -1.383, -1.3792], "mean": -1.3492, "spread": 0.0975}, "repeats_hs": {"runs": 3, "values": [-0.6197, -0.1371, -0.1149], "mean": -0.2906, "spread": 0.5048}, "at": 1787723409}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719771, "scored_at": 1787723409, "alerts": [], "rank": 547}, {"candidate_id": "ODC-0331F1", "res_at": 1788579419, "skeleton": "LIKXKJWHPIFTKG", "hf_user": "Bio-JS", "display_name": "0905-S1-18 MeCF2/F/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 65.326, "axes": {"activity": 14.4, "binding": 19.17, "selectivity": 17.14, "admet": 6.49, "novelty": 3.97, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 7.88, "LE": 0.469, "potency_term": 0.958, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.5, "selectivity_term": 0.894, "target_engagement": 0.958}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.35, "herg": 0.773, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.463974243590007, "aff_pf": -1.8751245737075806, "aff_hs": -0.086207315325737, "repeats_pf": {"runs": 3, "values": [-1.8579, -1.8865, -1.881], "mean": -1.8751, "spread": 0.0286}, "repeats_hs": {"runs": 3, "values": [-0.0249, -0.0989, -0.1348], "mean": -0.0862, "spread": 0.1098}, "at": 1788579419}, "tier": 1, "alerts": [], "total_sd": 0.297, "total_ci95": [64.717, 65.914], "relegate_reason": [], "submitted_at": 1788560268, "scored_at": 1788579419, "rank": 548}, {"candidate_id": "ODC-5F119A", "res_at": 1788299605, "skeleton": "CVWPJNYPZLPPQS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-B-H2-cpa-g-C6-33diMe", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)CC1", "total": 65.31, "axes": {"activity": 30.0, "binding": 15.07, "selectivity": 4.49, "admet": 4.81, "novelty": 7.17, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.457, "fraction": 1.0}, "binding": {"pIC50": 7.46, "LE": 0.276, "potency_term": 0.819, "efficiency_cap": 0.92}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.327, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.143, "dili": 0.318}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 6.456759866461961, "aff_pf": -1.4566950003306072, "aff_hs": -0.9083594083786011, "repeats_pf": {"runs": 3, "values": [-1.3618, -1.5737, -1.4346], "mean": -1.4567, "spread": 0.2119}, "repeats_hs": {"runs": 3, "values": [-0.963, -1.0746, -0.6875], "mean": -0.9084, "spread": 0.3872}, "at": 1788299605}, "tier": 1, "alerts": [], "total_sd": 1.193, "total_ci95": [63.02, 68.004], "relegate_reason": [], "submitted_at": 1788271666, "scored_at": 1788299605, "rank": 549}, {"candidate_id": "ODC-721875", "res_at": 1787717457, "skeleton": "YGRMNWACFHPFFU", "hf_user": "Ku-ku", "display_name": "KK-M-0826-T1", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCCC2", "total": 65.295, "axes": {"activity": 25.35, "binding": 18.67, "selectivity": 6.06, "admet": 5.14, "novelty": 6.13, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.121, "fraction": 0.845}, "binding": {"pIC50": 7.8, "LE": 0.411, "potency_term": 0.934, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.798, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 6.1210330272354, "aff_pf": -1.8007968266805012, "aff_hs": -1.1516435543696086, "repeats_pf": {"runs": 3, "values": [-1.6981, -1.9344, -1.7699], "mean": -1.8008, "spread": 0.2363}, "repeats_hs": {"runs": 3, "values": [-1.1237, -1.1772, -1.154], "mean": -1.1516, "spread": 0.0536}, "at": 1787717457}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717231, "scored_at": 1787717457, "alerts": [], "rank": 550}, {"candidate_id": "ODC-B118CA", "res_at": 1787184258, "skeleton": "OSSGXWJWKIBKIJ", "hf_user": "Ku-ku", "display_name": "C1_ethynyl_SCHF2_CF3F", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.292, "axes": {"activity": 26.24, "binding": 15.88, "selectivity": 8.59, "admet": 5.69, "novelty": 5.43, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.174, "fraction": 0.875}, "binding": {"pIC50": 7.38, "LE": 0.375, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.537, "herg": 0.215, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.174495550836964, "aff_pf": -1.3817544380823772, "aff_hs": -0.2991839150587718, "repeats_pf": {"runs": 3, "values": [-1.4056, -1.37, -1.3697], "mean": -1.3818, "spread": 0.0358}, "repeats_hs": {"runs": 3, "values": [-0.4037, -0.2627, -0.2312], "mean": -0.2992, "spread": 0.1725}, "at": 1787184258}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184025, "scored_at": 1787184258, "alerts": [], "rank": 551}, {"candidate_id": "ODC-55ABFA", "res_at": 1786939604, "skeleton": "VSIRWXWUJWWERI", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 65.247, "axes": {"activity": 16.48, "binding": 17.75, "selectivity": 15.23, "admet": 6.51, "novelty": 5.78, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.589, "fraction": 0.549}, "binding": {"pIC50": 7.66, "LE": 0.437, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.1, "selectivity_term": 0.858, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.583, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.587, "herg": 0.603, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.588868817654683, "aff_pf": -1.662038803100586, "aff_hs": 0.05448727682232857, "repeats_pf": {"runs": 3, "values": [-1.6829, -1.7224, -1.5808], "mean": -1.662, "spread": 0.1415}, "repeats_hs": {"runs": 3, "values": [0.0889, -0.0019, 0.0765], "mean": 0.0545, "spread": 0.0909}, "at": 1786939604}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933611, "scored_at": 1786939604, "alerts": [], "rank": 552}, {"candidate_id": "ODC-92D702", "res_at": 1789620218, "skeleton": "VCYVPCLOBMIRNO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 65.21, "axes": {"activity": 28.34, "binding": 17.6, "selectivity": 4.62, "admet": 5.7, "novelty": 5.03, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.3, "fraction": 0.945}, "binding": {"pIC50": 7.64, "LE": 0.403, "potency_term": 0.88, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.248, "ld50-zhu": 0.718, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 6.30036179933505, "aff_pf": -1.639868179957072, "aff_hs": -1.1151318947474163, "repeats_pf": {"runs": 3, "values": [-1.5683, -1.7503, -1.601], "mean": -1.6399, "spread": 0.1819}, "repeats_hs": {"runs": 3, "values": [-1.1716, -1.1045, -1.0692], "mean": -1.1151, "spread": 0.1024}, "at": 1789620218}, "tier": 1, "alerts": [], "total_sd": 0.821, "total_ci95": [63.986, 67.044], "relegate_reason": [], "submitted_at": 1789618787, "scored_at": 1789620218, "rank": 553}, {"candidate_id": "ODC-0D28E3", "res_at": 1787050515, "skeleton": "NBIVHDCEVLUXBY", "hf_user": "takutoyo", "display_name": "PfD6-A5", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.208, "axes": {"activity": 21.47, "binding": 16.67, "selectivity": 13.4, "admet": 5.17, "novelty": 5.29, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.888, "fraction": 0.716}, "binding": {"pIC50": 7.5, "LE": 0.428, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.6, "selectivity_term": 0.804, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.841, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.428, "herg": 0.629, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "2", "pAct_q10": 5.888028184187718, "aff_pf": -1.4997872908910115, "aff_hs": 0.108597365518411, "repeats_pf": {"runs": 3, "values": [-1.4475, -1.5603, -1.4915], "mean": -1.4998, "spread": 0.1128}, "repeats_hs": {"runs": 3, "values": [0.1821, 0.0764, 0.0673], "mean": 0.1086, "spread": 0.1148}, "at": 1787050515}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047010, "scored_at": 1787050515, "alerts": [], "rank": 554}, {"candidate_id": "ODC-AA62DE", "res_at": 1787081274, "skeleton": "AZOVYBQWJNHWNV", "hf_user": "1Dmeds", "display_name": "ODC26-MB-01", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 65.189, "axes": {"activity": 25.39, "binding": 13.8, "selectivity": 10.73, "admet": 6.57, "novelty": 5.42, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 6.124, "fraction": 0.846}, "binding": {"pIC50": 7.07, "LE": 0.387, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.9, "selectivity_term": 0.777, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.456, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.59, "herg": 0.474, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.123507854518805, "aff_pf": -1.069523811340332, "aff_hs": 0.485191543896993, "repeats_pf": {"runs": 3, "values": [-1.0343, -1.0748, -1.0994], "mean": -1.0695, "spread": 0.0651}, "repeats_hs": {"runs": 3, "values": [0.4676, 0.4473, 0.5407], "mean": 0.4852, "spread": 0.0934}, "at": 1787081274}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069571, "scored_at": 1787081274, "alerts": [], "rank": 555}, {"candidate_id": "ODC-770A0F", "res_at": 1787388437, "skeleton": "KOPGTYYKRPANKA", "hf_user": "Ku-ku", "display_name": "V1_core_ringF", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1F", "total": 65.178, "axes": {"activity": 18.44, "binding": 16.12, "selectivity": 16.12, "admet": 5.89, "novelty": 5.11, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.706, "fraction": 0.615}, "binding": {"pIC50": 7.42, "LE": 0.442, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 120.4, "selectivity_term": 1.0, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 0.627, "ld50-zhu": 0.275, "herg": 0.692, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.7063731914098, "aff_pf": -1.4186454614003499, "aff_hs": 0.6620157758394877, "repeats_pf": {"runs": 3, "values": [-1.4992, -1.4329, -1.3238], "mean": -1.4186, "spread": 0.1754}, "repeats_hs": {"runs": 3, "values": [0.6866, 0.4449, 0.8546], "mean": 0.662, "spread": 0.4096}, "at": 1787388437}, "tier": 1, "relegate_reason": [], "submitted_at": 1787388015, "scored_at": 1787388437, "alerts": [], "rank": 556}, {"candidate_id": "ODC-E90798", "res_at": 1786895180, "skeleton": "VLZFFNIJPSRMPP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 65.177, "axes": {"activity": 11.98, "binding": 18.98, "selectivity": 18.59, "admet": 6.7, "novelty": 4.99, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.319, "fraction": 0.399}, "binding": {"pIC50": 7.85, "LE": 0.489, "potency_term": 0.949, "efficiency_cap": 1.0}, "selectivity": {"fold": 91.0, "selectivity_term": 0.98, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.639, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.624, "herg": 0.493, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.319095848589307, "aff_pf": -1.8471474647521973, "aff_hs": 0.11198448141415913, "repeats_pf": {"runs": 3, "values": [-1.8245, -1.8403, -1.8767], "mean": -1.8471, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [0.0765, 0.1246, 0.1348], "mean": 0.112, "spread": 0.0583}, "at": 1786895180}, "tier": 1, "relegate_reason": [], "submitted_at": 1786889399, "scored_at": 1786895180, "alerts": [], "rank": 557}, {"candidate_id": "ODC-2B6AB2", "res_at": 1787489076, "skeleton": "ASIAKTWSBYRWAN", "hf_user": "Ku-ku", "display_name": "KK-M-0823-51", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 65.175, "axes": {"activity": 14.63, "binding": 18.13, "selectivity": 17.23, "admet": 5.55, "novelty": 5.95, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 7.72, "LE": 0.441, "potency_term": 0.907, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.4, "selectivity_term": 0.95, "target_engagement": 0.907}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.169, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.657, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.477874604311572, "aff_pf": -1.7201919158299763, "aff_hs": 0.17982692023118338, "repeats_pf": {"runs": 3, "values": [-1.7456, -1.7161, -1.6989], "mean": -1.7202, "spread": 0.0467}, "repeats_hs": {"runs": 3, "values": [0.3016, 0.0978, 0.1401], "mean": 0.1798, "spread": 0.2038}, "at": 1787489076}, "tier": 1, "relegate_reason": [], "submitted_at": 1787488785, "scored_at": 1787489076, "alerts": [], "rank": 558}, {"candidate_id": "ODC-76E4C5", "res_at": 1787220579, "skeleton": "RJDGCHZYFBKBGX", "hf_user": "takutoyo", "display_name": "PfD9-A1", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.131, "axes": {"activity": 13.87, "binding": 18.78, "selectivity": 14.08, "admet": 9.55, "novelty": 5.89, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.432, "fraction": 0.462}, "binding": {"pIC50": 7.82, "LE": 0.446, "potency_term": 0.939, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.6, "selectivity_term": 0.75, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.678, "per_endpoint": {"solubility-aqsoldb": 0.634, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.572, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.549, "herg": 1.0, "dili": 0.103}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 5.432481689330448, "aff_pf": -1.816524624824524, "aff_hs": -0.31671010454495746, "repeats_pf": {"runs": 3, "values": [-1.9232, -1.882, -1.6445], "mean": -1.8165, "spread": 0.2787}, "repeats_hs": {"runs": 3, "values": [-0.2783, -0.3994, -0.2724], "mean": -0.3167, "spread": 0.1271}, "at": 1787220579}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218598, "scored_at": 1787220579, "rank": 559}, {"candidate_id": "ODC-7433C2", "res_at": 1787125583, "skeleton": "RENBTDCQKFLDNV", "hf_user": "takutoyo", "display_name": "PfD7-A5", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.126, "axes": {"activity": 22.08, "binding": 17.71, "selectivity": 10.58, "admet": 5.7, "novelty": 5.77, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.925, "fraction": 0.736}, "binding": {"pIC50": 7.66, "LE": 0.437, "potency_term": 0.886, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.597, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.786, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.358, "ld50-zhu": 0.539, "herg": 0.478, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.924989274589428, "aff_pf": -1.6568324168523152, "aff_hs": -0.4620828330516815, "repeats_pf": {"runs": 3, "values": [-1.5934, -1.6971, -1.68], "mean": -1.6568, "spread": 0.1037}, "repeats_hs": {"runs": 3, "values": [-0.4391, -0.4257, -0.5215], "mean": -0.4621, "spread": 0.0957}, "at": 1787125583}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108195, "scored_at": 1787125583, "alerts": [], "rank": 560}, {"candidate_id": "ODC-E74518", "res_at": 1787445154, "skeleton": "NQPQAFROTRSAML", "hf_user": "Ku-ku", "display_name": "KK-M-0823-05", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 65.121, "axes": {"activity": 13.94, "binding": 18.53, "selectivity": 17.41, "admet": 5.97, "novelty": 5.23, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 7.78, "LE": 0.463, "potency_term": 0.927, "efficiency_cap": 1.0}, "selectivity": {"fold": 75.7, "selectivity_term": 0.939, "target_engagement": 0.927}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.953, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.436595363691648, "aff_pf": -1.7798494497934978, "aff_hs": 0.09913827230532964, "repeats_pf": {"runs": 3, "values": [-1.7345, -1.7699, -1.8351], "mean": -1.7798, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [0.0479, 0.1544, 0.0951], "mean": 0.0991, "spread": 0.1064}, "at": 1787445154}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443759, "scored_at": 1787445154, "alerts": [], "rank": 561}, {"candidate_id": "ODC-B333D4", "res_at": 1789998372, "skeleton": "PHOPAQNXXSDWIG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0921-07", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 65.117, "axes": {"activity": 30.0, "binding": 14.33, "selectivity": 5.06, "admet": 5.18, "novelty": 6.84, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.606, "fraction": 1.0}, "binding": {"pIC50": 7.27, "LE": 0.284, "potency_term": 0.756, "efficiency_cap": 0.948}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.461, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.103}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 6.6062528879658, "aff_pf": -1.2672498226165771, "aff_hs": -0.5977248748143514, "repeats_pf": {"runs": 3, "values": [-1.1391, -1.3572, -1.3054], "mean": -1.2672, "spread": 0.2181}, "repeats_hs": {"runs": 3, "values": [-0.5932, -0.5356, -0.6644], "mean": -0.5977, "spread": 0.1288}, "at": 1789998372}, "tier": 1, "alerts": [], "total_sd": 0.916, "total_ci95": [63.51, 66.788], "relegate_reason": [], "submitted_at": 1789991831, "scored_at": 1789998372, "rank": 562}, {"candidate_id": "ODC-ED96D0", "res_at": 1787631443, "skeleton": "ZBCPLJRXWILCSU", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 65.113, "axes": {"activity": 18.03, "binding": 20.0, "selectivity": 11.27, "admet": 6.34, "novelty": 5.17, "synthesis": 4.3}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 8.03, "LE": 0.459, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.648, "herg": 0.369, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.681837690062112, "aff_pf": -2.03343935807546, "aff_hs": -0.9062022765477499, "repeats_pf": {"runs": 3, "values": [-1.9775, -2.0904, -2.0324], "mean": -2.0334, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [-0.9295, -0.8972, -0.892], "mean": -0.9062, "spread": 0.0375}, "at": 1787631443}, "tier": 1, "relegate_reason": [], "submitted_at": 1787624302, "scored_at": 1787631443, "alerts": [], "rank": 563}, {"candidate_id": "ODC-53DAC2", "res_at": 1786866367, "skeleton": "IUEWBTJJXWWDQV", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 65.078, "axes": {"activity": 15.13, "binding": 19.59, "selectivity": 15.53, "admet": 6.71, "novelty": 4.05, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.504}, "binding": {"pIC50": 7.94, "LE": 0.473, "potency_term": 0.979, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.5, "selectivity_term": 0.793, "target_engagement": 0.979}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.126, "ld50-zhu": 0.367, "herg": 0.744, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.507734868161788, "aff_pf": -1.9384078979492188, "aff_hs": -0.3530329416195552, "repeats_pf": {"runs": 3, "values": [-1.9854, -1.8838, -1.9461], "mean": -1.9384, "spread": 0.1016}, "repeats_hs": {"runs": 3, "values": [-0.398, -0.4182, -0.2429], "mean": -0.353, "spread": 0.1752}, "at": 1786866367}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859095, "scored_at": 1786866367, "alerts": [], "rank": 564}, {"candidate_id": "ODC-166446", "res_at": 1786905462, "skeleton": "NBSJKOZLJVFFKF", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 65.063, "axes": {"activity": 14.16, "binding": 19.61, "selectivity": 16.22, "admet": 6.22, "novelty": 4.64, "synthesis": 4.21}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.472}, "binding": {"pIC50": 7.94, "LE": 0.473, "potency_term": 0.98, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.2, "selectivity_term": 0.827, "target_engagement": 0.98}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.675, "ld50-zhu": 0.615, "herg": 0.437, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.449445510043183, "aff_pf": -1.9409988323847454, "aff_hs": -0.28624609112739563, "repeats_pf": {"runs": 3, "values": [-1.9422, -1.9687, -1.9121], "mean": -1.941, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [-0.2895, -0.2898, -0.2795], "mean": -0.2862, "spread": 0.0103}, "at": 1786905462}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892567, "scored_at": 1786905462, "alerts": [], "rank": 565}, {"candidate_id": "ODC-3590E0", "res_at": 1787251442, "skeleton": "CYPMYBIUPPZZAS", "hf_user": "1Dmeds", "display_name": "ODC26-R15-34", "model_name": "Claude Opus 5 free-cell corner scan", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1C", "total": 65.062, "axes": {"activity": 20.33, "binding": 16.96, "selectivity": 12.8, "admet": 6.33, "novelty": 4.83, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.82, "fraction": 0.678}, "binding": {"pIC50": 7.54, "LE": 0.449, "potency_term": 0.848, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.3, "selectivity_term": 0.754, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.507, "cyp3a4-substrate-carbonmangels": 0.289, "ld50-zhu": 0.331, "herg": 0.841, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.820099835896156, "aff_pf": -1.5446719725926716, "aff_hs": -0.03594742218653361, "repeats_pf": {"runs": 3, "values": [-1.5539, -1.5471, -1.5331], "mean": -1.5447, "spread": 0.0208}, "repeats_hs": {"runs": 3, "values": [-0.0277, -0.0326, -0.0475], "mean": -0.0359, "spread": 0.0198}, "at": 1787251442}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242243, "scored_at": 1787251442, "alerts": [], "rank": 566}, {"candidate_id": "ODC-68BC79", "res_at": 1787308606, "skeleton": "FWNTVFPFQHXYHQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········l)CC1", "total": 65.045, "axes": {"activity": 30.0, "binding": 12.89, "selectivity": 6.99, "admet": 4.05, "novelty": 7.25, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.45, "fraction": 1.0}, "binding": {"pIC50": 7.09, "LE": 0.278, "potency_term": 0.697, "efficiency_cap": 0.925}, "selectivity": {"fold": 10.1, "selectivity_term": 0.501, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.450196630609882, "aff_pf": -1.0896741549173992, "aff_hs": -0.0868067592382431, "repeats_pf": {"runs": 3, "values": [-1.1192, -1.0644, -1.0854], "mean": -1.0897, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [-0.1684, -0.0037, -0.0884], "mean": -0.0868, "spread": 0.1646}, "at": 1787308606}, "tier": 1, "relegate_reason": [], "submitted_at": 1787307011, "scored_at": 1787308606, "alerts": [], "rank": 567}, {"candidate_id": "ODC-DB4AFD", "res_at": 1787221334, "skeleton": "RSDTZNQGYLITJU", "hf_user": "takutoyo", "display_name": "PfD9-A5", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 65.044, "axes": {"activity": 13.61, "binding": 18.68, "selectivity": 14.02, "admet": 10.01, "novelty": 5.6, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 7.8, "LE": 0.486, "potency_term": 0.934, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.7, "selectivity_term": 0.75, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.715, "per_endpoint": {"solubility-aqsoldb": 0.706, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.586, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.402, "herg": 1.0, "dili": 0.303}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.416605919898736, "aff_pf": -1.8017164468765259, "aff_hs": -0.3010000189145406, "repeats_pf": {"runs": 3, "values": [-1.8297, -1.7587, -1.8167], "mean": -1.8017, "spread": 0.071}, "repeats_hs": {"runs": 3, "values": [-0.4539, -0.3001, -0.149], "mean": -0.301, "spread": 0.3049}, "at": 1787221334}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218632, "scored_at": 1787221334, "rank": 568}, {"candidate_id": "ODC-C3A53A", "res_at": 1786903596, "skeleton": "CLXUFDMLTOMRES", "hf_user": "ipsych", "display_name": "TPX-Cl5-SMe-4CF3-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 65.034, "axes": {"activity": 15.25, "binding": 19.51, "selectivity": 15.74, "admet": 5.61, "novelty": 4.62, "synthesis": 4.3}, "detail": {"activity": {"pAct_q10": 5.515, "fraction": 0.508}, "binding": {"pIC50": 7.93, "LE": 0.452, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.1, "selectivity_term": 0.807, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.101, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.795, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.405, "ld50-zhu": 0.637, "herg": 0.362, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.514871126847274, "aff_pf": -1.9267621835072835, "aff_hs": -0.31340651710828143, "repeats_pf": {"runs": 3, "values": [-1.9178, -1.9158, -1.9467], "mean": -1.9268, "spread": 0.0309}, "repeats_hs": {"runs": 3, "values": [-0.3505, -0.2484, -0.3413], "mean": -0.3134, "spread": 0.102}, "at": 1786903596}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891111, "scored_at": 1786903596, "alerts": [], "rank": 569}, {"candidate_id": "ODC-37EEC4", "res_at": 1788827103, "skeleton": "QBUWAJPVCDORNI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-0908-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········COCC1", "total": 65.018, "axes": {"activity": 30.0, "binding": 10.63, "selectivity": 7.33, "admet": 5.92, "novelty": 7.24, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.499, "fraction": 1.0}, "binding": {"pIC50": 6.84, "LE": 0.26, "potency_term": 0.613, "efficiency_cap": 0.867}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.613}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.784, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.615, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.499425447371603, "aff_pf": -0.8383143146832784, "aff_hs": 0.358124315738678, "repeats_pf": {"runs": 3, "values": [-0.9368, -0.7343, -0.8439], "mean": -0.8383, "spread": 0.2025}, "repeats_hs": {"runs": 3, "values": [0.4541, 0.276, 0.3444], "mean": 0.3581, "spread": 0.1781}, "at": 1788827103}, "tier": 1, "alerts": [], "total_sd": 0.855, "total_ci95": [63.509, 66.825], "relegate_reason": [], "submitted_at": 1788826626, "scored_at": 1788827103, "rank": 570}, {"candidate_id": "ODC-4FBB96", "res_at": 1787084293, "skeleton": "IBTLEFWYDWWBRJ", "hf_user": "1Dmeds", "display_name": "ODC26-MB-35", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 64.986, "axes": {"activity": 20.86, "binding": 17.73, "selectivity": 12.66, "admet": 4.87, "novelty": 5.29, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.851, "fraction": 0.695}, "binding": {"pIC50": 7.66, "LE": 0.456, "potency_term": 0.886, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.8, "selectivity_term": 0.714, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.655, "ld50-zhu": 0.45, "herg": 0.688, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.851467586770988, "aff_pf": -1.6590754985809326, "aff_hs": -0.2309496502081553, "repeats_pf": {"runs": 3, "values": [-1.6316, -1.7452, -1.6005], "mean": -1.6591, "spread": 0.1447}, "repeats_hs": {"runs": 3, "values": [-0.2857, -0.4648, 0.0576], "mean": -0.2309, "spread": 0.5224}, "at": 1787084293}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069858, "scored_at": 1787084293, "alerts": [], "rank": 571}, {"candidate_id": "ODC-930088", "res_at": 1786923502, "skeleton": "KVWOKWXZGZFHDZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 64.986, "axes": {"activity": 22.99, "binding": 14.63, "selectivity": 14.63, "admet": 4.82, "novelty": 4.72, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.979, "fraction": 0.766}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.732, "efficiency_cap": 1.0}, "selectivity": {"fold": 240.1, "selectivity_term": 1.0, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.433, "herg": 0.712, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.979385422218759, "aff_pf": -1.195191224416097, "aff_hs": 1.1851452589035034, "repeats_pf": {"runs": 3, "values": [-1.1621, -1.2354, -1.1882], "mean": -1.1952, "spread": 0.0733}, "repeats_hs": {"runs": 3, "values": [1.3173, 1.1844, 1.0538], "mean": 1.1851, "spread": 0.2635}, "at": 1786923502}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922380, "scored_at": 1786923502, "alerts": [], "rank": 572}, {"candidate_id": "ODC-0D31B0", "res_at": 1789333626, "skeleton": "GRYYHZUJVFYKHC", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 64.961, "axes": {"activity": 14.87, "binding": 18.43, "selectivity": 16.36, "admet": 6.49, "novelty": 5.05, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.496}, "binding": {"pIC50": 7.76, "LE": 0.443, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.6, "selectivity_term": 0.888, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.883, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.312, "ld50-zhu": 0.548, "herg": 0.405, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.492401996074411, "aff_pf": -1.7645166714986165, "aff_hs": 0.010591271022955576, "repeats_pf": {"runs": 3, "values": [-1.7659, -1.7144, -1.8133], "mean": -1.7645, "spread": 0.0988}, "repeats_hs": {"runs": 3, "values": [-0.0388, -0.0858, 0.1563], "mean": 0.0106, "spread": 0.2422}, "at": 1789333626}, "tier": 1, "alerts": [], "total_sd": 0.793, "total_ci95": [63.457, 66.618], "relegate_reason": [], "submitted_at": 1789323050, "scored_at": 1789333626, "rank": 573}, {"candidate_id": "ODC-7715F5", "res_at": 1788556637, "skeleton": "QIPVNBUBSARALP", "hf_user": "1Dmeds", "display_name": "ODC26-S1D13", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)NC··········)CCC1", "total": 64.947, "axes": {"activity": 26.13, "binding": 13.64, "selectivity": 10.7, "admet": 4.96, "novelty": 6.06, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.168, "fraction": 0.871}, "binding": {"pIC50": 7.13, "LE": 0.287, "potency_term": 0.712, "efficiency_cap": 0.958}, "selectivity": {"fold": 31.9, "selectivity_term": 0.752, "target_engagement": 0.712}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.252, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.776, "herg": 0.252, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.167663216358431, "aff_pf": -1.1347357829411824, "aff_hs": 0.3694442808628082, "repeats_pf": {"runs": 3, "values": [-0.9872, -1.2714, -1.1456], "mean": -1.1347, "spread": 0.2842}, "repeats_hs": {"runs": 3, "values": [0.3524, 0.3004, 0.4556], "mean": 0.3694, "spread": 0.1551}, "at": 1788556637}, "tier": 1, "alerts": [], "total_sd": 1.43, "total_ci95": [62.368, 68.078], "relegate_reason": [], "submitted_at": 1788517831, "scored_at": 1788556637, "rank": 574}, {"candidate_id": "ODC-B26BDF", "res_at": 1786921952, "skeleton": "USXGXXJNWZWGQO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 64.898, "axes": {"activity": 23.11, "binding": 16.64, "selectivity": 12.12, "admet": 4.76, "novelty": 4.84, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.987, "fraction": 0.77}, "binding": {"pIC50": 7.5, "LE": 0.38, "potency_term": 0.832, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.6, "selectivity_term": 0.728, "target_engagement": 0.832}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.632, "herg": 0.234, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.9866954492675415, "aff_pf": -1.4957523345947266, "aff_hs": -0.03909792502721151, "repeats_pf": {"runs": 3, "values": [-1.494, -1.478, -1.5153], "mean": -1.4958, "spread": 0.0374}, "repeats_hs": {"runs": 3, "values": [0.116, -0.1677, -0.0656], "mean": -0.0391, "spread": 0.2837}, "at": 1786921952}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921406, "scored_at": 1786921952, "alerts": [], "rank": 575}, {"candidate_id": "ODC-796B85", "res_at": 1787149450, "skeleton": "IKBYREFTXOMATR", "hf_user": "takutoyo", "display_name": "PfD8-A1", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 64.895, "axes": {"activity": 24.1, "binding": 16.53, "selectivity": 9.16, "admet": 6.47, "novelty": 5.34, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 6.046, "fraction": 0.803}, "binding": {"pIC50": 7.48, "LE": 0.427, "potency_term": 0.827, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.8, "selectivity_term": 0.554, "target_engagement": 0.827}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.383, "cyp3a4-substrate-carbonmangels": 0.507, "ld50-zhu": 0.441, "herg": 0.709, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.046151476335615, "aff_pf": -1.4799569845199585, "aff_hs": -0.37167955438296, "repeats_pf": {"runs": 3, "values": [-1.4791, -1.5026, -1.4582], "mean": -1.48, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [-0.284, -0.4837, -0.3473], "mean": -0.3717, "spread": 0.1997}, "at": 1787149450}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147901, "scored_at": 1787149450, "alerts": [], "rank": 576}, {"candidate_id": "ODC-257AD7", "res_at": 1787251828, "skeleton": "LFXQFQOQVINOJQ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-38", "model_name": "Claude Opus 5 free-cell corner scan", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 64.855, "axes": {"activity": 20.02, "binding": 17.82, "selectivity": 13.32, "admet": 5.48, "novelty": 4.15, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.801, "fraction": 0.667}, "binding": {"pIC50": 7.67, "LE": 0.457, "potency_term": 0.891, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.3, "selectivity_term": 0.748, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.407, "ld50-zhu": 0.309, "herg": 0.848, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.801411171160595, "aff_pf": -1.6724448998769124, "aff_hs": -0.1766606035331885, "repeats_pf": {"runs": 3, "values": [-1.66, -1.6612, -1.6961], "mean": -1.6724, "spread": 0.0361}, "repeats_hs": {"runs": 3, "values": [-0.129, -0.0311, -0.3698], "mean": -0.1767, "spread": 0.3387}, "at": 1787251828}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242269, "scored_at": 1787251828, "alerts": [], "rank": 577}, {"candidate_id": "ODC-F1C173", "res_at": 1786924246, "skeleton": "XGXIZJAXZKCUPD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 64.848, "axes": {"activity": 22.65, "binding": 14.23, "selectivity": 14.23, "admet": 5.79, "novelty": 4.92, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.959, "fraction": 0.755}, "binding": {"pIC50": 7.14, "LE": 0.407, "potency_term": 0.712, "efficiency_cap": 1.0}, "selectivity": {"fold": 137.0, "selectivity_term": 1.0, "target_engagement": 0.712}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.422, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.448, "herg": 0.883, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.959174506504207, "aff_pf": -1.1351159811019897, "aff_hs": 1.0017024079958599, "repeats_pf": {"runs": 3, "values": [-1.194, -1.0968, -1.1145], "mean": -1.1351, "spread": 0.0972}, "repeats_hs": {"runs": 3, "values": [1.0051, 0.9745, 1.0255], "mean": 1.0017, "spread": 0.051}, "at": 1786924246}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922420, "scored_at": 1786924246, "alerts": [], "rank": 578}, {"candidate_id": "ODC-0D3A80", "res_at": 1787406993, "skeleton": "ANDSOSNKKSYJMU", "hf_user": "takutoyo", "display_name": "PfD13-02", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC[Se]c··········)n2n1", "total": 64.843, "axes": {"activity": 9.53, "binding": 19.74, "selectivity": 13.75, "admet": 11.92, "novelty": 6.68, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 7.96, "LE": 0.474, "potency_term": 0.987, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.7, "selectivity_term": 0.697, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.805, "per_endpoint": {"solubility-aqsoldb": 0.62, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.845, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.619, "herg": 0.938, "dili": 0.711}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "3", "pAct_q10": 5.1720268913885095, "aff_pf": -1.960395336151123, "aff_hs": -0.5673720041910807, "repeats_pf": {"runs": 3, "values": [-1.9501, -1.9796, -1.9515], "mean": -1.9604, "spread": 0.0295}, "repeats_hs": {"runs": 3, "values": [-0.6863, -0.5597, -0.4561], "mean": -0.5674, "spread": 0.2302}, "at": 1787406993}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787406645, "scored_at": 1787406993, "rank": 579}, {"candidate_id": "ODC-7EC2FA", "res_at": 1789624656, "skeleton": "FRALVIFWCJNYBD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 64.836, "axes": {"activity": 29.59, "binding": 14.72, "selectivity": 5.35, "admet": 5.77, "novelty": 5.46, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.375, "fraction": 0.986}, "binding": {"pIC50": 7.21, "LE": 0.366, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.364, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.301, "cyp3a4-substrate-carbonmangels": 0.138, "ld50-zhu": 0.462, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.375261358005248, "aff_pf": -1.2083361546198528, "aff_hs": -0.48098069429397583, "repeats_pf": {"runs": 3, "values": [-1.1657, -1.198, -1.2614], "mean": -1.2083, "spread": 0.0957}, "repeats_hs": {"runs": 3, "values": [-0.5117, -0.4731, -0.4581], "mean": -0.481, "spread": 0.0536}, "at": 1789624656}, "tier": 1, "alerts": [], "total_sd": 0.386, "total_ci95": [64.14, 65.756], "relegate_reason": [], "submitted_at": 1789619468, "scored_at": 1789624656, "rank": 580}, {"candidate_id": "ODC-B988EB", "res_at": 1787996238, "skeleton": "AEMKGWCIVRDABY", "hf_user": "Ku-ku", "display_name": "KK-M-0829-599", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········)CCC2", "total": 64.834, "axes": {"activity": 25.54, "binding": 15.77, "selectivity": 10.0, "admet": 4.06, "novelty": 6.12, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 6.132, "fraction": 0.851}, "binding": {"pIC50": 7.37, "LE": 0.374, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.5, "selectivity_term": 0.634, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.1324024418375505, "aff_pf": -1.3659756978352864, "aff_hs": -0.09851010640462239, "repeats_pf": {"runs": 3, "values": [-1.3479, -1.3108, -1.4393], "mean": -1.366, "spread": 0.1285}, "repeats_hs": {"runs": 3, "values": [-0.0466, -0.1219, -0.1271], "mean": -0.0985, "spread": 0.0805}, "at": 1787996238}, "tier": 1, "alerts": [], "total_sd": 0.577, "total_ci95": [63.828, 66.229], "relegate_reason": [], "submitted_at": 1787972491, "scored_at": 1787996238, "rank": 581}, {"candidate_id": "ODC-43B74B", "res_at": 1786959490, "skeleton": "OJPFCLDXXXNTSU", "hf_user": "PhD-Shin", "display_name": "PhD-Shin A4", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 64.81, "axes": {"activity": 25.1, "binding": 16.31, "selectivity": 9.35, "admet": 5.84, "novelty": 4.54, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.106, "fraction": 0.837}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.0, "selectivity_term": 0.573, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.372, "herg": 0.68, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 6.105972223284469, "aff_pf": -1.446429173151652, "aff_hs": -0.30016644795735675, "repeats_pf": {"runs": 3, "values": [-1.4553, -1.4331, -1.4509], "mean": -1.4464, "spread": 0.0223}, "repeats_hs": {"runs": 3, "values": [-0.1782, -0.4727, -0.2497], "mean": -0.3002, "spread": 0.2945}, "at": 1786959490}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958961, "scored_at": 1786959490, "alerts": [], "rank": 582}, {"candidate_id": "ODC-EE5485", "res_at": 1788557407, "skeleton": "FSMJSMXBVUPKDU", "hf_user": "1Dmeds", "display_name": "ODC26-S1D14", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········F)CC1", "total": 64.809, "axes": {"activity": 28.07, "binding": 14.75, "selectivity": 6.16, "admet": 5.51, "novelty": 6.58, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.284, "fraction": 0.936}, "binding": {"pIC50": 7.27, "LE": 0.293, "potency_term": 0.756, "efficiency_cap": 0.976}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.244, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.2840858438866, "aff_pf": -1.267052412033081, "aff_hs": -0.4524053732554118, "repeats_pf": {"runs": 3, "values": [-1.3358, -1.2201, -1.2453], "mean": -1.2671, "spread": 0.1157}, "repeats_hs": {"runs": 3, "values": [-0.3486, -0.2771, -0.7315], "mean": -0.4524, "spread": 0.4543}, "at": 1788557407}, "tier": 1, "alerts": [], "total_sd": 1.04, "total_ci95": [62.7, 66.705], "relegate_reason": [], "submitted_at": 1788517839, "scored_at": 1788557407, "rank": 583}, {"candidate_id": "ODC-0A12B2", "res_at": 1788921596, "skeleton": "IMELIMNBRKGHSP", "hf_user": "Ku-ku", "display_name": "KK-M-0909-481", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 64.805, "axes": {"activity": 29.2, "binding": 12.42, "selectivity": 7.8, "admet": 4.53, "novelty": 6.92, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.352, "fraction": 0.973}, "binding": {"pIC50": 6.86, "LE": 0.336, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.0, "selectivity_term": 0.628, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.363, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.581, "ld50-zhu": 0.634, "herg": 0.05, "dili": 0.08}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 6.352205719220566, "aff_pf": -0.8624727129936218, "aff_hs": 0.393701175848643, "repeats_pf": {"runs": 3, "values": [-0.8506, -0.8619, -0.875], "mean": -0.8625, "spread": 0.0244}, "repeats_hs": {"runs": 3, "values": [0.6348, 0.2867, 0.2596], "mean": 0.3937, "spread": 0.3751}, "at": 1788921596}, "tier": 1, "alerts": [], "total_sd": 0.649, "total_ci95": [63.894, 66.302], "relegate_reason": [], "submitted_at": 1788905832, "scored_at": 1788921596, "rank": 584}, {"candidate_id": "ODC-E847C9", "res_at": 1788002504, "skeleton": "WSFWZFUHYLHMPZ", "hf_user": "Ku-ku", "display_name": "KK-M-0829-680", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 64.768, "axes": {"activity": 24.81, "binding": 17.19, "selectivity": 8.88, "admet": 4.64, "novelty": 5.96, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 6.089, "fraction": 0.827}, "binding": {"pIC50": 7.58, "LE": 0.399, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.762, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.507, "herg": 0.069, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.088806600110168, "aff_pf": -1.5788848797480266, "aff_hs": -0.5455653270085653, "repeats_pf": {"runs": 3, "values": [-1.6041, -1.5717, -1.5608], "mean": -1.5789, "spread": 0.0433}, "repeats_hs": {"runs": 3, "values": [-0.6074, -0.5373, -0.492], "mean": -0.5456, "spread": 0.1153}, "at": 1788002504}, "tier": 1, "alerts": [], "total_sd": 0.329, "total_ci95": [64.15, 65.491], "relegate_reason": [], "submitted_at": 1787988780, "scored_at": 1788002504, "rank": 585}, {"candidate_id": "ODC-FD6B67", "res_at": 1786933411, "skeleton": "LEUHZBWXPIDKKU", "hf_user": "choa712", "display_name": "LUCY-P11", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 64.761, "axes": {"activity": 21.05, "binding": 18.12, "selectivity": 10.81, "admet": 5.58, "novelty": 5.58, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.863, "fraction": 0.702}, "binding": {"pIC50": 7.72, "LE": 0.407, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.065, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.516, "herg": 0.374, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.86306954422066, "aff_pf": -1.7179569005966187, "aff_hs": -0.5244766771793365, "repeats_pf": {"runs": 3, "values": [-1.8401, -1.576, -1.7377], "mean": -1.718, "spread": 0.2641}, "repeats_hs": {"runs": 3, "values": [-0.5333, -0.5451, -0.495], "mean": -0.5245, "spread": 0.0501}, "at": 1786933411}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925602, "scored_at": 1786933411, "alerts": [], "rank": 586}, {"candidate_id": "ODC-731026", "res_at": 1788418552, "skeleton": "WHGIMYLYOWRYAD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV42", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 64.732, "axes": {"activity": 29.68, "binding": 11.79, "selectivity": 9.05, "admet": 4.79, "novelty": 6.83, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 6.381, "fraction": 0.989}, "binding": {"pIC50": 6.95, "LE": 0.272, "potency_term": 0.65, "efficiency_cap": 0.907}, "selectivity": {"fold": 24.7, "selectivity_term": 0.696, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.334, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.328, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.813, "herg": 0.189, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "0", "pAct_q10": 6.380569854599716, "aff_pf": -0.9504485527674357, "aff_hs": 0.44199416041374207, "repeats_pf": {"runs": 3, "values": [-0.9459, -1.0258, -0.8796], "mean": -0.9504, "spread": 0.1462}, "repeats_hs": {"runs": 3, "values": [0.5185, 0.6061, 0.2014], "mean": 0.442, "spread": 0.4047}, "at": 1788418552}, "tier": 1, "alerts": [], "total_sd": 0.948, "total_ci95": [62.966, 66.561], "relegate_reason": [], "submitted_at": 1788359381, "scored_at": 1788418552, "rank": 587}, {"candidate_id": "ODC-92B0F2", "res_at": 1786913443, "skeleton": "GKXNLXSAVXXERB", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 64.721, "axes": {"activity": 20.16, "binding": 17.08, "selectivity": 12.04, "admet": 6.48, "novelty": 5.52, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.809, "fraction": 0.672}, "binding": {"pIC50": 7.56, "LE": 0.432, "potency_term": 0.854, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.7, "selectivity_term": 0.705, "target_engagement": 0.854}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.541, "ld50-zhu": 0.488, "herg": 0.62, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.809424866687304, "aff_pf": -1.5621511936187744, "aff_hs": -0.1522958924372991, "repeats_pf": {"runs": 3, "values": [-1.5198, -1.556, -1.6106], "mean": -1.5622, "spread": 0.0908}, "repeats_hs": {"runs": 3, "values": [0.0087, -0.2465, -0.2191], "mean": -0.1523, "spread": 0.2553}, "at": 1786913443}, "tier": 1, "relegate_reason": [], "submitted_at": 1786913241, "scored_at": 1786913443, "alerts": [], "rank": 588}, {"candidate_id": "ODC-2D4F9D", "res_at": 1786901227, "skeleton": "CIVUGZSOFOXXTC", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 64.705, "axes": {"activity": 20.97, "binding": 17.87, "selectivity": 11.21, "admet": 6.08, "novelty": 4.62, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.858, "fraction": 0.699}, "binding": {"pIC50": 7.68, "LE": 0.438, "potency_term": 0.894, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.0, "selectivity_term": 0.628, "target_engagement": 0.894}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.851, "ld50-zhu": 0.63, "herg": 0.235, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 5.858300887306106, "aff_pf": -1.6805713971455891, "aff_hs": -0.4255307714144389, "repeats_pf": {"runs": 3, "values": [-1.7336, -1.6973, -1.6109], "mean": -1.6806, "spread": 0.1227}, "repeats_hs": {"runs": 3, "values": [-0.3065, -0.5478, -0.4223], "mean": -0.4255, "spread": 0.2413}, "at": 1786901227}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899326, "scored_at": 1786901227, "alerts": [], "rank": 589}, {"candidate_id": "ODC-B62E5D", "res_at": 1787495706, "skeleton": "RMSJEOOHPLKATO", "hf_user": "takutoyo", "display_name": "PfD15-21", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 64.698, "axes": {"activity": 25.98, "binding": 13.07, "selectivity": 14.39, "admet": 3.07, "novelty": 5.31, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 6.159, "fraction": 0.866}, "binding": {"pIC50": 7.16, "LE": 0.272, "potency_term": 0.719, "efficiency_cap": 0.908}, "selectivity": {"fold": 188.8, "selectivity_term": 1.0, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.473, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.606, "ld50-zhu": 0.436, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 6.159092950932162, "aff_pf": -1.1584200859069824, "aff_hs": 1.117550551891327, "repeats_pf": {"runs": 3, "values": [-1.2233, -1.0088, -1.2432], "mean": -1.1584, "spread": 0.2345}, "repeats_hs": {"runs": 3, "values": [1.1989, 0.9823, 1.1714], "mean": 1.1176, "spread": 0.2166}, "at": 1787495706}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491714, "scored_at": 1787495706, "alerts": [], "rank": 590}, {"candidate_id": "ODC-2003EF", "res_at": 1786844784, "skeleton": "ZQFSYRFBWVQDMF", "hf_user": "choa712", "display_name": "LUCY-R2-04", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 64.661, "axes": {"activity": 15.84, "binding": 17.56, "selectivity": 16.9, "admet": 7.15, "novelty": 3.23, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.551, "fraction": 0.528}, "binding": {"pIC50": 7.63, "LE": 0.475, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 84.0, "selectivity_term": 0.962, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.566, "ld50-zhu": 0.473, "herg": 0.819, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "1", "pAct_q10": 5.550594118192006, "aff_pf": -1.6341523726781209, "aff_hs": 0.2902014950911204, "repeats_pf": {"runs": 3, "values": [-1.6419, -1.6573, -1.6032], "mean": -1.6342, "spread": 0.0541}, "repeats_hs": {"runs": 3, "values": [0.2968, 0.3343, 0.2395], "mean": 0.2902, "spread": 0.0949}, "at": 1786844784}, "tier": 1, "relegate_reason": [], "submitted_at": 1786844081, "scored_at": 1786844784, "alerts": [], "rank": 591}, {"candidate_id": "ODC-A57B21", "res_at": 1789593622, "skeleton": "BRJSVQHLAPBBRT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Br", "total": 64.657, "axes": {"activity": 19.66, "binding": 19.57, "selectivity": 10.38, "admet": 5.21, "novelty": 5.87, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.78, "fraction": 0.655}, "binding": {"pIC50": 7.94, "LE": 0.418, "potency_term": 0.978, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.53, "target_engagement": 0.978}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.393, "ld50-zhu": 0.513, "herg": 0.233, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.779515217714608, "aff_pf": -1.935299555460612, "aff_hs": -0.874911904335022, "repeats_pf": {"runs": 3, "values": [-1.9719, -1.9701, -1.8639], "mean": -1.9353, "spread": 0.108}, "repeats_hs": {"runs": 3, "values": [-0.7683, -0.8414, -1.0151], "mean": -0.8749, "spread": 0.2468}, "at": 1789593622}, "tier": 1, "alerts": [], "total_sd": 0.967, "total_ci95": [62.648, 66.38], "relegate_reason": [], "submitted_at": 1789583221, "scored_at": 1789593622, "rank": 592}, {"candidate_id": "ODC-7B6E21", "res_at": 1787642781, "skeleton": "HZCKRFBHOXUTBU", "hf_user": "1Dmeds", "display_name": "ODC26-A-S1-4", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 64.601, "axes": {"activity": 28.1, "binding": 14.27, "selectivity": 7.86, "admet": 3.85, "novelty": 6.76, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.286, "fraction": 0.937}, "binding": {"pIC50": 7.31, "LE": 0.278, "potency_term": 0.769, "efficiency_cap": 0.927}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.457, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.623, "herg": 0.135, "dili": 0.178}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.286191371957791, "aff_pf": -1.3083290259043376, "aff_hs": -0.28644490738709766, "repeats_pf": {"runs": 3, "values": [-1.376, -1.3258, -1.2232], "mean": -1.3083, "spread": 0.1529}, "repeats_hs": {"runs": 3, "values": [-0.2982, -0.3136, -0.2475], "mean": -0.2864, "spread": 0.0662}, "at": 1787642781}, "tier": 1, "relegate_reason": [], "submitted_at": 1787638748, "scored_at": 1787642781, "alerts": [], "rank": 593}, {"candidate_id": "ODC-9B17B4", "res_at": 1789425791, "skeleton": "ZYBXUMKKJPRNDW", "hf_user": "Ku-ku", "display_name": "KK-M-0915-137", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 64.59, "axes": {"activity": 23.9, "binding": 18.74, "selectivity": 7.94, "admet": 4.82, "novelty": 6.33, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.034, "fraction": 0.797}, "binding": {"pIC50": 7.81, "LE": 0.412, "potency_term": 0.937, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.424, "target_engagement": 0.937}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.471, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "0", "pAct_q10": 6.034123594993668, "aff_pf": -1.8106197516123455, "aff_hs": -0.9632686972618103, "repeats_pf": {"runs": 3, "values": [-1.8931, -1.7473, -1.7914], "mean": -1.8106, "spread": 0.1458}, "repeats_hs": {"runs": 3, "values": [-1.281, -0.7467, -0.8622], "mean": -0.9633, "spread": 0.5343}, "at": 1789425791}, "tier": 1, "alerts": [], "total_sd": 1.47, "total_ci95": [61.799, 67.454], "relegate_reason": [], "submitted_at": 1789425041, "scored_at": 1789425791, "rank": 594}, {"candidate_id": "ODC-63C17B", "res_at": 1786914677, "skeleton": "IETIZSYQUUPBAW", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 64.574, "axes": {"activity": 22.2, "binding": 16.21, "selectivity": 13.41, "admet": 5.46, "novelty": 3.83, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.932, "fraction": 0.74}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.1, "selectivity_term": 0.827, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.602, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.672, "ld50-zhu": 0.35, "herg": 0.609, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.93212563693762, "aff_pf": -1.4319585959116619, "aff_hs": 0.22224767009417215, "repeats_pf": {"runs": 3, "values": [-1.5174, -1.3658, -1.4126], "mean": -1.432, "spread": 0.1516}, "repeats_hs": {"runs": 3, "values": [0.0219, 0.0848, 0.56], "mean": 0.2222, "spread": 0.5382}, "at": 1786914677}, "tier": 1, "relegate_reason": [], "submitted_at": 1786914126, "scored_at": 1786914677, "alerts": [], "rank": 595}, {"candidate_id": "ODC-A5EA9C", "res_at": 1788490292, "skeleton": "WEGSZGASVTVTSU", "hf_user": "1Dmeds", "display_name": "ODC26-ODC26-S1G-03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········COCC1", "total": 64.554, "axes": {"activity": 28.66, "binding": 13.47, "selectivity": 6.64, "admet": 5.75, "novelty": 7.03, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.955}, "binding": {"pIC50": 7.21, "LE": 0.274, "potency_term": 0.737, "efficiency_cap": 0.915}, "selectivity": {"fold": 8.0, "selectivity_term": 0.451, "target_engagement": 0.737}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.577, "caco2-wang": 0.389, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.718, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.522, "herg": 0.072, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "0", "pAct_q10": 6.319776547620997, "aff_pf": -1.209956685702006, "aff_hs": -0.30835721890131634, "repeats_pf": {"runs": 3, "values": [-1.0896, -1.1622, -1.378], "mean": -1.21, "spread": 0.2884}, "repeats_hs": {"runs": 3, "values": [-0.2165, -0.5124, -0.1961], "mean": -0.3084, "spread": 0.3163}, "at": 1788490292}, "tier": 1, "alerts": [], "total_sd": 1.443, "total_ci95": [62.134, 67.753], "relegate_reason": [], "submitted_at": 1788430535, "scored_at": 1788490292, "rank": 596}, {"candidate_id": "ODC-3CEE2A", "res_at": 1788551059, "skeleton": "FNRRMPAZJARLEF", "hf_user": "Ku-ku", "display_name": "KK-M-0904-121", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 64.553, "axes": {"activity": 27.71, "binding": 12.59, "selectivity": 9.93, "admet": 4.59, "novelty": 6.03, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.262, "fraction": 0.924}, "binding": {"pIC50": 6.89, "LE": 0.315, "potency_term": 0.629, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.8, "selectivity_term": 0.789, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.423, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.262475288958844, "aff_pf": -0.8884763916333517, "aff_hs": 0.68945840994517, "repeats_pf": {"runs": 3, "values": [-0.8312, -0.8277, -1.0066], "mean": -0.8885, "spread": 0.1789}, "repeats_hs": {"runs": 3, "values": [0.752, 0.6675, 0.6489], "mean": 0.6895, "spread": 0.103}, "at": 1788551059}, "tier": 1, "alerts": [], "total_sd": 0.943, "total_ci95": [63.27, 66.711], "relegate_reason": [], "submitted_at": 1788502602, "scored_at": 1788551059, "rank": 597}, {"candidate_id": "ODC-4BDBEB", "res_at": 1788169270, "skeleton": "ARQUTRCHAVCGBL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R02", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 64.531, "axes": {"activity": 17.05, "binding": 17.55, "selectivity": 16.45, "admet": 4.79, "novelty": 5.14, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 7.64, "LE": 0.299, "potency_term": 0.88, "efficiency_cap": 0.997}, "selectivity": {"fold": 73.9, "selectivity_term": 0.934, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.581, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.164, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.623105755489954, "aff_pf": -1.6409746011098225, "aff_hs": 0.22753410041332245, "repeats_pf": {"runs": 3, "values": [-1.6535, -1.5796, -1.6898], "mean": -1.641, "spread": 0.1102}, "repeats_hs": {"runs": 3, "values": [0.1765, 0.3423, 0.1638], "mean": 0.2275, "spread": 0.1785}, "at": 1788169270}, "tier": 1, "alerts": [], "total_sd": 0.925, "total_ci95": [62.657, 66.439], "relegate_reason": [], "submitted_at": 1788165865, "scored_at": 1788169270, "rank": 598}, {"candidate_id": "ODC-07E65E", "res_at": 1786898461, "skeleton": "XEUGZOOFXJMDHW", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M-N1 고리질소 재배치", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1F", "total": 64.524, "axes": {"activity": 20.77, "binding": 16.41, "selectivity": 12.88, "admet": 5.38, "novelty": 5.55, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.846, "fraction": 0.692}, "binding": {"pIC50": 7.46, "LE": 0.426, "potency_term": 0.821, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.1, "selectivity_term": 0.785, "target_engagement": 0.821}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.299, "herg": 0.489, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.846143388389917, "aff_pf": -1.4618345896402996, "aff_hs": 0.10783226788043976, "repeats_pf": {"runs": 3, "values": [-1.5451, -1.3116, -1.5288], "mean": -1.4618, "spread": 0.2335}, "repeats_hs": {"runs": 3, "values": [0.1085, 0.2114, 0.0036], "mean": 0.1078, "spread": 0.2078}, "at": 1786898461}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892826, "scored_at": 1786898461, "alerts": [], "rank": 599}, {"candidate_id": "ODC-89DD40", "res_at": 1786868907, "skeleton": "JPDOUWWQUMFQBD", "hf_user": "ipsych", "display_name": "TPSM-4Cl3Br", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 64.51, "axes": {"activity": 15.24, "binding": 18.45, "selectivity": 18.45, "admet": 5.44, "novelty": 2.5, "synthesis": 4.43}, "detail": {"activity": {"pAct_q10": 5.514, "fraction": 0.508}, "binding": {"pIC50": 7.77, "LE": 0.507, "potency_term": 0.923, "efficiency_cap": 1.0}, "selectivity": {"fold": 167.3, "selectivity_term": 1.0, "target_engagement": 0.923}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.065, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.35, "herg": 0.338, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 5.514191676361963, "aff_pf": -1.767734209696452, "aff_hs": 0.4557701547940572, "repeats_pf": {"runs": 3, "values": [-1.7627, -1.7536, -1.7869], "mean": -1.7677, "spread": 0.0334}, "repeats_hs": {"runs": 3, "values": [0.5372, 0.3263, 0.5038], "mean": 0.4558, "spread": 0.2109}, "at": 1786868907}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859574, "scored_at": 1786868907, "alerts": [], "rank": 600}, {"candidate_id": "ODC-816D0F", "res_at": 1786902689, "skeleton": "ZNGYGDMTOBBXNZ", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 64.5, "axes": {"activity": 23.36, "binding": 15.28, "selectivity": 12.65, "admet": 5.33, "novelty": 4.6, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 6.002, "fraction": 0.779}, "binding": {"pIC50": 7.29, "LE": 0.434, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.2, "selectivity_term": 0.828, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.444, "herg": 0.742, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 6.00173730864169, "aff_pf": -1.2925424973169963, "aff_hs": 0.3626519441604614, "repeats_pf": {"runs": 3, "values": [-1.327, -1.2309, -1.3197], "mean": -1.2925, "spread": 0.0961}, "repeats_hs": {"runs": 3, "values": [0.3746, 0.3242, 0.3892], "mean": 0.3627, "spread": 0.0649}, "at": 1786902689}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899510, "scored_at": 1786902689, "alerts": [], "rank": 601}, {"candidate_id": "ODC-D4F94A", "res_at": 1787523220, "skeleton": "IPONBWDKSOZHCF", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 64.421, "axes": {"activity": 24.53, "binding": 17.34, "selectivity": 7.55, "admet": 6.1, "novelty": 5.6, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 6.072, "fraction": 0.818}, "binding": {"pIC50": 7.6, "LE": 0.401, "potency_term": 0.867, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.515, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.392, "herg": 0.314, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.07150020280781, "aff_pf": -1.601514220237732, "aff_hs": -0.731089452902476, "repeats_pf": {"runs": 3, "values": [-1.5403, -1.7188, -1.5455], "mean": -1.6015, "spread": 0.1785}, "repeats_hs": {"runs": 3, "values": [-0.6764, -0.891, -0.6259], "mean": -0.7311, "spread": 0.265}, "at": 1787523220}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520611, "scored_at": 1787523220, "alerts": [], "rank": 602}, {"candidate_id": "ODC-8C02B5", "res_at": 1788230085, "skeleton": "HDYVJTBCNUATGY", "hf_user": "Ku-ku", "display_name": "KK-M-0829-008", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········)CCC2", "total": 64.408, "axes": {"activity": 27.02, "binding": 15.98, "selectivity": 6.72, "admet": 4.63, "novelty": 6.6, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.221, "fraction": 0.901}, "binding": {"pIC50": 7.4, "LE": 0.39, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.566, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.221057209450922, "aff_pf": -1.397660533587138, "aff_hs": -0.5568775733311971, "repeats_pf": {"runs": 3, "values": [-1.437, -1.3979, -1.3581], "mean": -1.3977, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [-0.5475, -0.6294, -0.4937], "mean": -0.5569, "spread": 0.1356}, "at": 1788230085}, "tier": 1, "alerts": [], "total_sd": 0.407, "total_ci95": [63.594, 65.235], "relegate_reason": [], "submitted_at": 1788184829, "scored_at": 1788230085, "rank": 603}, {"candidate_id": "ODC-63F145", "res_at": 1787184652, "skeleton": "LDZVXFWGTZZXKI", "hf_user": "Ku-ku", "display_name": "C3_5F_SCHF2_CF3F", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 64.398, "axes": {"activity": 25.08, "binding": 16.54, "selectivity": 8.14, "admet": 6.12, "novelty": 4.99, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 6.105, "fraction": 0.836}, "binding": {"pIC50": 7.48, "LE": 0.394, "potency_term": 0.827, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.492, "target_engagement": 0.827}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.363, "cyp3a4-substrate-carbonmangels": 0.87, "ld50-zhu": 0.498, "herg": 0.264, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 6.10476193117006, "aff_pf": -1.4808710813522339, "aff_hs": -0.49683624505996704, "repeats_pf": {"runs": 3, "values": [-1.4605, -1.5211, -1.461], "mean": -1.4809, "spread": 0.0606}, "repeats_hs": {"runs": 3, "values": [-0.478, -0.5038, -0.5087], "mean": -0.4968, "spread": 0.0307}, "at": 1787184652}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184031, "scored_at": 1787184652, "alerts": [], "rank": 604}, {"candidate_id": "ODC-DD5AEB", "res_at": 1788551800, "skeleton": "HEBDJLFMYCHXSI", "hf_user": "Ku-ku", "display_name": "KK-M-0904-997", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 64.383, "axes": {"activity": 30.0, "binding": 9.56, "selectivity": 8.05, "admet": 5.83, "novelty": 6.97, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.548, "fraction": 1.0}, "binding": {"pIC50": 6.43, "LE": 0.304, "potency_term": 0.478, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.4, "selectivity_term": 0.842, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.547, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.451, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.548191203307226, "aff_pf": -0.4340651532014211, "aff_hs": 1.250691294670105, "repeats_pf": {"runs": 3, "values": [-0.2398, -0.5248, -0.5376], "mean": -0.4341, "spread": 0.2978}, "repeats_hs": {"runs": 3, "values": [1.1865, 1.2213, 1.3443], "mean": 1.2507, "spread": 0.1578}, "at": 1788551800}, "tier": 1, "alerts": [], "total_sd": 1.243, "total_ci95": [62.518, 66.319], "relegate_reason": [], "submitted_at": 1788502617, "scored_at": 1788551800, "rank": 605}, {"candidate_id": "ODC-0F642C", "res_at": 1787046353, "skeleton": "IXFLKUFVODJUHM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 64.372, "axes": {"activity": 17.83, "binding": 17.75, "selectivity": 15.45, "admet": 5.44, "novelty": 3.96, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.67, "fraction": 0.594}, "binding": {"pIC50": 7.66, "LE": 0.456, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.1, "selectivity_term": 0.871, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.406, "ld50-zhu": 0.301, "herg": 0.722, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.66976360419973, "aff_pf": -1.6619606812795003, "aff_hs": 0.07906937102476756, "repeats_pf": {"runs": 3, "values": [-1.6698, -1.6373, -1.6788], "mean": -1.662, "spread": 0.0414}, "repeats_hs": {"runs": 3, "values": [0.2306, -0.1112, 0.1178], "mean": 0.0791, "spread": 0.3418}, "at": 1787046353}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039485, "scored_at": 1787046353, "alerts": [], "rank": 606}, {"candidate_id": "ODC-57485D", "res_at": 1787285547, "skeleton": "HEMOYOCPKRJXSB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)CC1", "total": 64.327, "axes": {"activity": 30.0, "binding": 13.79, "selectivity": 4.31, "admet": 4.86, "novelty": 7.47, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.537, "fraction": 1.0}, "binding": {"pIC50": 7.25, "LE": 0.276, "potency_term": 0.75, "efficiency_cap": 0.92}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.411, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.27, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.272}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.536673115673693, "aff_pf": -1.2489752769470215, "aff_hs": -0.6734744111696879, "repeats_pf": {"runs": 3, "values": [-1.3721, -1.1767, -1.1982], "mean": -1.249, "spread": 0.1955}, "repeats_hs": {"runs": 3, "values": [-0.7794, -0.956, -0.285], "mean": -0.6735, "spread": 0.671}, "at": 1787285547}, "tier": 1, "relegate_reason": [], "submitted_at": 1787281040, "scored_at": 1787285547, "alerts": [], "rank": 607}, {"candidate_id": "ODC-9DB9B3", "res_at": 1787251251, "skeleton": "PVERFXYWDMCXKP", "hf_user": "1Dmeds", "display_name": "ODC26-R15-33", "model_name": "Claude Opus 5 free-cell corner scan", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 64.311, "axes": {"activity": 21.54, "binding": 18.07, "selectivity": 9.95, "admet": 6.44, "novelty": 4.29, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.892, "fraction": 0.718}, "binding": {"pIC50": 7.71, "LE": 0.459, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.551, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.834, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.305, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.8923504643176825, "aff_pf": -1.7105817000071208, "aff_hs": -0.6091698110103607, "repeats_pf": {"runs": 3, "values": [-1.8279, -1.6598, -1.644], "mean": -1.7106, "spread": 0.1839}, "repeats_hs": {"runs": 3, "values": [-0.427, -0.6814, -0.7191], "mean": -0.6092, "spread": 0.2921}, "at": 1787251251}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242235, "scored_at": 1787251251, "alerts": [], "rank": 608}, {"candidate_id": "ODC-C876A2", "res_at": 1788232811, "skeleton": "RYKIQJVELHVOAZ", "hf_user": "Ku-ku", "display_name": "KK-M-0831-848", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Nc··········nc2n1", "total": 64.287, "axes": {"activity": 28.33, "binding": 11.72, "selectivity": 10.68, "admet": 4.25, "novelty": 6.34, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 6.3, "fraction": 0.944}, "binding": {"pIC50": 6.76, "LE": 0.319, "potency_term": 0.586, "efficiency_cap": 1.0}, "selectivity": {"fold": 66.5, "selectivity_term": 0.911, "target_engagement": 0.586}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.063, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.263, "ld50-zhu": 0.489, "herg": 0.07, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "3", "pAct_q10": 6.299932327325707, "aff_pf": -0.7579283515612284, "aff_hs": 1.0648374160130818, "repeats_pf": {"runs": 3, "values": [-0.799, -0.6673, -0.8075], "mean": -0.7579, "spread": 0.1401}, "repeats_hs": {"runs": 3, "values": [1.0649, 0.9172, 1.2125], "mean": 1.0648, "spread": 0.2953}, "at": 1788232811}, "tier": 1, "alerts": [], "total_sd": 0.809, "total_ci95": [62.629, 65.702], "relegate_reason": [], "submitted_at": 1788186854, "scored_at": 1788232811, "rank": 609}, {"candidate_id": "ODC-69F15E", "res_at": 1788421150, "skeleton": "ISWSSKXTYQYAFG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV43", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 64.259, "axes": {"activity": 30.0, "binding": 13.01, "selectivity": 7.91, "admet": 4.11, "novelty": 7.18, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 6.483, "fraction": 1.0}, "binding": {"pIC50": 7.2, "LE": 0.266, "potency_term": 0.732, "efficiency_cap": 0.888}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.412, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.44, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.949, "herg": 0.174, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 4.56}}, "run": {"gpu": "0", "pAct_q10": 6.482585661229885, "aff_pf": -1.1974210739135742, "aff_hs": -0.11740223566691081, "repeats_pf": {"runs": 3, "values": [-1.1655, -1.1123, -1.3144], "mean": -1.1974, "spread": 0.2021}, "repeats_hs": {"runs": 3, "values": [-0.2644, -0.0595, -0.0284], "mean": -0.1174, "spread": 0.236}, "at": 1788421150}, "tier": 1, "alerts": [], "total_sd": 1.014, "total_ci95": [62.462, 66.498], "relegate_reason": [], "submitted_at": 1788359395, "scored_at": 1788421150, "rank": 610}, {"candidate_id": "ODC-626C0C", "res_at": 1789885774, "skeleton": "GNNVMJYZTJJEDA", "hf_user": "Ku-ku", "display_name": "KK-M-0917-316", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 64.195, "axes": {"activity": 17.59, "binding": 18.44, "selectivity": 9.28, "admet": 9.56, "novelty": 6.28, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 7.77, "LE": 0.426, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.503, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.691, "per_endpoint": {"solubility-aqsoldb": 0.659, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.698, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.547, "herg": 0.365, "dili": 0.277}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "0", "pAct_q10": 5.655374156595573, "aff_pf": -1.7664735317230225, "aff_hs": -0.7597784002621969, "repeats_pf": {"runs": 3, "values": [-1.7564, -1.7844, -1.7586], "mean": -1.7665, "spread": 0.028}, "repeats_hs": {"runs": 3, "values": [-0.7892, -0.7014, -0.7888], "mean": -0.7598, "spread": 0.0878}, "at": 1789885774}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.286, "total_ci95": [63.684, 64.935], "relegate_reason": [], "submitted_at": 1789652787, "scored_at": 1789885774, "rank": 611}, {"candidate_id": "ODC-0F9935", "res_at": 1786889934, "skeleton": "DMRMNTPVKWZWRW", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "350-400", "visibility": "public", "smiles": "CC(F)(F)c1nc2nc(Cl)cc(Nc3ccc(C(F)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 64.175, "axes": {"activity": 15.03, "binding": 19.2, "selectivity": 15.4, "admet": 6.31, "novelty": 4.07, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 7.88, "LE": 0.415, "potency_term": 0.96, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.1, "selectivity_term": 0.802, "target_engagement": 0.96}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.613, "ld50-zhu": 0.424, "herg": 0.319, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.501951994371927, "aff_pf": -1.8801169792811077, "aff_hs": -0.276483694712321, "repeats_pf": {"runs": 3, "values": [-1.9325, -1.8665, -1.8413], "mean": -1.8801, "spread": 0.0913}, "repeats_hs": {"runs": 3, "values": [-0.3075, -0.3054, -0.2165], "mean": -0.2765, "spread": 0.091}, "at": 1786889934}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876052, "scored_at": 1786889934, "alerts": [], "rank": 612}, {"candidate_id": "ODC-BAFC56", "res_at": 1787175045, "skeleton": "DOCBJGFUPOBMKP", "hf_user": "1Dmeds", "display_name": "ODC26-FN-18", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 64.165, "axes": {"activity": 22.27, "binding": 17.81, "selectivity": 9.11, "admet": 5.88, "novelty": 5.26, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.936, "fraction": 0.742}, "binding": {"pIC50": 7.67, "LE": 0.457, "potency_term": 0.891, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.512, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.408, "herg": 0.892, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.9363407352074775, "aff_pf": -1.6716399987538655, "aff_hs": -0.6486134926478068, "repeats_pf": {"runs": 3, "values": [-1.7521, -1.6707, -1.5921], "mean": -1.6716, "spread": 0.16}, "repeats_hs": {"runs": 3, "values": [-0.5035, -0.8437, -0.5986], "mean": -0.6486, "spread": 0.3402}, "at": 1787175045}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171764, "scored_at": 1787175045, "alerts": [], "rank": 613}, {"candidate_id": "ODC-5B6E5D", "res_at": 1787525189, "skeleton": "DKBIVIGIWMUQOB", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 64.145, "axes": {"activity": 13.37, "binding": 17.72, "selectivity": 17.14, "admet": 7.44, "novelty": 4.82, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.402, "fraction": 0.446}, "binding": {"pIC50": 7.66, "LE": 0.456, "potency_term": 0.886, "efficiency_cap": 1.0}, "selectivity": {"fold": 86.1, "selectivity_term": 0.967, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.404, "cyp3a4-substrate-carbonmangels": 0.578, "ld50-zhu": 0.597, "herg": 0.713, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.402463234448188, "aff_pf": -1.657753626505534, "aff_hs": 0.2770896057287852, "repeats_pf": {"runs": 3, "values": [-1.6663, -1.6385, -1.6685], "mean": -1.6578, "spread": 0.03}, "repeats_hs": {"runs": 3, "values": [0.2823, 0.3186, 0.2304], "mean": 0.2771, "spread": 0.0882}, "at": 1787525189}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520654, "scored_at": 1787525189, "alerts": [], "rank": 614}, {"candidate_id": "ODC-C5B2BE", "res_at": 1787083925, "skeleton": "NEBVEUZAYPLRHE", "hf_user": "1Dmeds", "display_name": "ODC26-MB-33", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 64.119, "axes": {"activity": 19.79, "binding": 17.07, "selectivity": 13.5, "admet": 5.18, "novelty": 4.98, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.787, "fraction": 0.66}, "binding": {"pIC50": 7.56, "LE": 0.45, "potency_term": 0.854, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.2, "selectivity_term": 0.791, "target_engagement": 0.854}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.696, "ld50-zhu": 0.455, "herg": 0.492, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.787404495139815, "aff_pf": -1.5611461798350017, "aff_hs": 0.020548765858014423, "repeats_pf": {"runs": 3, "values": [-1.6181, -1.4969, -1.5684], "mean": -1.5611, "spread": 0.1212}, "repeats_hs": {"runs": 3, "values": [0.2019, -0.1918, 0.0516], "mean": 0.0205, "spread": 0.3937}, "at": 1787083925}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069842, "scored_at": 1787083925, "alerts": [], "rank": 615}, {"candidate_id": "ODC-C8E5BF", "res_at": 1786892027, "skeleton": "LEEGZEAYTSCPNX", "hf_user": "PhD-Shin", "display_name": "PhD-Shin S1-A2", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 64.068, "axes": {"activity": 21.86, "binding": 16.67, "selectivity": 10.67, "admet": 6.31, "novelty": 5.29, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.911, "fraction": 0.729}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.1, "selectivity_term": 0.64, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.703, "ld50-zhu": 0.554, "herg": 0.425, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.911421100091879, "aff_pf": -1.500389814376831, "aff_hs": -0.21984477837880453, "repeats_pf": {"runs": 3, "values": [-1.4641, -1.5348, -1.5022], "mean": -1.5004, "spread": 0.0707}, "repeats_hs": {"runs": 3, "values": [-0.2903, -0.1815, -0.1877], "mean": -0.2198, "spread": 0.1088}, "at": 1786892027}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884666, "scored_at": 1786892027, "alerts": [], "rank": 616}, {"candidate_id": "ODC-7AB89C", "res_at": 1788167808, "skeleton": "UAUJPFIVONANDU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R09", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········F)CC1", "total": 64.053, "axes": {"activity": 19.41, "binding": 17.63, "selectivity": 13.48, "admet": 4.79, "novelty": 5.16, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.765, "fraction": 0.647}, "binding": {"pIC50": 7.76, "LE": 0.287, "potency_term": 0.92, "efficiency_cap": 0.958}, "selectivity": {"fold": 29.2, "selectivity_term": 0.732, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.517, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.524, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.681, "herg": 0.321, "dili": 0.132}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.764672944791967, "aff_pf": -1.7608360449473064, "aff_hs": -0.2961374968290329, "repeats_pf": {"runs": 3, "values": [-1.822, -1.7884, -1.6722], "mean": -1.7608, "spread": 0.1498}, "repeats_hs": {"runs": 3, "values": [-0.46, -0.2229, -0.2055], "mean": -0.2961, "spread": 0.2545}, "at": 1788167808}, "tier": 1, "alerts": [], "total_sd": 1.271, "total_ci95": [61.832, 66.274], "relegate_reason": [], "submitted_at": 1788165750, "scored_at": 1788167808, "rank": 617}, {"candidate_id": "ODC-7A366E", "res_at": 1786897557, "skeleton": "VLDVDNVHGJLRCN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 64.023, "axes": {"activity": 14.35, "binding": 19.85, "selectivity": 15.39, "admet": 5.14, "novelty": 4.79, "synthesis": 4.5}, "detail": {"activity": {"pAct_q10": 5.461, "fraction": 0.478}, "binding": {"pIC50": 7.98, "LE": 0.475, "potency_term": 0.993, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.5, "selectivity_term": 0.775, "target_engagement": 0.993}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.541, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.424, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.213, "ld50-zhu": 0.673, "herg": 0.162, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.461167831723378, "aff_pf": -1.9776246945063274, "aff_hs": -0.427338570356369, "repeats_pf": {"runs": 3, "values": [-1.9947, -1.9642, -1.974], "mean": -1.9776, "spread": 0.0306}, "repeats_hs": {"runs": 3, "values": [-0.4925, -0.4411, -0.3484], "mean": -0.4273, "spread": 0.1441}, "at": 1786897557}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892602, "scored_at": 1786897557, "alerts": [], "rank": 618}, {"candidate_id": "ODC-4E3EB7", "res_at": 1788821844, "skeleton": "HVTSKWRAELJGOA", "hf_user": "Ku-ku", "display_name": "KK-M-0907-446", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 63.998, "axes": {"activity": 25.61, "binding": 12.77, "selectivity": 10.97, "admet": 5.42, "novelty": 5.77, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.136, "fraction": 0.854}, "binding": {"pIC50": 6.92, "LE": 0.338, "potency_term": 0.638, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.4, "selectivity_term": 0.859, "target_engagement": 0.638}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.773, "ld50-zhu": 0.532, "herg": 0.107, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.136409827611538, "aff_pf": -0.9152385592460632, "aff_hs": 0.803727408250173, "repeats_pf": {"runs": 3, "values": [-0.9305, -0.9438, -0.8714], "mean": -0.9152, "spread": 0.0723}, "repeats_hs": {"runs": 3, "values": [0.8339, 0.7513, 0.8261], "mean": 0.8037, "spread": 0.0826}, "at": 1788821844}, "tier": 1, "alerts": [], "total_sd": 0.381, "total_ci95": [63.165, 64.631], "relegate_reason": [], "submitted_at": 1788786675, "scored_at": 1788821844, "rank": 619}, {"candidate_id": "ODC-ADFABA", "res_at": 1789400607, "skeleton": "YDVTYXOQPZXHJP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 63.977, "axes": {"activity": 15.29, "binding": 17.67, "selectivity": 14.53, "admet": 8.03, "novelty": 5.41, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.51}, "binding": {"pIC50": 7.65, "LE": 0.419, "potency_term": 0.884, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.1, "selectivity_term": 0.822, "target_engagement": 0.884}, "admet": {"geometric_mean": 0.606, "per_endpoint": {"solubility-aqsoldb": 0.558, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.469, "cyp3a4-substrate-carbonmangels": 0.306, "ld50-zhu": 0.507, "herg": 1.0, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.517447387422768, "aff_pf": -1.6507355372111003, "aff_hs": -0.006575890506307284, "repeats_pf": {"runs": 3, "values": [-1.7091, -1.6448, -1.5983], "mean": -1.6507, "spread": 0.1108}, "repeats_hs": {"runs": 3, "values": [0.0041, 0.0072, -0.0311], "mean": -0.0066, "spread": 0.0383}, "at": 1789400607}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.705, "total_ci95": [62.652, 65.1], "relegate_reason": [], "submitted_at": 1789400217, "scored_at": 1789400607, "rank": 620}, {"candidate_id": "ODC-AB960D", "res_at": 1787251057, "skeleton": "XTXAWTJSOVDYKN", "hf_user": "1Dmeds", "display_name": "ODC26-R15-32", "model_name": "Claude Opus 5 free-cell corner scan", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 63.969, "axes": {"activity": 22.27, "binding": 16.44, "selectivity": 11.05, "admet": 6.24, "novelty": 4.33, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.936, "fraction": 0.742}, "binding": {"pIC50": 7.47, "LE": 0.445, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.1, "selectivity_term": 0.672, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.434, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.336, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.9360643283073955, "aff_pf": -1.466099699338277, "aff_hs": -0.12154363095760345, "repeats_pf": {"runs": 3, "values": [-1.4109, -1.4578, -1.5296], "mean": -1.4661, "spread": 0.1188}, "repeats_hs": {"runs": 3, "values": [-0.1883, -0.0768, -0.0996], "mean": -0.1215, "spread": 0.1115}, "at": 1787251057}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242226, "scored_at": 1787251057, "alerts": [], "rank": 621}, {"candidate_id": "ODC-6091AD", "res_at": 1786900539, "skeleton": "WACUGMILKYFMQZ", "hf_user": "choa712", "display_name": "LUCY-L7-08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 63.968, "axes": {"activity": 23.14, "binding": 16.65, "selectivity": 9.0, "admet": 6.12, "novelty": 5.29, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.988, "fraction": 0.771}, "binding": {"pIC50": 7.5, "LE": 0.467, "potency_term": 0.832, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.832}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.742, "ld50-zhu": 0.32, "herg": 0.89, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.988364775635711, "aff_pf": -1.497236967086792, "aff_hs": -0.4162858724594116, "repeats_pf": {"runs": 3, "values": [-1.4192, -1.6869, -1.3856], "mean": -1.4972, "spread": 0.3013}, "repeats_hs": {"runs": 3, "values": [-0.5013, -0.4614, -0.2862], "mean": -0.4163, "spread": 0.2151}, "at": 1786900539}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887436, "scored_at": 1786900539, "alerts": [], "rank": 622}, {"candidate_id": "ODC-12FFFC", "res_at": 1787150038, "skeleton": "PRVLROVLFPYUOI", "hf_user": "takutoyo", "display_name": "PfD8-A4", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 63.941, "axes": {"activity": 21.93, "binding": 17.19, "selectivity": 11.25, "admet": 5.08, "novelty": 5.24, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.916, "fraction": 0.731}, "binding": {"pIC50": 7.58, "LE": 0.433, "potency_term": 0.859, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.4, "selectivity_term": 0.654, "target_engagement": 0.859}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.747, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.488, "herg": 0.414, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.915819068381549, "aff_pf": -1.578381061553955, "aff_hs": -0.2697930286327998, "repeats_pf": {"runs": 3, "values": [-1.544, -1.5795, -1.6117], "mean": -1.5784, "spread": 0.0676}, "repeats_hs": {"runs": 3, "values": [-0.309, -0.1875, -0.3129], "mean": -0.2698, "spread": 0.1254}, "at": 1787150038}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147948, "scored_at": 1787150038, "alerts": [], "rank": 623}, {"candidate_id": "ODC-FF66C5", "res_at": 1787149844, "skeleton": "NMHCWQBEMQYYHH", "hf_user": "takutoyo", "display_name": "PfD8-A3", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 63.938, "axes": {"activity": 22.86, "binding": 16.61, "selectivity": 9.72, "admet": 6.23, "novelty": 5.37, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.971, "fraction": 0.762}, "binding": {"pIC50": 7.49, "LE": 0.428, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.355, "cyp3a4-substrate-carbonmangels": 0.39, "ld50-zhu": 0.503, "herg": 0.619, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.971497986935169, "aff_pf": -1.4915993611017864, "aff_hs": -0.321484496196111, "repeats_pf": {"runs": 3, "values": [-1.4023, -1.5488, -1.5237], "mean": -1.4916, "spread": 0.1464}, "repeats_hs": {"runs": 3, "values": [-0.3004, -0.4921, -0.1719], "mean": -0.3215, "spread": 0.3202}, "at": 1787149844}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147929, "scored_at": 1787149844, "alerts": [], "rank": 624}, {"candidate_id": "ODC-AA98DB", "res_at": 1786863708, "skeleton": "ADEHHHALEGLQHX", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 63.893, "axes": {"activity": 16.66, "binding": 18.42, "selectivity": 13.27, "admet": 7.18, "novelty": 4.28, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 5.6, "fraction": 0.555}, "binding": {"pIC50": 7.76, "LE": 0.462, "potency_term": 0.921, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.6, "selectivity_term": 0.72, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.549, "ld50-zhu": 0.436, "herg": 0.833, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.599892516244823, "aff_pf": -1.7636601130167644, "aff_hs": -0.32272646327813465, "repeats_pf": {"runs": 3, "values": [-1.7754, -1.7663, -1.7493], "mean": -1.7637, "spread": 0.0261}, "repeats_hs": {"runs": 3, "values": [-0.437, -0.1636, -0.3676], "mean": -0.3227, "spread": 0.2734}, "at": 1786863708}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856405, "scored_at": 1786863708, "alerts": [], "rank": 625}, {"candidate_id": "ODC-0D4177", "res_at": 1787406805, "skeleton": "CXVXIMQLRZXIKP", "hf_user": "takutoyo", "display_name": "PfD13-01", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 63.891, "axes": {"activity": 11.43, "binding": 19.35, "selectivity": 11.5, "admet": 11.79, "novelty": 6.64, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.286, "fraction": 0.381}, "binding": {"pIC50": 7.9, "LE": 0.451, "potency_term": 0.968, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.4, "selectivity_term": 0.594, "target_engagement": 0.968}, "admet": {"geometric_mean": 0.812, "per_endpoint": {"solubility-aqsoldb": 0.613, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.79, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.575, "herg": 1.0, "dili": 0.709}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.285883609567086, "aff_pf": -1.9028072754542034, "aff_hs": -0.7143627603848776, "repeats_pf": {"runs": 3, "values": [-1.9413, -1.8382, -1.9289], "mean": -1.9028, "spread": 0.1031}, "repeats_hs": {"runs": 3, "values": [-0.7295, -0.7371, -0.6765], "mean": -0.7144, "spread": 0.0606}, "at": 1787406805}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787406626, "scored_at": 1787406805, "rank": 626}, {"candidate_id": "ODC-3C5BCD", "res_at": 1787481679, "skeleton": "XAJVMPFBGCYIPY", "hf_user": "Ku-ku", "display_name": "KK-M-0823-34", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C1Cc2··········cc2C1", "total": 63.889, "axes": {"activity": 27.93, "binding": 13.9, "selectivity": 5.42, "admet": 6.9, "novelty": 6.07, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.276, "fraction": 0.931}, "binding": {"pIC50": 7.09, "LE": 0.388, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.581, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 0.723, "ld50-zhu": 0.389, "herg": 0.354, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.275905720343565, "aff_pf": -1.0853218237559001, "aff_hs": -0.30582523345947266, "repeats_pf": {"runs": 3, "values": [-1.0076, -1.1445, -1.1039], "mean": -1.0853, "spread": 0.1369}, "repeats_hs": {"runs": 3, "values": [-0.2105, -0.2815, -0.4254], "mean": -0.3058, "spread": 0.2149}, "at": 1787481679}, "tier": 1, "relegate_reason": [], "submitted_at": 1787480548, "scored_at": 1787481679, "alerts": [], "rank": 627}, {"candidate_id": "ODC-CF5DA1", "res_at": 1786843201, "skeleton": "ZXECZHLQMFSURU", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 63.861, "axes": {"activity": 13.07, "binding": 18.48, "selectivity": 18.38, "admet": 6.57, "novelty": 3.14, "synthesis": 4.22}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 7.77, "LE": 0.507, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 97.6, "selectivity_term": 0.995, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.897, "cyp2c9-veith": 0.334, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.341, "herg": 0.292, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.384142898557375, "aff_pf": -1.7717106342315674, "aff_hs": 0.21784745156764984, "repeats_pf": {"runs": 3, "values": [-1.7528, -1.776, -1.7863], "mean": -1.7717, "spread": 0.0335}, "repeats_hs": {"runs": 3, "values": [0.4072, 0.1168, 0.1296], "mean": 0.2178, "spread": 0.2903}, "at": 1786843201}, "tier": 1, "relegate_reason": [], "submitted_at": 1786810977, "scored_at": 1786843201, "alerts": [], "rank": 628}, {"candidate_id": "ODC-74B2FF", "res_at": 1788589276, "skeleton": "XAQFQMHNAPILNO", "hf_user": "Bio-JS", "display_name": "0905-S1-11 SCHF2/Br/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 63.859, "axes": {"activity": 21.13, "binding": 16.94, "selectivity": 11.85, "admet": 5.36, "novelty": 4.94, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.868, "fraction": 0.704}, "binding": {"pIC50": 7.54, "LE": 0.449, "potency_term": 0.847, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.1, "selectivity_term": 0.699, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.45, "ld50-zhu": 0.328, "herg": 0.841, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.867757300027933, "aff_pf": -1.5415465037027996, "aff_hs": -0.14255299915870032, "repeats_pf": {"runs": 3, "values": [-1.5686, -1.5121, -1.544], "mean": -1.5415, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [0.0743, -0.0641, -0.4379], "mean": -0.1426, "spread": 0.5123}, "at": 1788589276}, "tier": 1, "alerts": [], "total_sd": 1.114, "total_ci95": [61.557, 65.612], "relegate_reason": [], "submitted_at": 1788560085, "scored_at": 1788589276, "rank": 629}, {"candidate_id": "ODC-89E1E0", "res_at": 1787636215, "skeleton": "ZMLVSOAYJNVQAZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-G04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 63.848, "axes": {"activity": 30.0, "binding": 15.84, "selectivity": 2.09, "admet": 4.85, "novelty": 7.13, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.418, "fraction": 1.0}, "binding": {"pIC50": 7.55, "LE": 0.28, "potency_term": 0.85, "efficiency_cap": 0.932}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.85}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.083, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.4177200478227485, "aff_pf": -1.5502594709396362, "aff_hs": -1.304689645767212, "repeats_pf": {"runs": 3, "values": [-1.4912, -1.7255, -1.4341], "mean": -1.5503, "spread": 0.2914}, "repeats_hs": {"runs": 3, "values": [-1.2478, -1.3323, -1.334], "mean": -1.3047, "spread": 0.0862}, "at": 1787636215}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635187, "scored_at": 1787636215, "alerts": [], "rank": 630}, {"candidate_id": "ODC-A153EB", "res_at": 1786892959, "skeleton": "KNBBAOZRJLNPTC", "hf_user": "choa712", "display_name": "lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 63.846, "axes": {"activity": 24.09, "binding": 15.43, "selectivity": 9.91, "admet": 5.97, "novelty": 5.0, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 6.046, "fraction": 0.803}, "binding": {"pIC50": 7.31, "LE": 0.436, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.3, "selectivity_term": 0.642, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.328, "cyp3a4-substrate-carbonmangels": 0.469, "ld50-zhu": 0.416, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 6.04559896678601, "aff_pf": -1.314459005991618, "aff_hs": -0.0294756976266702, "repeats_pf": {"runs": 3, "values": [-1.342, -1.303, -1.2984], "mean": -1.3145, "spread": 0.0436}, "repeats_hs": {"runs": 3, "values": [0.0052, 0.0283, -0.1219], "mean": -0.0295, "spread": 0.1502}, "at": 1786892959}, "tier": 1, "relegate_reason": [], "submitted_at": 1786885311, "scored_at": 1786892959, "alerts": [], "rank": 631}, {"candidate_id": "ODC-E533D6", "res_at": 1787172960, "skeleton": "CVKOBVWLAIEFED", "hf_user": "1Dmeds", "display_name": "ODC26-FN-07", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 63.778, "axes": {"activity": 21.4, "binding": 16.91, "selectivity": 10.01, "admet": 6.14, "novelty": 5.59, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.884, "fraction": 0.713}, "binding": {"pIC50": 7.54, "LE": 0.469, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.3, "selectivity_term": 0.592, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.919, "ld50-zhu": 0.278, "herg": 0.862, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.883963399654773, "aff_pf": -1.536178986231486, "aff_hs": -0.3521624604860942, "repeats_pf": {"runs": 3, "values": [-1.4656, -1.484, -1.6589], "mean": -1.5362, "spread": 0.1933}, "repeats_hs": {"runs": 3, "values": [-0.3048, -0.4403, -0.3113], "mean": -0.3522, "spread": 0.1355}, "at": 1787172960}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171663, "scored_at": 1787172960, "alerts": [], "rank": 632}, {"candidate_id": "ODC-A0F423", "res_at": 1787461901, "skeleton": "GVFKUVOIJNTOAR", "hf_user": "Ku-ku", "display_name": "KK-M-0823-13", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 63.767, "axes": {"activity": 25.8, "binding": 16.69, "selectivity": 7.68, "admet": 5.11, "novelty": 4.85, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.148, "fraction": 0.86}, "binding": {"pIC50": 7.5, "LE": 0.428, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.773, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.732, "ld50-zhu": 0.313, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 6.14793683230949, "aff_pf": -1.5040401617685955, "aff_hs": -0.5840814113616943, "repeats_pf": {"runs": 3, "values": [-1.44, -1.5804, -1.4918], "mean": -1.504, "spread": 0.1404}, "repeats_hs": {"runs": 3, "values": [-0.4118, -0.6149, -0.7255], "mean": -0.5841, "spread": 0.3137}, "at": 1787461901}, "tier": 1, "relegate_reason": [], "submitted_at": 1787461559, "scored_at": 1787461901, "alerts": [], "rank": 633}, {"candidate_id": "ODC-8F255C", "res_at": 1787653834, "skeleton": "QNYUVIKPWHYEQX", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 63.755, "axes": {"activity": 28.72, "binding": 12.48, "selectivity": 5.44, "admet": 8.4, "novelty": 7.21, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 6.323, "fraction": 0.957}, "binding": {"pIC50": 6.87, "LE": 0.304, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.436, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.662, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.857, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 4.9}}, "run": {"gpu": "3", "pAct_q10": 6.323327896424693, "aff_pf": -0.872388998667399, "aff_hs": -0.0007876555124918619, "repeats_pf": {"runs": 3, "values": [-0.8623, -0.9374, -0.8175], "mean": -0.8724, "spread": 0.12}, "repeats_hs": {"runs": 3, "values": [-0.107, 0.1075, -0.0028], "mean": -0.0008, "spread": 0.2145}, "at": 1787653834}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648057, "scored_at": 1787653834, "alerts": [], "rank": 634}, {"candidate_id": "ODC-6204A0", "res_at": 1786913864, "skeleton": "WPOBIAMVZHXEGF", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 63.747, "axes": {"activity": 18.36, "binding": 17.46, "selectivity": 14.6, "admet": 5.57, "novelty": 3.9, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.701, "fraction": 0.612}, "binding": {"pIC50": 7.62, "LE": 0.454, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 47.0, "selectivity_term": 0.836, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.386, "ld50-zhu": 0.358, "herg": 0.724, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.701337458344902, "aff_pf": -1.6193760633468628, "aff_hs": 0.052954415480295815, "repeats_pf": {"runs": 3, "values": [-1.621, -1.604, -1.6332], "mean": -1.6194, "spread": 0.0292}, "repeats_hs": {"runs": 3, "values": [0.2001, 0.2213, -0.2626], "mean": 0.053, "spread": 0.4839}, "at": 1786913864}, "tier": 1, "relegate_reason": [], "submitted_at": 1786913688, "scored_at": 1786913864, "alerts": [], "rank": 635}, {"candidate_id": "ODC-2B97D6", "res_at": 1787720528, "skeleton": "CLXSBYMAWQVEON", "hf_user": "1Dmeds", "display_name": "ODC26-R2-16-SCHFMe", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 63.732, "axes": {"activity": 22.59, "binding": 18.29, "selectivity": 8.83, "admet": 4.61, "novelty": 6.32, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.955, "fraction": 0.753}, "binding": {"pIC50": 7.74, "LE": 0.303, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.437, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.721, "herg": 0.349, "dili": 0.195}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 5.955240379950771, "aff_pf": -1.7439479033152263, "aff_hs": -0.77802441517512, "repeats_pf": {"runs": 3, "values": [-1.8249, -1.705, -1.7019], "mean": -1.7439, "spread": 0.123}, "repeats_hs": {"runs": 3, "values": [-0.9125, -0.7378, -0.6838], "mean": -0.778, "spread": 0.2286}, "at": 1787720528}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717434, "scored_at": 1787720528, "alerts": [], "rank": 636}, {"candidate_id": "ODC-C54C6F", "res_at": 1789118641, "skeleton": "MITAJMMGCKZRRY", "hf_user": "Bio-JS", "display_name": "0911-S1-5pos_Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 63.721, "axes": {"activity": 13.86, "binding": 19.08, "selectivity": 15.93, "admet": 6.29, "novelty": 4.34, "synthesis": 4.23}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 7.86, "LE": 0.468, "potency_term": 0.954, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.7, "selectivity_term": 0.835, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.457, "herg": 0.524, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.431454854292202, "aff_pf": -1.8621641794840496, "aff_hs": -0.19276639322439829, "repeats_pf": {"runs": 3, "values": [-1.9108, -1.8221, -1.8535], "mean": -1.8622, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [-0.2035, -0.2279, -0.147], "mean": -0.1928, "spread": 0.0809}, "at": 1789118641}, "tier": 1, "alerts": [], "total_sd": 0.585, "total_ci95": [62.646, 64.857], "relegate_reason": [], "submitted_at": 1789117014, "scored_at": 1789118641, "rank": 637}, {"candidate_id": "ODC-6DB289", "res_at": 1789095455, "skeleton": "VRDNZJDBSDUJOW", "hf_user": "Ku-ku", "display_name": "KK-M-0911-530", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 63.712, "axes": {"activity": 27.51, "binding": 12.46, "selectivity": 10.29, "admet": 4.0, "novelty": 6.6, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.25, "fraction": 0.917}, "binding": {"pIC50": 6.87, "LE": 0.324, "potency_term": 0.623, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.9, "selectivity_term": 0.826, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.057, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.39, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 6.250438875511307, "aff_pf": -0.8685200611750284, "aff_hs": 0.7836518088976542, "repeats_pf": {"runs": 3, "values": [-0.8693, -0.8229, -0.9133], "mean": -0.8685, "spread": 0.0905}, "repeats_hs": {"runs": 3, "values": [0.7402, 0.9004, 0.7104], "mean": 0.7837, "spread": 0.19}, "at": 1789095455}, "tier": 1, "alerts": [], "total_sd": 0.498, "total_ci95": [62.833, 64.883], "relegate_reason": [], "submitted_at": 1789089366, "scored_at": 1789095455, "rank": 638}, {"candidate_id": "ODC-C26B16", "res_at": 1787645427, "skeleton": "RQBHPLCUGKDPQN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCC(=O··········F)CC1", "total": 63.699, "axes": {"activity": 27.95, "binding": 11.68, "selectivity": 6.31, "admet": 9.0, "novelty": 7.01, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 6.277, "fraction": 0.932}, "binding": {"pIC50": 6.75, "LE": 0.319, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.644, "per_endpoint": {"solubility-aqsoldb": 0.613, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.236, "ld50-zhu": 0.752, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 4.69}}, "run": {"gpu": "3", "pAct_q10": 6.27721623348693, "aff_pf": -0.7512751619021097, "aff_hs": 0.3302187422911326, "repeats_pf": {"runs": 3, "values": [-0.729, -0.9326, -0.5923], "mean": -0.7513, "spread": 0.3403}, "repeats_hs": {"runs": 3, "values": [0.3916, 0.2852, 0.3139], "mean": 0.3302, "spread": 0.1065}, "at": 1787645427}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641295, "scored_at": 1787645427, "alerts": [], "rank": 639}, {"candidate_id": "ODC-4C3382", "res_at": 1789400414, "skeleton": "LVJANKOTPAEUFM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 63.677, "axes": {"activity": 12.75, "binding": 17.77, "selectivity": 16.0, "admet": 8.12, "novelty": 6.1, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 7.66, "LE": 0.438, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.2, "selectivity_term": 0.9, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.583, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.505, "herg": 1.0, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.364832979726375, "aff_pf": -1.664885441462199, "aff_hs": 0.13592073818047842, "repeats_pf": {"runs": 3, "values": [-1.6651, -1.6714, -1.6582], "mean": -1.6649, "spread": 0.0132}, "repeats_hs": {"runs": 3, "values": [0.1727, 0.1918, 0.0433], "mean": 0.1359, "spread": 0.1485}, "at": 1789400414}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.36, "total_ci95": [62.976, 64.244], "relegate_reason": [], "submitted_at": 1789400204, "scored_at": 1789400414, "rank": 640}, {"candidate_id": "ODC-F59A5E", "res_at": 1788570969, "skeleton": "ORXKBENFACXPEF", "hf_user": "Bio-JS", "display_name": "0905-S1-03 SCHF2/Br/Me/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 63.636, "axes": {"activity": 23.96, "binding": 17.09, "selectivity": 9.21, "admet": 5.49, "novelty": 4.13, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.037, "fraction": 0.799}, "binding": {"pIC50": 7.56, "LE": 0.451, "potency_term": 0.854, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.539, "target_engagement": 0.854}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.342, "ld50-zhu": 0.322, "herg": 0.822, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 6.037383563265959, "aff_pf": -1.563139796257019, "aff_hs": -0.4856164554754893, "repeats_pf": {"runs": 3, "values": [-1.5976, -1.534, -1.5578], "mean": -1.5631, "spread": 0.0636}, "repeats_hs": {"runs": 3, "values": [-0.4572, -0.5352, -0.4645], "mean": -0.4856, "spread": 0.0779}, "at": 1788570969}, "tier": 1, "alerts": [], "total_sd": 0.398, "total_ci95": [62.918, 64.468], "relegate_reason": [], "submitted_at": 1788559862, "scored_at": 1788570969, "rank": 641}, {"candidate_id": "ODC-3E3AAC", "res_at": 1786924968, "skeleton": "GBHKVBBBHNADDM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 63.625, "axes": {"activity": 26.15, "binding": 15.37, "selectivity": 7.79, "admet": 5.68, "novelty": 5.21, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.169, "fraction": 0.872}, "binding": {"pIC50": 7.31, "LE": 0.371, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.475, "herg": 0.409, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.168861564308036, "aff_pf": -1.3056391874949138, "aff_hs": -0.2915148275593917, "repeats_pf": {"runs": 3, "values": [-1.264, -1.3057, -1.3473], "mean": -1.3056, "spread": 0.0833}, "repeats_hs": {"runs": 3, "values": [-0.3689, -0.4637, -0.0419], "mean": -0.2915, "spread": 0.4218}, "at": 1786924968}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922444, "scored_at": 1786924968, "alerts": [], "rank": 642}, {"candidate_id": "ODC-7DF216", "res_at": 1787636801, "skeleton": "MSLYQPHBMJXHLQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F05", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········F)CC1", "total": 63.625, "axes": {"activity": 27.58, "binding": 17.02, "selectivity": 4.52, "admet": 4.98, "novelty": 6.48, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 6.255, "fraction": 0.919}, "binding": {"pIC50": 7.58, "LE": 0.297, "potency_term": 0.86, "efficiency_cap": 0.989}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.059, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.797, "herg": 0.498, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 6.255093266819327, "aff_pf": -1.5814134279886882, "aff_hs": -1.0559396942456563, "repeats_pf": {"runs": 3, "values": [-1.4659, -1.6048, -1.6736], "mean": -1.5814, "spread": 0.2077}, "repeats_hs": {"runs": 3, "values": [-1.1189, -1.2113, -0.8376], "mean": -1.0559, "spread": 0.3737}, "at": 1787636801}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635206, "scored_at": 1787636801, "alerts": [], "rank": 643}, {"candidate_id": "ODC-EE24D6", "res_at": 1787013717, "skeleton": "FRKPRTCXALMNHR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········)CCC1", "total": 63.613, "axes": {"activity": 26.15, "binding": 11.98, "selectivity": 10.44, "admet": 5.4, "novelty": 6.16, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.169, "fraction": 0.872}, "binding": {"pIC50": 6.98, "LE": 0.273, "potency_term": 0.658, "efficiency_cap": 0.91}, "selectivity": {"fold": 38.5, "selectivity_term": 0.793, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.553, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.45, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.715, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.169277326837023, "aff_pf": -0.9752692580223083, "aff_hs": 0.6102474331855774, "repeats_pf": {"runs": 3, "values": [-0.9522, -0.9504, -1.0232], "mean": -0.9753, "spread": 0.0728}, "repeats_hs": {"runs": 3, "values": [0.6255, 0.7128, 0.4924], "mean": 0.6102, "spread": 0.2204}, "at": 1787013717}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013529, "scored_at": 1787013717, "alerts": [], "rank": 644}, {"candidate_id": "ODC-6CBC98", "res_at": 1787521276, "skeleton": "KJRPTKVNROXWCT", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 63.603, "axes": {"activity": 21.26, "binding": 16.89, "selectivity": 11.9, "admet": 5.63, "novelty": 4.29, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.875, "fraction": 0.709}, "binding": {"pIC50": 7.53, "LE": 0.43, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.705, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.419, "herg": 0.562, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.875497209832962, "aff_pf": -1.5337340434392293, "aff_hs": -0.1247305969397227, "repeats_pf": {"runs": 3, "values": [-1.523, -1.514, -1.5642], "mean": -1.5337, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [-0.1159, -0.193, -0.0653], "mean": -0.1247, "spread": 0.1277}, "at": 1787521276}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520501, "scored_at": 1787521276, "alerts": [], "rank": 645}, {"candidate_id": "ODC-444D14", "res_at": 1788821519, "skeleton": "RNJUFGPNDXAULG", "hf_user": "Ku-ku", "display_name": "KK-M-0907-667", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 63.599, "axes": {"activity": 29.96, "binding": 9.42, "selectivity": 8.85, "admet": 4.77, "novelty": 6.87, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 6.398, "fraction": 0.999}, "binding": {"pIC50": 6.44, "LE": 0.294, "potency_term": 0.481, "efficiency_cap": 0.981}, "selectivity": {"fold": 69.5, "selectivity_term": 0.921, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.073, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.603, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 6.397842609067434, "aff_pf": -0.4415520230929057, "aff_hs": 1.4003309806187947, "repeats_pf": {"runs": 3, "values": [-0.4409, -0.422, -0.4618], "mean": -0.4416, "spread": 0.0398}, "repeats_hs": {"runs": 3, "values": [1.4594, 1.4254, 1.3163], "mean": 1.4003, "spread": 0.1431}, "at": 1788821519}, "tier": 1, "alerts": [], "total_sd": 0.25, "total_ci95": [63.121, 64.106], "relegate_reason": [], "submitted_at": 1788786667, "scored_at": 1788821519, "rank": 646}, {"candidate_id": "ODC-0BA6CF", "res_at": 1787642374, "skeleton": "AAFACBZQALUGKB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F12", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 63.574, "axes": {"activity": 23.81, "binding": 17.87, "selectivity": 7.73, "admet": 4.49, "novelty": 6.13, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 6.029, "fraction": 0.794}, "binding": {"pIC50": 7.68, "LE": 0.301, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.432, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.735, "herg": 0.145, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.02854967410643, "aff_pf": -1.6799016793568928, "aff_hs": -0.815043310324351, "repeats_pf": {"runs": 3, "values": [-1.7049, -1.6047, -1.7301], "mean": -1.6799, "spread": 0.1254}, "repeats_hs": {"runs": 3, "values": [-0.8529, -0.8016, -0.7906], "mean": -0.815, "spread": 0.0623}, "at": 1787642374}, "tier": 1, "relegate_reason": [], "submitted_at": 1787638737, "scored_at": 1787642374, "alerts": [], "rank": 647}, {"candidate_id": "ODC-15492D", "res_at": 1787411680, "skeleton": "VRNQKZLWGBOABP", "hf_user": "takutoyo", "display_name": "PfD14-03", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 63.572, "axes": {"activity": 13.0, "binding": 18.07, "selectivity": 14.04, "admet": 9.5, "novelty": 6.21, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.38, "fraction": 0.433}, "binding": {"pIC50": 7.71, "LE": 0.44, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.8, "selectivity_term": 0.777, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.701, "per_endpoint": {"solubility-aqsoldb": 0.641, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.8, "ld50-zhu": 0.583, "herg": 1.0, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.86}}, "run": {"gpu": "3", "pAct_q10": 5.379743612332676, "aff_pf": -1.7104117472966511, "aff_hs": -0.15644561251004538, "repeats_pf": {"runs": 3, "values": [-1.7539, -1.6306, -1.7468], "mean": -1.7104, "spread": 0.1233}, "repeats_hs": {"runs": 3, "values": [-0.2838, -0.024, -0.1616], "mean": -0.1564, "spread": 0.2598}, "at": 1787411680}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787407936, "scored_at": 1787411680, "rank": 648}, {"candidate_id": "ODC-0B407A", "res_at": 1788546873, "skeleton": "YEPIQYPPZRTPOR", "hf_user": "1Dmeds", "display_name": "ODC26-S1D08", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCN(C)··········CCCC1", "total": 63.56, "axes": {"activity": 28.62, "binding": 12.48, "selectivity": 7.22, "admet": 4.73, "novelty": 6.85, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.317, "fraction": 0.954}, "binding": {"pIC50": 7.17, "LE": 0.259, "potency_term": 0.724, "efficiency_cap": 0.862}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.785, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.706, "herg": 0.134, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.316935588303296, "aff_pf": -1.1720470984776814, "aff_hs": -0.17507862548033395, "repeats_pf": {"runs": 3, "values": [-1.1833, -1.1646, -1.1683], "mean": -1.172, "spread": 0.0187}, "repeats_hs": {"runs": 3, "values": [-0.1344, -0.2604, -0.1305], "mean": -0.1751, "spread": 0.1298}, "at": 1788546873}, "tier": 1, "alerts": [], "total_sd": 0.258, "total_ci95": [63.113, 63.987], "relegate_reason": [], "submitted_at": 1788517784, "scored_at": 1788546873, "rank": 649}, {"candidate_id": "ODC-695071", "res_at": 1787578766, "skeleton": "MRGHAWNFRGXYTG", "hf_user": "Ku-ku", "display_name": "KK-M-0824-41", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 63.549, "axes": {"activity": 25.52, "binding": 16.79, "selectivity": 7.28, "admet": 5.7, "novelty": 4.53, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.131, "fraction": 0.851}, "binding": {"pIC50": 7.52, "LE": 0.412, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.433, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.41, "ld50-zhu": 0.503, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 6.131158126334748, "aff_pf": -1.5190502802530925, "aff_hs": -0.6522777477900187, "repeats_pf": {"runs": 3, "values": [-1.5573, -1.5532, -1.4466], "mean": -1.5191, "spread": 0.1108}, "repeats_hs": {"runs": 3, "values": [-0.3887, -0.8616, -0.7066], "mean": -0.6523, "spread": 0.4729}, "at": 1787578766}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578560, "scored_at": 1787578766, "alerts": [], "rank": 650}, {"candidate_id": "ODC-4F2351", "res_at": 1787412063, "skeleton": "VQVCGVYEULIHCN", "hf_user": "takutoyo", "display_name": "PfD14-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 63.548, "axes": {"activity": 11.87, "binding": 18.86, "selectivity": 13.63, "admet": 10.32, "novelty": 5.91, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 7.83, "LE": 0.466, "potency_term": 0.943, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.9, "selectivity_term": 0.723, "target_engagement": 0.943}, "admet": {"geometric_mean": 0.729, "per_endpoint": {"solubility-aqsoldb": 0.649, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.931, "ld50-zhu": 0.601, "herg": 0.986, "dili": 0.214}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "3", "pAct_q10": 5.312441518056304, "aff_pf": -1.8287561734517415, "aff_hs": -0.3836825390656789, "repeats_pf": {"runs": 3, "values": [-1.8269, -1.8377, -1.8217], "mean": -1.8288, "spread": 0.0161}, "repeats_hs": {"runs": 3, "values": [-0.5739, -0.288, -0.2891], "mean": -0.3837, "spread": 0.286}, "at": 1787412063}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787407990, "scored_at": 1787412063, "rank": 651}, {"candidate_id": "ODC-66D4CB", "res_at": 1787039212, "skeleton": "CLSYMUVPNGVSQP", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 63.54, "axes": {"activity": 15.39, "binding": 17.6, "selectivity": 16.25, "admet": 4.83, "novelty": 5.6, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.524, "fraction": 0.513}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.88, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.2, "selectivity_term": 0.923, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.284, "cyp2c9-veith": 0.368, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.571, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.523683766244018, "aff_pf": -1.6402650674184163, "aff_hs": 0.2059168815612793, "repeats_pf": {"runs": 3, "values": [-1.617, -1.621, -1.6828], "mean": -1.6403, "spread": 0.0659}, "repeats_hs": {"runs": 3, "values": [0.1789, 0.2454, 0.1935], "mean": 0.2059, "spread": 0.0665}, "at": 1787039212}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035805, "scored_at": 1787039212, "alerts": [], "rank": 652}, {"candidate_id": "ODC-2E280B", "res_at": 1789328773, "skeleton": "XEXNLAJKSRUMBZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCOc1cc··········)cc1F", "total": 63.526, "axes": {"activity": 23.14, "binding": 16.71, "selectivity": 9.23, "admet": 5.71, "novelty": 5.19, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.988, "fraction": 0.771}, "binding": {"pIC50": 7.51, "LE": 0.411, "potency_term": 0.836, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.552, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.991, "ld50-zhu": 0.406, "herg": 0.354, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.98824507748073, "aff_pf": -1.5067132711410522, "aff_hs": -0.4022863656282425, "repeats_pf": {"runs": 3, "values": [-1.5017, -1.4549, -1.5636], "mean": -1.5067, "spread": 0.1087}, "repeats_hs": {"runs": 3, "values": [0.0065, -0.4813, -0.7321], "mean": -0.4023, "spread": 0.7385}, "at": 1789328773}, "tier": 1, "alerts": [], "total_sd": 1.685, "total_ci95": [60.982, 66.942], "relegate_reason": [], "submitted_at": 1789318569, "scored_at": 1789328773, "rank": 653}, {"candidate_id": "ODC-A1404A", "res_at": 1787412676, "skeleton": "MKTGCOQSVCGFFC", "hf_user": "takutoyo", "display_name": "PfD14-08", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC[Se]c··········)n2n1", "total": 63.515, "axes": {"activity": 10.3, "binding": 19.36, "selectivity": 13.34, "admet": 11.28, "novelty": 5.96, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.218, "fraction": 0.343}, "binding": {"pIC50": 7.9, "LE": 0.471, "potency_term": 0.968, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.9, "selectivity_term": 0.689, "target_engagement": 0.968}, "admet": {"geometric_mean": 0.777, "per_endpoint": {"solubility-aqsoldb": 0.59, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.878, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.593, "herg": 0.844, "dili": 0.472}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 5.21816947116754, "aff_pf": -1.9037481546401978, "aff_hs": -0.5254161258538564, "repeats_pf": {"runs": 3, "values": [-1.8943, -1.8717, -1.9452], "mean": -1.9037, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [-0.4844, -0.6305, -0.4614], "mean": -0.5254, "spread": 0.1691}, "at": 1787412676}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408033, "scored_at": 1787412676, "rank": 654}, {"candidate_id": "ODC-09CD65", "res_at": 1788561480, "skeleton": "YSEHWOJOHCOLSZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D03", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 63.484, "axes": {"activity": 22.18, "binding": 16.58, "selectivity": 11.55, "admet": 3.97, "novelty": 6.01, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.931, "fraction": 0.739}, "binding": {"pIC50": 7.64, "LE": 0.283, "potency_term": 0.879, "efficiency_cap": 0.943}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.304, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.14}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.93083477386853, "aff_pf": -1.6383052269617717, "aff_hs": -0.32494304577509564, "repeats_pf": {"runs": 3, "values": [-1.5432, -1.5933, -1.7784], "mean": -1.6383, "spread": 0.2352}, "repeats_hs": {"runs": 3, "values": [-0.4111, -0.2207, -0.343], "mean": -0.3249, "spread": 0.1904}, "at": 1788561480}, "tier": 1, "alerts": [], "total_sd": 1.739, "total_ci95": [60.639, 67.549], "relegate_reason": [], "submitted_at": 1788522770, "scored_at": 1788561480, "rank": 655}, {"candidate_id": "ODC-E5C17F", "res_at": 1787406583, "skeleton": "NTHSRJHURJFAQJ", "hf_user": "Ku-ku", "display_name": "M6_ringF_4I3F", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1F", "total": 63.478, "axes": {"activity": 18.77, "binding": 16.96, "selectivity": 12.89, "admet": 5.62, "novelty": 5.74, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.726, "fraction": 0.626}, "binding": {"pIC50": 7.54, "LE": 0.431, "potency_term": 0.848, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.1, "selectivity_term": 0.76, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.349, "herg": 0.535, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.72620510190401, "aff_pf": -1.5446312427520752, "aff_hs": -0.024862478176752727, "repeats_pf": {"runs": 3, "values": [-1.5728, -1.481, -1.5801], "mean": -1.5446, "spread": 0.0991}, "repeats_hs": {"runs": 3, "values": [-0.1565, -0.1479, 0.2298], "mean": -0.0249, "spread": 0.3863}, "at": 1787406583}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406183, "scored_at": 1787406583, "alerts": [], "rank": 656}, {"candidate_id": "ODC-81B19B", "res_at": 1786987318, "skeleton": "BJOCMCREQADPNN", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCNC··········)CCC1", "total": 63.388, "axes": {"activity": 16.04, "binding": 19.09, "selectivity": 15.01, "admet": 3.99, "novelty": 5.35, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 5.562, "fraction": 0.535}, "binding": {"pIC50": 7.86, "LE": 0.308, "potency_term": 0.955, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.4, "selectivity_term": 0.786, "target_engagement": 0.955}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.483, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.9, "herg": 0.05, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.562130244741914, "aff_pf": -1.8641088008880615, "aff_hs": -0.2917165656884511, "repeats_pf": {"runs": 3, "values": [-1.9076, -1.8661, -1.8186], "mean": -1.8641, "spread": 0.089}, "repeats_hs": {"runs": 3, "values": [-0.4648, -0.0722, -0.3382], "mean": -0.2917, "spread": 0.3926}, "at": 1786987318}, "tier": 1, "relegate_reason": [], "submitted_at": 1786981893, "scored_at": 1786987318, "alerts": [], "rank": 657}, {"candidate_id": "ODC-FA31DE", "res_at": 1786924431, "skeleton": "KGPXEUDELQDZPC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 63.381, "axes": {"activity": 21.3, "binding": 14.88, "selectivity": 14.88, "admet": 4.77, "novelty": 4.58, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.878, "fraction": 0.71}, "binding": {"pIC50": 7.23, "LE": 0.413, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 205.1, "selectivity_term": 1.0, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.45, "herg": 0.658, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.877973435739326, "aff_pf": -1.2319708665211995, "aff_hs": 1.0799756447474163, "repeats_pf": {"runs": 3, "values": [-1.2506, -1.1988, -1.2466], "mean": -1.232, "spread": 0.0518}, "repeats_hs": {"runs": 3, "values": [1.0211, 1.0587, 1.1602], "mean": 1.08, "spread": 0.1391}, "at": 1786924431}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922427, "scored_at": 1786924431, "alerts": [], "rank": 658}, {"candidate_id": "ODC-420CDD", "res_at": 1787412257, "skeleton": "PECHANDAYVSAKY", "hf_user": "takutoyo", "display_name": "PfD14-06", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 63.371, "axes": {"activity": 10.76, "binding": 18.68, "selectivity": 14.59, "admet": 10.09, "novelty": 6.42, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.246, "fraction": 0.359}, "binding": {"pIC50": 7.8, "LE": 0.465, "potency_term": 0.934, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.5, "selectivity_term": 0.781, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.72, "per_endpoint": {"solubility-aqsoldb": 0.659, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.601, "herg": 1.0, "dili": 0.204}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "3", "pAct_q10": 5.2457584605396335, "aff_pf": -1.8015742699305217, "aff_hs": -0.23914308845996857, "repeats_pf": {"runs": 3, "values": [-1.8347, -1.7732, -1.7968], "mean": -1.8016, "spread": 0.0615}, "repeats_hs": {"runs": 3, "values": [-0.1312, -0.4985, -0.0878], "mean": -0.2391, "spread": 0.4107}, "at": 1787412257}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408007, "scored_at": 1787412257, "rank": 659}, {"candidate_id": "ODC-826A42", "res_at": 1788097264, "skeleton": "IETICUZDUBOVCN", "hf_user": "Ku-ku", "display_name": "KK-M-0830-040", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 63.341, "axes": {"activity": 26.85, "binding": 11.7, "selectivity": 8.37, "admet": 7.42, "novelty": 6.01, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 6.211, "fraction": 0.895}, "binding": {"pIC50": 6.76, "LE": 0.343, "potency_term": 0.585, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.9, "selectivity_term": 0.715, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 0.611, "ld50-zhu": 0.57, "herg": 0.158, "dili": 0.236}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 6.210785339931367, "aff_pf": -0.7550063133239746, "aff_hs": 0.675069252649943, "repeats_pf": {"runs": 3, "values": [-0.7206, -0.7243, -0.8201], "mean": -0.755, "spread": 0.0995}, "repeats_hs": {"runs": 3, "values": [0.7021, 0.6427, 0.6804], "mean": 0.6751, "spread": 0.0594}, "at": 1788097264}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.486, "total_ci95": [62.678, 64.557], "relegate_reason": [], "submitted_at": 1788095894, "scored_at": 1788097264, "rank": 660}, {"candidate_id": "ODC-FCF690", "res_at": 1787201985, "skeleton": "KBLDAAHCLHCSMH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 63.336, "axes": {"activity": 22.37, "binding": 16.43, "selectivity": 10.35, "admet": 6.2, "novelty": 4.25, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.942, "fraction": 0.746}, "binding": {"pIC50": 7.46, "LE": 0.445, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.2, "selectivity_term": 0.63, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.566, "ld50-zhu": 0.348, "herg": 0.873, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.942306893397172, "aff_pf": -1.4648261467615764, "aff_hs": -0.20494713385899863, "repeats_pf": {"runs": 3, "values": [-1.4707, -1.4628, -1.4609], "mean": -1.4648, "spread": 0.0098}, "repeats_hs": {"runs": 3, "values": [-0.1571, -0.2081, -0.2496], "mean": -0.2049, "spread": 0.0925}, "at": 1787201985}, "tier": 1, "relegate_reason": [], "submitted_at": 1787199370, "scored_at": 1787201985, "alerts": [], "rank": 661}, {"candidate_id": "ODC-7110CD", "res_at": 1787964944, "skeleton": "BPJHKBZMYFCUHH", "hf_user": "Ku-ku", "display_name": "KK-M-0829-445", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 63.33, "axes": {"activity": 30.0, "binding": 13.0, "selectivity": 4.17, "admet": 5.63, "novelty": 6.81, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.519, "fraction": 1.0}, "binding": {"pIC50": 6.95, "LE": 0.34, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.321, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.916, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.185, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 6.519163149189181, "aff_pf": -0.9504255851109823, "aff_hs": -0.30828796823819477, "repeats_pf": {"runs": 3, "values": [-0.9031, -0.8794, -1.0687], "mean": -0.9504, "spread": 0.1893}, "repeats_hs": {"runs": 3, "values": [-0.5821, -0.0707, -0.272], "mean": -0.3083, "spread": 0.5114}, "at": 1787964944}, "tier": 1, "relegate_reason": [], "submitted_at": 1787964448, "scored_at": 1787964944, "alerts": [], "rank": 662}, {"candidate_id": "ODC-52B160", "res_at": 1788050821, "skeleton": "YDPUVJSGGLAYFC", "hf_user": "Ku-ku", "display_name": "KK-M-0829-410", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 63.323, "axes": {"activity": 20.55, "binding": 18.09, "selectivity": 11.29, "admet": 4.03, "novelty": 6.76, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.833, "fraction": 0.685}, "binding": {"pIC50": 7.71, "LE": 0.391, "potency_term": 0.905, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.914, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.49, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.98}}, "run": {"gpu": "3", "pAct_q10": 5.833006911684492, "aff_pf": -1.714213490486145, "aff_hs": -0.4666823148727417, "repeats_pf": {"runs": 3, "values": [-1.7172, -1.7215, -1.7039], "mean": -1.7142, "spread": 0.0175}, "repeats_hs": {"runs": 3, "values": [-0.5979, -0.6363, -0.1659], "mean": -0.4667, "spread": 0.4704}, "at": 1788050821}, "tier": 1, "alerts": [], "total_sd": 1.148, "total_ci95": [61.68, 66.044], "relegate_reason": [], "submitted_at": 1787992179, "scored_at": 1788050821, "rank": 663}, {"candidate_id": "ODC-2C13CB", "res_at": 1788582531, "skeleton": "NCVBTIUIPTZFBF", "hf_user": "1Dmeds", "display_name": "ODC26-S1D30", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 63.314, "axes": {"activity": 27.43, "binding": 12.35, "selectivity": 9.1, "admet": 4.49, "novelty": 6.73, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 6.246, "fraction": 0.914}, "binding": {"pIC50": 7.07, "LE": 0.269, "potency_term": 0.689, "efficiency_cap": 0.896}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.361, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.374, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 6.245707569932133, "aff_pf": -1.0665644605954487, "aff_hs": 0.25430129561573267, "repeats_pf": {"runs": 3, "values": [-1.083, -0.9863, -1.1304], "mean": -1.0666, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [0.2398, 0.0146, 0.5085], "mean": 0.2543, "spread": 0.4939}, "at": 1788582531}, "tier": 1, "alerts": [], "total_sd": 1.08, "total_ci95": [61.302, 65.71], "relegate_reason": [], "submitted_at": 1788555582, "scored_at": 1788582531, "rank": 664}, {"candidate_id": "ODC-3852E4", "res_at": 1788223972, "skeleton": "QIPPXTGOOZMRCP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-H05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 63.263, "axes": {"activity": 30.0, "binding": 12.97, "selectivity": 4.51, "admet": 4.64, "novelty": 6.99, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.457, "fraction": 1.0}, "binding": {"pIC50": 7.19, "LE": 0.266, "potency_term": 0.73, "efficiency_cap": 0.888}, "selectivity": {"fold": 4.1, "selectivity_term": 0.309, "target_engagement": 0.73}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.604, "herg": 0.229, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 6.457052027409907, "aff_pf": -1.1913312673568726, "aff_hs": -0.5741163392861685, "repeats_pf": {"runs": 3, "values": [-1.1984, -1.1612, -1.2143], "mean": -1.1913, "spread": 0.0531}, "repeats_hs": {"runs": 3, "values": [-0.8647, -0.1599, -0.6977], "mean": -0.5741, "spread": 0.7048}, "at": 1788223972}, "tier": 1, "alerts": [], "total_sd": 1.339, "total_ci95": [61.06, 66.288], "relegate_reason": [], "submitted_at": 1788165642, "scored_at": 1788223972, "rank": 665}, {"candidate_id": "ODC-93FFDD", "res_at": 1787174107, "skeleton": "UMVVRFJOFRDJSH", "hf_user": "1Dmeds", "display_name": "ODC26-FN-13", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 63.262, "axes": {"activity": 21.98, "binding": 16.86, "selectivity": 8.71, "admet": 6.5, "novelty": 5.35, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 7.53, "LE": 0.469, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.388, "cyp3a4-substrate-carbonmangels": 0.516, "ld50-zhu": 0.335, "herg": 0.827, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.9187464324245305, "aff_pf": -1.5291837851206462, "aff_hs": -0.4956599374612172, "repeats_pf": {"runs": 3, "values": [-1.5369, -1.4491, -1.6015], "mean": -1.5292, "spread": 0.1524}, "repeats_hs": {"runs": 3, "values": [-0.4912, -0.4011, -0.5947], "mean": -0.4957, "spread": 0.1936}, "at": 1787174107}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171716, "scored_at": 1787174107, "alerts": [], "rank": 666}, {"candidate_id": "ODC-254B83", "res_at": 1786911965, "skeleton": "IYTDYAURVWVCOS", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 63.249, "axes": {"activity": 21.01, "binding": 17.27, "selectivity": 11.34, "admet": 4.64, "novelty": 5.55, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.861, "fraction": 0.7}, "binding": {"pIC50": 7.59, "LE": 0.385, "potency_term": 0.864, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.656, "target_engagement": 0.864}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.931, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.414, "ld50-zhu": 0.554, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "2", "pAct_q10": 5.860514115158396, "aff_pf": -1.5910715262095134, "aff_hs": -0.2785588850577672, "repeats_pf": {"runs": 3, "values": [-1.6176, -1.64, -1.5156], "mean": -1.5911, "spread": 0.1244}, "repeats_hs": {"runs": 3, "values": [-0.2112, -0.2807, -0.3438], "mean": -0.2786, "spread": 0.1326}, "at": 1786911965}, "tier": 1, "relegate_reason": [], "submitted_at": 1786911782, "scored_at": 1786911965, "alerts": [], "rank": 667}, {"candidate_id": "ODC-5FBA1C", "res_at": 1786899375, "skeleton": "XXJCEEUQVWHDNM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 63.247, "axes": {"activity": 17.6, "binding": 16.85, "selectivity": 16.85, "admet": 3.29, "novelty": 5.06, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.656, "fraction": 0.587}, "binding": {"pIC50": 7.53, "LE": 0.333, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 200.5, "selectivity_term": 1.0, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.499, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.655917316170034, "aff_pf": -1.528222918510437, "aff_hs": 0.7739335894584656, "repeats_pf": {"runs": 3, "values": [-1.5594, -1.4735, -1.5518], "mean": -1.5282, "spread": 0.0859}, "repeats_hs": {"runs": 3, "values": [0.7204, 0.8455, 0.7558], "mean": 0.7739, "spread": 0.1251}, "at": 1786899375}, "tier": 1, "relegate_reason": [], "submitted_at": 1786896799, "scored_at": 1786899375, "alerts": [], "rank": 668}, {"candidate_id": "ODC-9E94A2", "res_at": 1789096063, "skeleton": "JRLSTAPUQWXCGS", "hf_user": "Ku-ku", "display_name": "KK-M-0911-046", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 63.231, "axes": {"activity": 26.01, "binding": 12.88, "selectivity": 11.76, "admet": 3.74, "novelty": 6.24, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 6.161, "fraction": 0.867}, "binding": {"pIC50": 6.93, "LE": 0.327, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.1, "selectivity_term": 0.913, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.496, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.456, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 0.414, "ld50-zhu": 0.525, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.91}}, "run": {"gpu": "0", "pAct_q10": 6.16070135061584, "aff_pf": -0.9322476983070374, "aff_hs": 0.894333024819692, "repeats_pf": {"runs": 3, "values": [-0.9456, -0.8533, -0.9978], "mean": -0.9322, "spread": 0.1445}, "repeats_hs": {"runs": 3, "values": [0.9038, 0.9409, 0.8383], "mean": 0.8943, "spread": 0.1026}, "at": 1789096063}, "tier": 1, "alerts": [], "total_sd": 0.706, "total_ci95": [61.795, 64.421], "relegate_reason": [], "submitted_at": 1789089369, "scored_at": 1789096063, "rank": 669}, {"candidate_id": "ODC-050C14", "res_at": 1786905645, "skeleton": "XTFVTEKWRIOPNW", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 63.184, "axes": {"activity": 11.82, "binding": 18.19, "selectivity": 18.19, "admet": 5.8, "novelty": 5.18, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 7.73, "LE": 0.481, "potency_term": 0.91, "efficiency_cap": 1.0}, "selectivity": {"fold": 166.0, "selectivity_term": 1.0, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.989, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.335, "herg": 0.375, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.309274868953021, "aff_pf": -1.7289330959320068, "aff_hs": 0.4910644590854645, "repeats_pf": {"runs": 3, "values": [-1.767, -1.7245, -1.6953], "mean": -1.7289, "spread": 0.0717}, "repeats_hs": {"runs": 3, "values": [0.5027, 0.5257, 0.4448], "mean": 0.4911, "spread": 0.0808}, "at": 1786905645}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892578, "scored_at": 1786905645, "alerts": [], "rank": 670}, {"candidate_id": "ODC-341417", "res_at": 1786936676, "skeleton": "KJTXPRSDVYYOPF", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 63.177, "axes": {"activity": 17.09, "binding": 17.89, "selectivity": 14.61, "admet": 5.54, "novelty": 4.15, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.625, "fraction": 0.57}, "binding": {"pIC50": 7.68, "LE": 0.439, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.0, "selectivity_term": 0.817, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.456, "ld50-zhu": 0.541, "herg": 0.697, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.625151750501527, "aff_pf": -1.683685064315796, "aff_hs": -0.05058576911687851, "repeats_pf": {"runs": 3, "values": [-1.6451, -1.7122, -1.6938], "mean": -1.6837, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [-0.0163, -0.0617, -0.0738], "mean": -0.0506, "spread": 0.0575}, "at": 1786936676}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926439, "scored_at": 1786936676, "alerts": [], "rank": 671}, {"candidate_id": "ODC-5B96F3", "res_at": 1786903596, "skeleton": "BXBURJJBIKPKOX", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 63.169, "axes": {"activity": 23.28, "binding": 15.61, "selectivity": 10.28, "admet": 5.93, "novelty": 4.86, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.997, "fraction": 0.776}, "binding": {"pIC50": 7.34, "LE": 0.437, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.8, "selectivity_term": 0.659, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.521, "ld50-zhu": 0.466, "herg": 0.777, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.996949248443908, "aff_pf": -1.341803789138794, "aff_hs": -0.024638452877600987, "repeats_pf": {"runs": 3, "values": [-1.338, -1.3552, -1.3322], "mean": -1.3418, "spread": 0.0231}, "repeats_hs": {"runs": 3, "values": [0.0578, -0.0864, -0.0453], "mean": -0.0246, "spread": 0.1442}, "at": 1786903596}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900923, "scored_at": 1786903596, "alerts": [], "rank": 672}, {"candidate_id": "ODC-A0B4A8", "res_at": 1787023658, "skeleton": "PFZZQCHHVNIHFY", "hf_user": "takutoyo", "display_name": "PfD5-A1", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 63.163, "axes": {"activity": 22.3, "binding": 16.02, "selectivity": 10.68, "admet": 5.81, "novelty": 5.13, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.938, "fraction": 0.743}, "binding": {"pIC50": 7.4, "LE": 0.423, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.6, "selectivity_term": 0.667, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.99, "ld50-zhu": 0.378, "herg": 0.695, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.9380105117142215, "aff_pf": -1.402532935142517, "aff_hs": -0.06882789234320323, "repeats_pf": {"runs": 3, "values": [-1.4722, -1.2528, -1.4827], "mean": -1.4025, "spread": 0.2299}, "repeats_hs": {"runs": 3, "values": [0.0004, -0.1892, -0.0177], "mean": -0.0688, "spread": 0.1896}, "at": 1787023658}, "tier": 1, "relegate_reason": [], "submitted_at": 1787022991, "scored_at": 1787023658, "alerts": [], "rank": 673}, {"candidate_id": "ODC-7E1375", "res_at": 1786959857, "skeleton": "VMASOKZMAWJWIS", "hf_user": "PhD-Shin", "display_name": "PhD-Shin A6", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 63.159, "axes": {"activity": 20.52, "binding": 16.51, "selectivity": 13.0, "admet": 5.68, "novelty": 3.82, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.831, "fraction": 0.684}, "binding": {"pIC50": 7.48, "LE": 0.427, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.6, "selectivity_term": 0.788, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.299, "herg": 0.581, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.831033496720218, "aff_pf": -1.4761178493499756, "aff_hs": 0.09889355301856995, "repeats_pf": {"runs": 3, "values": [-1.4303, -1.6341, -1.364], "mean": -1.4761, "spread": 0.2701}, "repeats_hs": {"runs": 3, "values": [0.0308, 0.4355, -0.1696], "mean": 0.0989, "spread": 0.6052}, "at": 1786959857}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958968, "scored_at": 1786959857, "alerts": [], "rank": 674}, {"candidate_id": "ODC-39A562", "res_at": 1786960040, "skeleton": "UDBQJKUSNNXPGO", "hf_user": "PhD-Shin", "display_name": "PhD-Shin A3b", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········3)cc1", "total": 63.142, "axes": {"activity": 24.04, "binding": 15.75, "selectivity": 9.61, "admet": 5.81, "novelty": 4.29, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.042, "fraction": 0.801}, "binding": {"pIC50": 7.36, "LE": 0.458, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.256, "herg": 0.961, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 6.042126441894847, "aff_pf": -1.361821174621582, "aff_hs": -0.1413060501217842, "repeats_pf": {"runs": 3, "values": [-1.3984, -1.3221, -1.365], "mean": -1.3618, "spread": 0.0762}, "repeats_hs": {"runs": 3, "values": [-0.0165, -0.2337, -0.1738], "mean": -0.1413, "spread": 0.2172}, "at": 1786960040}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959120, "scored_at": 1786960040, "alerts": [], "rank": 675}, {"candidate_id": "ODC-46B449", "res_at": 1787153047, "skeleton": "GROTVULSIRVPBL", "hf_user": "takutoyo", "display_name": "PfD8-A9", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 63.139, "axes": {"activity": 18.48, "binding": 16.73, "selectivity": 14.66, "admet": 5.23, "novelty": 4.47, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.709, "fraction": 0.616}, "binding": {"pIC50": 7.51, "LE": 0.447, "potency_term": 0.837, "efficiency_cap": 1.0}, "selectivity": {"fold": 56.6, "selectivity_term": 0.876, "target_engagement": 0.837}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.409, "herg": 0.711, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.708753635967927, "aff_pf": -1.5095428625742595, "aff_hs": 0.24326487506429353, "repeats_pf": {"runs": 3, "values": [-1.5095, -1.5197, -1.4994], "mean": -1.5095, "spread": 0.0204}, "repeats_hs": {"runs": 3, "values": [-0.0414, 0.4271, 0.3441], "mean": 0.2433, "spread": 0.4685}, "at": 1787153047}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148029, "scored_at": 1787153047, "alerts": [], "rank": 676}, {"candidate_id": "ODC-4D6384", "res_at": 1788313734, "skeleton": "LOGBTPXPUXKGHG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R156-E-stock-sp6-YOMe", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 63.125, "axes": {"activity": 28.09, "binding": 12.65, "selectivity": 7.32, "admet": 4.49, "novelty": 6.81, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.286, "fraction": 0.936}, "binding": {"pIC50": 7.15, "LE": 0.265, "potency_term": 0.717, "efficiency_cap": 0.883}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.616, "herg": 0.179, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.285696931548712, "aff_pf": -1.150762399037679, "aff_hs": -0.1296142339706421, "repeats_pf": {"runs": 3, "values": [-1.1829, -1.1772, -1.0922], "mean": -1.1508, "spread": 0.0907}, "repeats_hs": {"runs": 3, "values": [-0.117, -0.1531, -0.1187], "mean": -0.1296, "spread": 0.0361}, "at": 1788313734}, "tier": 1, "alerts": [], "total_sd": 0.441, "total_ci95": [62.076, 63.763], "relegate_reason": [], "submitted_at": 1788302169, "scored_at": 1788313734, "rank": 677}, {"candidate_id": "ODC-027D06", "res_at": 1788450219, "skeleton": "NLLZDZMHKRUGOF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-CX-Y-Me", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 63.122, "axes": {"activity": 27.64, "binding": 13.23, "selectivity": 7.71, "admet": 4.4, "novelty": 6.47, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.258, "fraction": 0.921}, "binding": {"pIC50": 7.22, "LE": 0.268, "potency_term": 0.742, "efficiency_cap": 0.892}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.42, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.463, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.58, "herg": 0.123, "dili": 0.185}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.258183364348483, "aff_pf": -1.224984089533488, "aff_hs": -0.18598848581314087, "repeats_pf": {"runs": 3, "values": [-1.1933, -1.1235, -1.3582], "mean": -1.225, "spread": 0.2347}, "repeats_hs": {"runs": 3, "values": [-0.3587, -0.116, -0.0833], "mean": -0.186, "spread": 0.2754}, "at": 1788450219}, "tier": 1, "alerts": [], "total_sd": 1.136, "total_ci95": [61.031, 65.312], "relegate_reason": [], "submitted_at": 1788393865, "scored_at": 1788450219, "rank": 678}, {"candidate_id": "ODC-AE83F5", "res_at": 1789439936, "skeleton": "GAICWADFUHAEGL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 63.119, "axes": {"activity": 12.67, "binding": 19.15, "selectivity": 16.73, "admet": 5.61, "novelty": 4.54, "synthesis": 4.42}, "detail": {"activity": {"pAct_q10": 5.36, "fraction": 0.422}, "binding": {"pIC50": 7.87, "LE": 0.449, "potency_term": 0.957, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.9, "selectivity_term": 0.874, "target_engagement": 0.957}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.949, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.634, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.3599120892921475, "aff_pf": -1.8722186883290608, "aff_hs": -0.12445334593454997, "repeats_pf": {"runs": 3, "values": [-1.8645, -1.8549, -1.8973], "mean": -1.8722, "spread": 0.0424}, "repeats_hs": {"runs": 3, "values": [0.1499, -0.1643, -0.359], "mean": -0.1245, "spread": 0.5089}, "at": 1789439936}, "tier": 1, "alerts": [], "total_sd": 1.134, "total_ci95": [60.874, 65.333], "relegate_reason": [], "submitted_at": 1789435787, "scored_at": 1789439936, "rank": 679}, {"candidate_id": "ODC-5AAD27", "res_at": 1787907783, "skeleton": "QGBSIXUJDIFVSV", "hf_user": "Ku-ku", "display_name": "KK-M-0828-P5", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCCC2", "total": 63.117, "axes": {"activity": 25.3, "binding": 17.22, "selectivity": 6.93, "admet": 4.15, "novelty": 6.05, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 6.118, "fraction": 0.843}, "binding": {"pIC50": 7.58, "LE": 0.385, "potency_term": 0.861, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.861}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.055, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 6.118146024355467, "aff_pf": -1.5824942986170452, "aff_hs": -0.7773694197336832, "repeats_pf": {"runs": 3, "values": [-1.5652, -1.5765, -1.6058], "mean": -1.5825, "spread": 0.0407}, "repeats_hs": {"runs": 3, "values": [-0.9335, -0.4577, -0.9409], "mean": -0.7774, "spread": 0.4833}, "at": 1787907783}, "tier": 1, "relegate_reason": [], "submitted_at": 1787893500, "scored_at": 1787907783, "alerts": [], "rank": 680}, {"candidate_id": "ODC-FFAE15", "res_at": 1788590285, "skeleton": "IKCWJPOTKIMBIO", "hf_user": "Bio-JS", "display_name": "0905-S1-12 SCHF2/F/CHF2/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 63.06, "axes": {"activity": 19.82, "binding": 19.62, "selectivity": 7.69, "admet": 6.12, "novelty": 5.79, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 5.789, "fraction": 0.661}, "binding": {"pIC50": 7.94, "LE": 0.435, "potency_term": 0.981, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.981}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.355, "herg": 0.325, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.789334070678932, "aff_pf": -1.9428327878316243, "aff_hs": -1.1586356957753499, "repeats_pf": {"runs": 3, "values": [-1.9302, -1.8758, -2.0226], "mean": -1.9428, "spread": 0.1468}, "repeats_hs": {"runs": 3, "values": [-1.0314, -1.1986, -1.2459], "mean": -1.1586, "spread": 0.2144}, "at": 1788590285}, "tier": 1, "alerts": [], "total_sd": 1.023, "total_ci95": [61.18, 64.855], "relegate_reason": [], "submitted_at": 1788560112, "scored_at": 1788590285, "rank": 681}, {"candidate_id": "ODC-6E922B", "res_at": 1787871690, "skeleton": "JIOFHVZHHZJYAO", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N6", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1Cc2c··········)c2C1", "total": 63.044, "axes": {"activity": 28.45, "binding": 17.56, "selectivity": 2.54, "admet": 5.05, "novelty": 6.19, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.307, "fraction": 0.948}, "binding": {"pIC50": 7.63, "LE": 0.402, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.145, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.521, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "0", "pAct_q10": 6.307234475738169, "aff_pf": -1.6335621277491252, "aff_hs": -1.3445146481196086, "repeats_pf": {"runs": 3, "values": [-1.6223, -1.5819, -1.6965], "mean": -1.6336, "spread": 0.1146}, "repeats_hs": {"runs": 3, "values": [-1.3223, -1.3072, -1.4041], "mean": -1.3445, "spread": 0.0969}, "at": 1787838923}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784253, "scored_at": 1787838923, "alerts": [], "rank": 682}, {"candidate_id": "ODC-AB3341", "res_at": 1787102808, "skeleton": "AZQRFFWIEAWOKX", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)COC1", "total": 63.041, "axes": {"activity": 30.0, "binding": 10.13, "selectivity": 6.69, "admet": 5.42, "novelty": 6.71, "synthesis": 4.1}, "detail": {"activity": {"pAct_q10": 6.549, "fraction": 1.0}, "binding": {"pIC50": 6.73, "LE": 0.263, "potency_term": 0.577, "efficiency_cap": 0.878}, "selectivity": {"fold": 14.4, "selectivity_term": 0.58, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.389, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.78, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.564, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.548793695319764, "aff_pf": -0.730443020661672, "aff_hs": 0.4290604138125976, "repeats_pf": {"runs": 3, "values": [-0.5834, -0.8512, -0.7568], "mean": -0.7304, "spread": 0.2678}, "repeats_hs": {"runs": 3, "values": [0.5222, 0.0181, 0.7469], "mean": 0.4291, "spread": 0.7287}, "at": 1787102808}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101101, "scored_at": 1787102808, "alerts": [], "rank": 683}, {"candidate_id": "ODC-216CE5", "res_at": 1787246398, "skeleton": "URHDVKSLGBRXEJ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-22", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 63.032, "axes": {"activity": 19.56, "binding": 19.14, "selectivity": 8.97, "admet": 5.59, "novelty": 6.23, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.774, "fraction": 0.652}, "binding": {"pIC50": 7.87, "LE": 0.415, "potency_term": 0.957, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.469, "target_engagement": 0.957}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.904, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.493, "herg": 0.211, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.773752540561691, "aff_pf": -1.870977481206258, "aff_hs": -0.9339463313420614, "repeats_pf": {"runs": 3, "values": [-1.8974, -1.8602, -1.8553], "mean": -1.871, "spread": 0.0421}, "repeats_hs": {"runs": 3, "values": [-1.0143, -0.8531, -0.9344], "mean": -0.9339, "spread": 0.1612}, "at": 1787246398}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238633, "scored_at": 1787246398, "alerts": [], "rank": 684}, {"candidate_id": "ODC-FDF52A", "res_at": 1787184840, "skeleton": "RHSYRNDIRSFPPB", "hf_user": "Ku-ku", "display_name": "C4_5Me_SCH2F_I3F", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 63.032, "axes": {"activity": 12.92, "binding": 17.95, "selectivity": 16.96, "admet": 6.96, "novelty": 4.41, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.375, "fraction": 0.431}, "binding": {"pIC50": 7.69, "LE": 0.479, "potency_term": 0.898, "efficiency_cap": 1.0}, "selectivity": {"fold": 77.5, "selectivity_term": 0.945, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.39, "ld50-zhu": 0.526, "herg": 0.68, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.375287186208353, "aff_pf": -1.6925039688746135, "aff_hs": 0.19689825177192688, "repeats_pf": {"runs": 3, "values": [-1.7382, -1.6609, -1.6784], "mean": -1.6925, "spread": 0.0773}, "repeats_hs": {"runs": 3, "values": [0.1608, 0.2611, 0.1687], "mean": 0.1969, "spread": 0.1003}, "at": 1787184840}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184034, "scored_at": 1787184840, "alerts": [], "rank": 685}, {"candidate_id": "ODC-CD53DE", "res_at": 1788418584, "skeleton": "DHGIIPJKEMHZSE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV34", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 62.991, "axes": {"activity": 30.0, "binding": 14.45, "selectivity": 4.8, "admet": 4.06, "novelty": 6.94, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 6.567, "fraction": 1.0}, "binding": {"pIC50": 7.23, "LE": 0.291, "potency_term": 0.744, "efficiency_cap": 0.971}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.437, "hia-hou": 1.0, "bioavailability-ma": 0.67, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.96, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "3", "pAct_q10": 6.567013190887147, "aff_pf": -1.231403390566508, "aff_hs": -0.5862059990564982, "repeats_pf": {"runs": 3, "values": [-1.433, -1.2041, -1.0571], "mean": -1.2314, "spread": 0.376}, "repeats_hs": {"runs": 3, "values": [-0.6027, -0.5271, -0.6289], "mean": -0.5862, "spread": 0.1018}, "at": 1788418584}, "tier": 1, "alerts": [], "total_sd": 1.521, "total_ci95": [59.799, 66.6], "relegate_reason": [], "submitted_at": 1788359370, "scored_at": 1788418584, "rank": 686}, {"candidate_id": "ODC-373A04", "res_at": 1788822840, "skeleton": "KUCLPWXZCIOBLV", "hf_user": "Ku-ku", "display_name": "KK-M-0907-385", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 62.983, "axes": {"activity": 30.0, "binding": 10.24, "selectivity": 7.14, "admet": 5.28, "novelty": 6.71, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.476, "fraction": 1.0}, "binding": {"pIC50": 6.54, "LE": 0.32, "potency_term": 0.512, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.512}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "0", "pAct_q10": 6.476446832524464, "aff_pf": -0.5363292992115021, "aff_hs": 0.8582108815511068, "repeats_pf": {"runs": 3, "values": [-0.5471, -0.4712, -0.5907], "mean": -0.5363, "spread": 0.1195}, "repeats_hs": {"runs": 3, "values": [0.8182, 0.8308, 0.9257], "mean": 0.8582, "spread": 0.1075}, "at": 1788822840}, "tier": 1, "alerts": [], "total_sd": 0.475, "total_ci95": [61.927, 63.865], "relegate_reason": [], "submitted_at": 1788786706, "scored_at": 1788822840, "rank": 687}, {"candidate_id": "ODC-20B5C9", "res_at": 1787524391, "skeleton": "SVZWSMHPIYBFJU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 62.982, "axes": {"activity": 13.02, "binding": 17.87, "selectivity": 16.63, "admet": 7.28, "novelty": 4.47, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 7.68, "LE": 0.458, "potency_term": 0.894, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.5, "selectivity_term": 0.93, "target_engagement": 0.894}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.471, "cyp3a4-substrate-carbonmangels": 0.432, "ld50-zhu": 0.613, "herg": 0.688, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.38135369351836, "aff_pf": -1.6812433004379272, "aff_hs": 0.17931852489709854, "repeats_pf": {"runs": 3, "values": [-1.6733, -1.7375, -1.633], "mean": -1.6812, "spread": 0.1045}, "repeats_hs": {"runs": 3, "values": [0.1157, 0.1916, 0.2306], "mean": 0.1793, "spread": 0.1149}, "at": 1787524391}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520636, "scored_at": 1787524391, "alerts": [], "rank": 688}, {"candidate_id": "ODC-4B5FA5", "res_at": 1787122238, "skeleton": "YKOVGEVGVPTZBD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 62.951, "axes": {"activity": 25.54, "binding": 13.09, "selectivity": 10.02, "admet": 5.53, "novelty": 5.16, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.133, "fraction": 0.851}, "binding": {"pIC50": 6.96, "LE": 0.341, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.0, "selectivity_term": 0.766, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.881, "cyp2c9-veith": 0.388, "cyp3a4-substrate-carbonmangels": 0.975, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 6.132548443135079, "aff_pf": -0.9638517300287882, "aff_hs": 0.5674861868222555, "repeats_pf": {"runs": 3, "values": [-0.9632, -0.9699, -0.9584], "mean": -0.9639, "spread": 0.0115}, "repeats_hs": {"runs": 3, "values": [0.5965, 0.5756, 0.5303], "mean": 0.5675, "spread": 0.0661}, "at": 1787122238}, "tier": 1, "relegate_reason": [], "submitted_at": 1787104250, "scored_at": 1787122238, "alerts": [], "rank": 689}, {"candidate_id": "ODC-B28485", "res_at": 1786905827, "skeleton": "LVXWATUIZHAMNT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 62.933, "axes": {"activity": 12.98, "binding": 18.79, "selectivity": 17.04, "admet": 6.08, "novelty": 4.03, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 7.82, "LE": 0.466, "potency_term": 0.939, "efficiency_cap": 1.0}, "selectivity": {"fold": 65.2, "selectivity_term": 0.907, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.347, "herg": 0.728, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.571, "novelty": 0.429}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.378800271411339, "aff_pf": -1.818212668100993, "aff_hs": -0.004239022731781006, "repeats_pf": {"runs": 3, "values": [-1.8418, -1.8476, -1.7652], "mean": -1.8182, "spread": 0.0824}, "repeats_hs": {"runs": 3, "values": [0.1212, 0.0687, -0.2026], "mean": -0.0042, "spread": 0.3238}, "at": 1786905827}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892609, "scored_at": 1786905827, "alerts": [], "rank": 690}, {"candidate_id": "ODC-3C2968", "res_at": 1787720779, "skeleton": "SICZDPHIDYJGAO", "hf_user": "1Dmeds", "display_name": "ODC26-R2-17-SCH2OMe", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 62.928, "axes": {"activity": 17.43, "binding": 18.77, "selectivity": 12.3, "admet": 4.16, "novelty": 6.48, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.646, "fraction": 0.581}, "binding": {"pIC50": 7.82, "LE": 0.306, "potency_term": 0.939, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.655, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.351, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.209}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.645694945466486, "aff_pf": -1.8158009847005208, "aff_hs": -0.5050853590170542, "repeats_pf": {"runs": 3, "values": [-1.9789, -1.7406, -1.7279], "mean": -1.8158, "spread": 0.251}, "repeats_hs": {"runs": 3, "values": [-0.5048, -0.4213, -0.5892], "mean": -0.5051, "spread": 0.1679}, "at": 1787720779}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717440, "scored_at": 1787720779, "alerts": [], "rank": 691}, {"candidate_id": "ODC-02010C", "res_at": 1786896280, "skeleton": "GMULAPOCSKEUME", "hf_user": "ipsych", "display_name": "TPX-Cl5-SMe-4CF2Me-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.89, "axes": {"activity": 15.72, "binding": 19.12, "selectivity": 13.31, "admet": 6.03, "novelty": 4.62, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 7.87, "LE": 0.449, "potency_term": 0.956, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.7, "selectivity_term": 0.696, "target_engagement": 0.956}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.565, "herg": 0.675, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.543278193475207, "aff_pf": -1.8686168193817139, "aff_hs": -0.4767802357673645, "repeats_pf": {"runs": 3, "values": [-1.8999, -1.8815, -1.8244], "mean": -1.8686, "spread": 0.0755}, "repeats_hs": {"runs": 3, "values": [-0.4897, -0.4659, -0.4747], "mean": -0.4768, "spread": 0.0238}, "at": 1786896280}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891113, "scored_at": 1786896280, "alerts": [], "rank": 692}, {"candidate_id": "ODC-70BC01", "res_at": 1788267278, "skeleton": "BNNTUJMMSQJSRC", "hf_user": "Ku-ku", "display_name": "KK-M-0901-415", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNc1··········nc2n1", "total": 62.89, "axes": {"activity": 28.65, "binding": 13.1, "selectivity": 7.17, "admet": 4.25, "novelty": 6.61, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 6.319, "fraction": 0.955}, "binding": {"pIC50": 6.96, "LE": 0.318, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.548, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.636, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.554, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "0", "pAct_q10": 6.3189041863057005, "aff_pf": -0.9647063811620077, "aff_hs": 0.13040106246868768, "repeats_pf": {"runs": 3, "values": [-1.0778, -0.8939, -0.9224], "mean": -0.9647, "spread": 0.1838}, "repeats_hs": {"runs": 3, "values": [0.149, 0.0874, 0.1549], "mean": 0.1304, "spread": 0.0675}, "at": 1788267278}, "tier": 1, "alerts": [], "total_sd": 0.793, "total_ci95": [61.726, 64.827], "relegate_reason": [], "submitted_at": 1788259486, "scored_at": 1788267278, "rank": 693}, {"candidate_id": "ODC-408F6C", "res_at": 1788086932, "skeleton": "UNBOKEHSRTVFNC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 62.885, "axes": {"activity": 14.35, "binding": 18.07, "selectivity": 14.64, "admet": 7.34, "novelty": 4.52, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.461, "fraction": 0.478}, "binding": {"pIC50": 7.71, "LE": 0.406, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.7, "selectivity_term": 0.81, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.516, "cyp3a4-substrate-carbonmangels": 0.499, "ld50-zhu": 0.555, "herg": 0.407, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.461015600205594, "aff_pf": -1.7103962898254395, "aff_hs": -0.0898373822371165, "repeats_pf": {"runs": 3, "values": [-1.6768, -1.7365, -1.7178], "mean": -1.7104, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [-0.1623, -0.0429, -0.0643], "mean": -0.0898, "spread": 0.1193}, "at": 1788086932}, "tier": 1, "alerts": [], "total_sd": 0.493, "total_ci95": [61.865, 63.784], "relegate_reason": [], "submitted_at": 1788080406, "scored_at": 1788086932, "rank": 694}, {"candidate_id": "ODC-3D206F", "res_at": 1788494336, "skeleton": "MLGGLUDIEMPHQM", "hf_user": "Ku-ku", "display_name": "KK-M-0903-359", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.865, "axes": {"activity": 11.23, "binding": 18.7, "selectivity": 16.69, "admet": 6.42, "novelty": 5.9, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 7.8, "LE": 0.446, "potency_term": 0.935, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.0, "selectivity_term": 0.893, "target_engagement": 0.935}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.461, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.273913995162706, "aff_pf": -1.804642637570699, "aff_hs": -0.019428384800752003, "repeats_pf": {"runs": 3, "values": [-1.7992, -1.7941, -1.8207], "mean": -1.8046, "spread": 0.0266}, "repeats_hs": {"runs": 3, "values": [-0.0588, -0.0057, 0.0062], "mean": -0.0194, "spread": 0.0651}, "at": 1788494336}, "tier": 1, "alerts": [], "total_sd": 0.235, "total_ci95": [62.347, 63.316], "relegate_reason": [], "submitted_at": 1788430808, "scored_at": 1788494336, "rank": 695}, {"candidate_id": "ODC-8EB1FF", "res_at": 1786939225, "skeleton": "PNIFPJNDPUGKGK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 62.838, "axes": {"activity": 12.16, "binding": 17.68, "selectivity": 17.68, "admet": 6.21, "novelty": 5.66, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 7.65, "LE": 0.456, "potency_term": 0.884, "efficiency_cap": 1.0}, "selectivity": {"fold": 307.5, "selectivity_term": 1.0, "target_engagement": 0.884}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.888, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.446, "ld50-zhu": 0.588, "herg": 0.634, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.329327737118342, "aff_pf": -1.651741584142049, "aff_hs": 0.8360968232154846, "repeats_pf": {"runs": 3, "values": [-1.6754, -1.6443, -1.6355], "mean": -1.6517, "spread": 0.0399}, "repeats_hs": {"runs": 3, "values": [0.8532, 0.677, 0.9781], "mean": 0.8361, "spread": 0.3012}, "at": 1786939225}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933567, "scored_at": 1786939225, "alerts": [], "rank": 696}, {"candidate_id": "ODC-395ED6", "res_at": 1787173726, "skeleton": "VCXJMMWHHDQMPU", "hf_user": "1Dmeds", "display_name": "ODC26-FN-11", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 62.819, "axes": {"activity": 20.06, "binding": 17.8, "selectivity": 10.55, "admet": 5.57, "novelty": 4.9, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.804, "fraction": 0.669}, "binding": {"pIC50": 7.67, "LE": 0.457, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.3, "selectivity_term": 0.593, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.418, "ld50-zhu": 0.395, "herg": 0.807, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.803775131301247, "aff_pf": -1.670431653658549, "aff_hs": -0.4848375419775645, "repeats_pf": {"runs": 3, "values": [-1.6648, -1.6984, -1.648], "mean": -1.6704, "spread": 0.0504}, "repeats_hs": {"runs": 3, "values": [-0.6006, -0.3472, -0.5067], "mean": -0.4848, "spread": 0.2534}, "at": 1787173726}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171698, "scored_at": 1787173726, "alerts": [], "rank": 697}, {"candidate_id": "ODC-70C06C", "res_at": 1788578255, "skeleton": "XUAHGCDVZYOSDY", "hf_user": "1Dmeds", "display_name": "ODC26-S1D26", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 62.788, "axes": {"activity": 28.52, "binding": 13.45, "selectivity": 5.52, "admet": 4.74, "novelty": 6.91, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.311, "fraction": 0.951}, "binding": {"pIC50": 7.16, "LE": 0.28, "potency_term": 0.72, "efficiency_cap": 0.934}, "selectivity": {"fold": 5.8, "selectivity_term": 0.383, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.554, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.3110064548424, "aff_pf": -1.1600995063781738, "aff_hs": -0.3934226930141449, "repeats_pf": {"runs": 3, "values": [-1.1412, -1.1569, -1.1823], "mean": -1.1601, "spread": 0.0411}, "repeats_hs": {"runs": 3, "values": [-0.5234, -0.2994, -0.3575], "mean": -0.3934, "spread": 0.224}, "at": 1788578255}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [62.011, 63.561], "relegate_reason": [], "submitted_at": 1788555535, "scored_at": 1788578255, "rank": 698}, {"candidate_id": "ODC-419CE4", "res_at": 1787587910, "skeleton": "KRHNVQVEPRCCFQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.784, "axes": {"activity": 16.46, "binding": 19.17, "selectivity": 11.54, "admet": 6.9, "novelty": 4.45, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 5.588, "fraction": 0.549}, "binding": {"pIC50": 7.88, "LE": 0.45, "potency_term": 0.959, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.959}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.6, "herg": 0.473, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.587602010148473, "aff_pf": -1.8760077555974324, "aff_hs": -0.6723154783248901, "repeats_pf": {"runs": 3, "values": [-1.8512, -1.8851, -1.8918], "mean": -1.876, "spread": 0.0406}, "repeats_hs": {"runs": 3, "values": [-0.6568, -0.7289, -0.6312], "mean": -0.6723, "spread": 0.0977}, "at": 1787587910}, "tier": 1, "relegate_reason": [], "submitted_at": 1787584326, "scored_at": 1787587910, "alerts": [], "rank": 699}, {"candidate_id": "ODC-7381FA", "res_at": 1789317675, "skeleton": "ONXDPOBLNOSBPW", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 62.777, "axes": {"activity": 22.49, "binding": 16.24, "selectivity": 10.62, "admet": 4.94, "novelty": 4.95, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.95, "fraction": 0.75}, "binding": {"pIC50": 7.44, "LE": 0.392, "potency_term": 0.812, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.3, "selectivity_term": 0.654, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.834, "ld50-zhu": 0.633, "herg": 0.214, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.949679386705381, "aff_pf": -1.4360415538152058, "aff_hs": -0.12837453683217367, "repeats_pf": {"runs": 3, "values": [-1.4297, -1.4122, -1.4662], "mean": -1.436, "spread": 0.054}, "repeats_hs": {"runs": 3, "values": [0.0042, -0.5417, 0.1523], "mean": -0.1284, "spread": 0.694}, "at": 1789317675}, "tier": 1, "alerts": [], "total_sd": 1.365, "total_ci95": [60.33, 65.055], "relegate_reason": [], "submitted_at": 1789316972, "scored_at": 1789317675, "rank": 700}, {"candidate_id": "ODC-8A1EC8", "res_at": 1787634492, "skeleton": "LJPRKQFMXNJCOU", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 62.775, "axes": {"activity": 14.63, "binding": 19.7, "selectivity": 12.38, "admet": 7.3, "novelty": 4.68, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 7.95, "LE": 0.419, "potency_term": 0.985, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.985}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.654, "herg": 0.232, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.477854362686631, "aff_pf": -1.9549108743667603, "aff_hs": -0.6976038018862406, "repeats_pf": {"runs": 3, "values": [-1.9497, -1.951, -1.964], "mean": -1.9549, "spread": 0.0143}, "repeats_hs": {"runs": 3, "values": [-0.6648, -0.6869, -0.7411], "mean": -0.6976, "spread": 0.0763}, "at": 1787634492}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633813, "scored_at": 1787634492, "alerts": [], "rank": 701}, {"candidate_id": "ODC-DE96C1", "res_at": 1787578964, "skeleton": "CBTALWAVVXNQDU", "hf_user": "Ku-ku", "display_name": "KK-M-0824-42", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 62.754, "axes": {"activity": 26.01, "binding": 14.97, "selectivity": 6.83, "admet": 5.82, "novelty": 5.82, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.161, "fraction": 0.867}, "binding": {"pIC50": 7.25, "LE": 0.382, "potency_term": 0.749, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.456, "target_engagement": 0.749}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.992, "cyp2c9-veith": 0.51, "cyp3a4-substrate-carbonmangels": 0.449, "ld50-zhu": 0.451, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.160764264417263, "aff_pf": -1.2457540035247803, "aff_hs": -0.3340326597293218, "repeats_pf": {"runs": 3, "values": [-1.1718, -1.3378, -1.2277], "mean": -1.2458, "spread": 0.166}, "repeats_hs": {"runs": 3, "values": [-0.4497, -0.1256, -0.4269], "mean": -0.334, "spread": 0.3241}, "at": 1787578964}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578565, "scored_at": 1787578964, "alerts": [], "rank": 702}, {"candidate_id": "ODC-99EDE1", "res_at": 1787153829, "skeleton": "SDYMNFPVNOJBKC", "hf_user": "Ku-ku", "display_name": "M22_5Cl_SCHF2_4Br", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 62.753, "axes": {"activity": 24.67, "binding": 12.58, "selectivity": 11.56, "admet": 5.74, "novelty": 4.4, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.08, "fraction": 0.822}, "binding": {"pIC50": 6.89, "LE": 0.429, "potency_term": 0.629, "efficiency_cap": 1.0}, "selectivity": {"fold": 68.8, "selectivity_term": 0.919, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 0.603, "ld50-zhu": 0.367, "herg": 0.907, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 6.080068477654349, "aff_pf": -0.8877242008845011, "aff_hs": 0.9499562978744507, "repeats_pf": {"runs": 3, "values": [-0.942, -1.0054, -0.7158], "mean": -0.8877, "spread": 0.2897}, "repeats_hs": {"runs": 3, "values": [0.751, 1.0392, 1.0597], "mean": 0.95, "spread": 0.3087}, "at": 1787153829}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148038, "scored_at": 1787153829, "alerts": [], "rank": 703}, {"candidate_id": "ODC-839472", "res_at": 1786959674, "skeleton": "WPMVFSLBFNZDNZ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin A5", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 62.749, "axes": {"activity": 23.18, "binding": 16.31, "selectivity": 9.74, "admet": 6.11, "novelty": 3.79, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.991, "fraction": 0.773}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 0.461, "ld50-zhu": 0.368, "herg": 0.792, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.990943417739244, "aff_pf": -1.447157343228658, "aff_hs": -0.2536814461151759, "repeats_pf": {"runs": 3, "values": [-1.4561, -1.4528, -1.4326], "mean": -1.4472, "spread": 0.0235}, "repeats_hs": {"runs": 3, "values": [-0.3509, -0.2215, -0.1886], "mean": -0.2537, "spread": 0.1622}, "at": 1786959674}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958964, "scored_at": 1786959674, "alerts": [], "rank": 704}, {"candidate_id": "ODC-A3691C", "res_at": 1787871749, "skeleton": "UWVMGOLHTKJZHB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 62.742, "axes": {"activity": 18.59, "binding": 18.31, "selectivity": 12.02, "admet": 4.87, "novelty": 5.01, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.62}, "binding": {"pIC50": 7.75, "LE": 0.408, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.546, "herg": 0.135, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.715229796301112, "aff_pf": -1.7457613150278728, "aff_hs": -0.43239768346150714, "repeats_pf": {"runs": 3, "values": [-1.7589, -1.7624, -1.7161], "mean": -1.7458, "spread": 0.0463}, "repeats_hs": {"runs": 3, "values": [-0.2174, -0.229, -0.8509], "mean": -0.4324, "spread": 0.6335}, "at": 1787860637}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806870, "scored_at": 1787860637, "alerts": [], "rank": 705}, {"candidate_id": "ODC-B34B4F", "res_at": 1788224540, "skeleton": "IZRADTGXARLOFK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R03", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 62.701, "axes": {"activity": 16.93, "binding": 18.66, "selectivity": 12.5, "admet": 5.34, "novelty": 5.51, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.564}, "binding": {"pIC50": 7.82, "LE": 0.298, "potency_term": 0.94, "efficiency_cap": 0.992}, "selectivity": {"fold": 21.3, "selectivity_term": 0.665, "target_engagement": 0.94}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.489, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.688, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.249, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.615506080253454, "aff_pf": -1.8206436236699421, "aff_hs": -0.4913538595040639, "repeats_pf": {"runs": 3, "values": [-1.7463, -1.843, -1.8726], "mean": -1.8206, "spread": 0.1263}, "repeats_hs": {"runs": 3, "values": [-0.6303, -0.3396, -0.5041], "mean": -0.4914, "spread": 0.2907}, "at": 1788224540}, "tier": 1, "alerts": [], "total_sd": 1.205, "total_ci95": [60.164, 64.792], "relegate_reason": [], "submitted_at": 1788165658, "scored_at": 1788224540, "rank": 706}, {"candidate_id": "ODC-67DF7F", "res_at": 1786901773, "skeleton": "KQMOSKWQGMRICI", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 62.689, "axes": {"activity": 23.3, "binding": 15.76, "selectivity": 10.41, "admet": 5.23, "novelty": 4.57, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.998, "fraction": 0.777}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.923, "ld50-zhu": 0.58, "herg": 0.251, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.998257349132958, "aff_pf": -1.3635051647822063, "aff_hs": -0.041816299160321556, "repeats_pf": {"runs": 3, "values": [-1.3888, -1.3275, -1.3742], "mean": -1.3635, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [-0.028, -0.1585, 0.061], "mean": -0.0418, "spread": 0.2195}, "at": 1786901773}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899339, "scored_at": 1786901773, "alerts": [], "rank": 707}, {"candidate_id": "ODC-6DF265", "res_at": 1788316659, "skeleton": "HNYWOLXVTWWUTO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.685, "axes": {"activity": 14.49, "binding": 20.0, "selectivity": 12.09, "admet": 7.14, "novelty": 4.64, "synthesis": 4.32}, "detail": {"activity": {"pAct_q10": 5.469, "fraction": 0.483}, "binding": {"pIC50": 8.0, "LE": 0.477, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.446, "herg": 0.855, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.469365485176611, "aff_pf": -2.0025546550750732, "aff_hs": -0.793062686920166, "repeats_pf": {"runs": 3, "values": [-1.9895, -2.0025, -2.0157], "mean": -2.0026, "spread": 0.0262}, "repeats_hs": {"runs": 3, "values": [-0.8772, -0.7541, -0.7479], "mean": -0.7931, "spread": 0.1293}, "at": 1788316659}, "tier": 1, "alerts": [], "total_sd": 0.357, "total_ci95": [61.844, 63.183], "relegate_reason": [], "submitted_at": 1788316035, "scored_at": 1788316659, "rank": 708}, {"candidate_id": "ODC-FAF619", "res_at": 1787198365, "skeleton": "PQAIINAAOYERJF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 62.671, "axes": {"activity": 28.52, "binding": 11.28, "selectivity": 7.79, "admet": 4.83, "novelty": 6.56, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.311, "fraction": 0.951}, "binding": {"pIC50": 6.84, "LE": 0.276, "potency_term": 0.614, "efficiency_cap": 0.919}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.393, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.812, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.311288803238232, "aff_pf": -0.8417538404464722, "aff_hs": 0.42795318365097046, "repeats_pf": {"runs": 3, "values": [-0.8607, -0.7637, -0.9008], "mean": -0.8418, "spread": 0.1371}, "repeats_hs": {"runs": 3, "values": [0.385, 0.365, 0.5339], "mean": 0.428, "spread": 0.1689}, "at": 1787198365}, "tier": 1, "relegate_reason": [], "submitted_at": 1787194446, "scored_at": 1787198365, "alerts": [], "rank": 709}, {"candidate_id": "ODC-1F1E69", "res_at": 1787709970, "skeleton": "XYKNUQQIJMWHBH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 62.665, "axes": {"activity": 29.0, "binding": 13.33, "selectivity": 3.83, "admet": 7.64, "novelty": 7.32, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 6.34, "fraction": 0.967}, "binding": {"pIC50": 7.0, "LE": 0.32, "potency_term": 0.667, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.287, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.69, "cyp2c9-veith": 0.895, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.777, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 4.89}}, "run": {"gpu": "3", "pAct_q10": 6.340163926536961, "aff_pf": -0.9997772773106893, "aff_hs": -0.4255065321922302, "repeats_pf": {"runs": 3, "values": [-1.1307, -0.6492, -1.2194], "mean": -0.9998, "spread": 0.5702}, "repeats_hs": {"runs": 3, "values": [-0.4308, -0.3381, -0.5076], "mean": -0.4255, "spread": 0.1695}, "at": 1787709970}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709583, "scored_at": 1787709970, "alerts": [], "rank": 710}, {"candidate_id": "ODC-998C22", "res_at": 1786860058, "skeleton": "JBHRPOVHBOANJZ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.648, "axes": {"activity": 16.06, "binding": 17.19, "selectivity": 14.25, "admet": 7.17, "novelty": 4.38, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.535}, "binding": {"pIC50": 7.58, "LE": 0.472, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.4, "selectivity_term": 0.829, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.839, "ld50-zhu": 0.479, "herg": 0.721, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.563530698017899, "aff_pf": -1.579198161760966, "aff_hs": 0.07789509495099385, "repeats_pf": {"runs": 3, "values": [-1.5626, -1.5897, -1.5853], "mean": -1.5792, "spread": 0.0271}, "repeats_hs": {"runs": 3, "values": [0.0621, 0.0449, 0.1267], "mean": 0.0779, "spread": 0.0819}, "at": 1786860058}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852371, "scored_at": 1786860058, "alerts": [], "rank": 711}, {"candidate_id": "ODC-4BFF49", "res_at": 1786902871, "skeleton": "AJGRRZVOIHCEFK", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cc(··········nc2n1", "total": 62.634, "axes": {"activity": 19.83, "binding": 15.84, "selectivity": 12.13, "admet": 6.35, "novelty": 5.16, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.79, "fraction": 0.661}, "binding": {"pIC50": 7.38, "LE": 0.421, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.0, "selectivity_term": 0.766, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 0.582, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.729, "ld50-zhu": 0.344, "herg": 0.592, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.789718531879362, "aff_pf": -1.3754878838857014, "aff_hs": 0.15650352587302527, "repeats_pf": {"runs": 3, "values": [-1.3243, -1.3942, -1.4079], "mean": -1.3755, "spread": 0.0836}, "repeats_hs": {"runs": 3, "values": [0.0272, 0.3819, 0.0604], "mean": 0.1565, "spread": 0.3548}, "at": 1786902871}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899512, "scored_at": 1786902871, "alerts": [], "rank": 712}, {"candidate_id": "ODC-5991EC", "res_at": 1786948675, "skeleton": "BRJQTSBIHIJOSC", "hf_user": "ipsych", "display_name": "TPH-CN5-SMe-4CF3-3I", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.632, "axes": {"activity": 17.32, "binding": 16.94, "selectivity": 14.64, "admet": 5.67, "novelty": 4.65, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 7.54, "LE": 0.413, "potency_term": 0.847, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.5, "selectivity_term": 0.864, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.963, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.338, "ld50-zhu": 0.673, "herg": 0.344, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.638978877160005, "aff_pf": -1.541111429532369, "aff_hs": 0.1868704209725062, "repeats_pf": {"runs": 3, "values": [-1.5238, -1.6216, -1.4779], "mean": -1.5411, "spread": 0.1437}, "repeats_hs": {"runs": 3, "values": [0.2859, 0.1992, 0.0755], "mean": 0.1869, "spread": 0.2103}, "at": 1786948675}, "tier": 1, "relegate_reason": [], "submitted_at": 1786936767, "scored_at": 1786948675, "alerts": [], "rank": 713}, {"candidate_id": "ODC-779C81", "res_at": 1787250282, "skeleton": "IGOWOXWQOSGNNL", "hf_user": "1Dmeds", "display_name": "ODC26-R15-27", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 62.62, "axes": {"activity": 19.64, "binding": 18.3, "selectivity": 9.66, "admet": 5.94, "novelty": 5.58, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.778, "fraction": 0.655}, "binding": {"pIC50": 7.75, "LE": 0.408, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.44, "herg": 0.27, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.778467984339794, "aff_pf": -1.7454957962036133, "aff_hs": -0.689488927523295, "repeats_pf": {"runs": 3, "values": [-1.7551, -1.7518, -1.7296], "mean": -1.7455, "spread": 0.0256}, "repeats_hs": {"runs": 3, "values": [-0.5626, -0.8456, -0.6603], "mean": -0.6895, "spread": 0.283}, "at": 1787250282}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242192, "scored_at": 1787250282, "alerts": [], "rank": 714}, {"candidate_id": "ODC-406B56", "res_at": 1788327444, "skeleton": "CWGXWTPWVWKBBG", "hf_user": "Bio-JS", "display_name": "0902C-S1-11", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 62.601, "axes": {"activity": 16.14, "binding": 16.79, "selectivity": 17.39, "admet": 3.94, "novelty": 5.67, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 7.61, "LE": 0.29, "potency_term": 0.87, "efficiency_cap": 0.965}, "selectivity": {"fold": 122.7, "selectivity_term": 1.0, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.359, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.458, "herg": 0.05, "dili": 0.209}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.568146613558382, "aff_pf": -1.6091431379318237, "aff_hs": 0.47972490390141803, "repeats_pf": {"runs": 3, "values": [-1.6902, -1.6194, -1.5178], "mean": -1.6091, "spread": 0.1724}, "repeats_hs": {"runs": 3, "values": [0.5347, 0.6207, 0.2838], "mean": 0.4797, "spread": 0.3369}, "at": 1788327444}, "tier": 1, "alerts": [], "total_sd": 0.96, "total_ci95": [60.616, 64.363], "relegate_reason": [], "submitted_at": 1788327255, "scored_at": 1788327444, "rank": 715}, {"candidate_id": "ODC-8BED22", "res_at": 1787248155, "skeleton": "QSSSLTXAHKIWLD", "hf_user": "takutoyo", "display_name": "PfD11-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 62.581, "axes": {"activity": 24.98, "binding": 17.81, "selectivity": 3.53, "admet": 7.98, "novelty": 5.4, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 6.099, "fraction": 0.833}, "binding": {"pIC50": 7.67, "LE": 0.42, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.198, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.597, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.319, "ld50-zhu": 0.505, "herg": 0.849, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "3", "pAct_q10": 6.098931494028224, "aff_pf": -1.6711939573287964, "aff_hs": -1.2752695083618164, "repeats_pf": {"runs": 3, "values": [-1.6704, -1.6721, -1.671], "mean": -1.6712, "spread": 0.0017}, "repeats_hs": {"runs": 3, "values": [-1.2322, -1.3098, -1.2838], "mean": -1.2753, "spread": 0.0776}, "at": 1787248155}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787241359, "scored_at": 1787248155, "rank": 716}, {"candidate_id": "ODC-50976A", "res_at": 1786897194, "skeleton": "LGGOQRWYNMNDBQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Br", "total": 62.575, "axes": {"activity": 12.45, "binding": 19.69, "selectivity": 15.5, "admet": 5.96, "novelty": 4.47, "synthesis": 4.5}, "detail": {"activity": {"pAct_q10": 5.347, "fraction": 0.415}, "binding": {"pIC50": 7.95, "LE": 0.495, "potency_term": 0.984, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.6, "selectivity_term": 0.787, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.947, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.194, "ld50-zhu": 0.395, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.347277339620191, "aff_pf": -1.9530003468195598, "aff_hs": -0.3782985707124074, "repeats_pf": {"runs": 3, "values": [-1.9436, -1.9655, -1.95], "mean": -1.953, "spread": 0.0219}, "repeats_hs": {"runs": 3, "values": [-0.3627, -0.3108, -0.4614], "mean": -0.3783, "spread": 0.1506}, "at": 1786897194}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892556, "scored_at": 1786897194, "alerts": [], "rank": 717}, {"candidate_id": "ODC-36C7A7", "res_at": 1789888758, "skeleton": "YCMPNWKFNUXQHX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 62.553, "axes": {"activity": 21.2, "binding": 18.32, "selectivity": 9.36, "admet": 4.74, "novelty": 5.15, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.872, "fraction": 0.707}, "binding": {"pIC50": 7.75, "LE": 0.408, "potency_term": 0.916, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.916}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.487, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.871853297326084, "aff_pf": -1.7481516202290852, "aff_hs": -0.7263111670811971, "repeats_pf": {"runs": 3, "values": [-1.7156, -1.7949, -1.734], "mean": -1.7482, "spread": 0.0792}, "repeats_hs": {"runs": 3, "values": [-0.6248, -1.0061, -0.548], "mean": -0.7263, "spread": 0.4582}, "at": 1789888758}, "tier": 1, "alerts": [], "total_sd": 1.141, "total_ci95": [60.386, 64.455], "relegate_reason": [], "submitted_at": 1789657745, "scored_at": 1789888758, "rank": 718}, {"candidate_id": "ODC-E83786", "res_at": 1787388628, "skeleton": "HJTZKRBUSXQRDX", "hf_user": "Ku-ku", "display_name": "V2_core_ringMe", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1C", "total": 62.55, "axes": {"activity": 20.57, "binding": 14.73, "selectivity": 14.73, "admet": 4.56, "novelty": 4.62, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.834, "fraction": 0.686}, "binding": {"pIC50": 7.21, "LE": 0.429, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 124.5, "selectivity_term": 1.0, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.055, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.329, "herg": 0.574, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.834066890058603, "aff_pf": -1.2094544967015584, "aff_hs": 0.8856168190638224, "repeats_pf": {"runs": 3, "values": [-1.135, -1.4206, -1.0728], "mean": -1.2095, "spread": 0.3478}, "repeats_hs": {"runs": 3, "values": [0.9123, 0.852, 0.8925], "mean": 0.8856, "spread": 0.0603}, "at": 1787388628}, "tier": 1, "relegate_reason": [], "submitted_at": 1787388019, "scored_at": 1787388628, "alerts": [], "rank": 719}, {"candidate_id": "ODC-EDF914", "res_at": 1786883774, "skeleton": "FYUJVEMRWZSIBM", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(C(F)(F)F)c(Cl)c3)n2n1", "smiles_masked": null, "total": 62.55, "axes": {"activity": 13.77, "binding": 18.98, "selectivity": 15.57, "admet": 5.6, "novelty": 4.31, "synthesis": 4.33}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 7.85, "LE": 0.448, "potency_term": 0.949, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.7, "selectivity_term": 0.82, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.826, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.642, "ld50-zhu": 0.608, "herg": 0.265, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.425951224159018, "aff_pf": -1.8467812935511272, "aff_hs": -0.206366499265035, "repeats_pf": {"runs": 3, "values": [-1.8435, -1.8584, -1.8385], "mean": -1.8468, "spread": 0.0199}, "repeats_hs": {"runs": 3, "values": [-0.1877, -0.2212, -0.2102], "mean": -0.2064, "spread": 0.0334}, "at": 1786883774}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876340, "scored_at": 1786883774, "alerts": [], "rank": 720}, {"candidate_id": "ODC-020171", "res_at": 1788548414, "skeleton": "RFCKUVMOESTAPB", "hf_user": "1Dmeds", "display_name": "ODC26-S1D19", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 62.548, "axes": {"activity": 22.45, "binding": 16.69, "selectivity": 10.56, "admet": 3.56, "novelty": 5.93, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.866, "efficiency_cap": 0.964}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.351, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.789, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.946929109717007, "aff_pf": -1.5980749527613323, "aff_hs": -0.37842925389607746, "repeats_pf": {"runs": 3, "values": [-1.5097, -1.4921, -1.7924], "mean": -1.5981, "spread": 0.3003}, "repeats_hs": {"runs": 3, "values": [-0.4658, -0.4736, -0.1959], "mean": -0.3784, "spread": 0.2777}, "at": 1788548414}, "tier": 1, "alerts": [], "total_sd": 2.54, "total_ci95": [59.024, 68.168], "relegate_reason": [], "submitted_at": 1788517889, "scored_at": 1788548414, "rank": 721}, {"candidate_id": "ODC-5BA0D2", "res_at": 1787737730, "skeleton": "SQMMVAPHLAOGAA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1F", "total": 62.534, "axes": {"activity": 22.03, "binding": 16.92, "selectivity": 8.74, "admet": 6.46, "novelty": 4.67, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.922, "fraction": 0.734}, "binding": {"pIC50": 7.54, "LE": 0.449, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.516, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.565, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.346, "herg": 0.975, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.921775140679482, "aff_pf": -1.537726600964864, "aff_hs": -0.5047529339790344, "repeats_pf": {"runs": 3, "values": [-1.5886, -1.4957, -1.5288], "mean": -1.5377, "spread": 0.0929}, "repeats_hs": {"runs": 3, "values": [-0.4335, -0.3935, -0.6872], "mean": -0.5048, "spread": 0.2937}, "at": 1787737730}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736096, "scored_at": 1787737730, "alerts": [], "rank": 722}, {"candidate_id": "ODC-D96A1E", "res_at": 1786896097, "skeleton": "UQJHQIFHLULURX", "hf_user": "ipsych", "display_name": "TPX-Br5-SMe-4CF3-3Br", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.529, "axes": {"activity": 17.11, "binding": 18.64, "selectivity": 13.12, "admet": 4.94, "novelty": 4.74, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.627, "fraction": 0.57}, "binding": {"pIC50": 7.8, "LE": 0.445, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.751, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.562, "ld50-zhu": 0.631, "herg": 0.231, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.626744483025092, "aff_pf": -1.796315312385559, "aff_hs": -0.38837594787279767, "repeats_pf": {"runs": 3, "values": [-1.8033, -1.8477, -1.738], "mean": -1.7963, "spread": 0.1097}, "repeats_hs": {"runs": 3, "values": [-0.342, -0.3737, -0.4494], "mean": -0.3884, "spread": 0.1074}, "at": 1786896097}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891112, "scored_at": 1786896097, "alerts": [], "rank": 723}, {"candidate_id": "ODC-FE240F", "res_at": 1787628720, "skeleton": "NXPCUSIOCMHHEM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 62.51, "axes": {"activity": 28.35, "binding": 14.25, "selectivity": 3.45, "admet": 7.77, "novelty": 7.36, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 6.301, "fraction": 0.945}, "binding": {"pIC50": 7.14, "LE": 0.337, "potency_term": 0.712, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.712}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.882, "cyp2c9-veith": 0.991, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.221, "novelty": 0.779}, "synthesis": {"sa_score": 5.01}}, "run": {"gpu": "3", "pAct_q10": 6.301043805622373, "aff_pf": -1.1372320652008057, "aff_hs": -0.6528769930203756, "repeats_pf": {"runs": 3, "values": [-1.1089, -1.1475, -1.1553], "mean": -1.1372, "spread": 0.0464}, "repeats_hs": {"runs": 3, "values": [-0.5777, -0.718, -0.6629], "mean": -0.6529, "spread": 0.1404}, "at": 1787628720}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621916, "scored_at": 1787628720, "alerts": [], "rank": 724}, {"candidate_id": "ODC-1D0B41", "res_at": 1786842453, "skeleton": "ZBZGOBAEWLZCDK", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.496, "axes": {"activity": 12.48, "binding": 18.46, "selectivity": 18.46, "admet": 5.96, "novelty": 2.75, "synthesis": 4.38}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 7.77, "LE": 0.507, "potency_term": 0.923, "efficiency_cap": 1.0}, "selectivity": {"fold": 248.5, "selectivity_term": 1.0, "target_engagement": 0.923}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.072, "cyp3a4-substrate-carbonmangels": 0.4, "ld50-zhu": 0.317, "herg": 0.401, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.702, "novelty": 0.298}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 5.349027874021583, "aff_pf": -1.7696064313252766, "aff_hs": 0.6256636381149292, "repeats_pf": {"runs": 3, "values": [-1.726, -1.7832, -1.7995], "mean": -1.7696, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.6207, 0.6477, 0.6086], "mean": 0.6257, "spread": 0.0391}, "at": 1786842453}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808468, "scored_at": 1786842453, "alerts": [], "rank": 725}, {"candidate_id": "ODC-CA6B7F", "res_at": 1787308416, "skeleton": "UCNHGXGPZRGWFX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········l)CC1", "total": 62.496, "axes": {"activity": 28.96, "binding": 13.02, "selectivity": 5.51, "admet": 4.07, "novelty": 7.11, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.338, "fraction": 0.965}, "binding": {"pIC50": 7.11, "LE": 0.278, "potency_term": 0.702, "efficiency_cap": 0.927}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.069, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.051, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.337504695447913, "aff_pf": -1.1065064271291096, "aff_hs": -0.3218834102153778, "repeats_pf": {"runs": 3, "values": [-1.0542, -1.1146, -1.1507], "mean": -1.1065, "spread": 0.0966}, "repeats_hs": {"runs": 3, "values": [-0.3067, -0.3246, -0.3344], "mean": -0.3219, "spread": 0.0277}, "at": 1787308416}, "tier": 1, "relegate_reason": [], "submitted_at": 1787307006, "scored_at": 1787308416, "alerts": [], "rank": 726}, {"candidate_id": "ODC-FBB353", "res_at": 1787455226, "skeleton": "BOFIQEQQJICVBE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 62.486, "axes": {"activity": 22.43, "binding": 15.09, "selectivity": 12.09, "admet": 5.07, "novelty": 4.95, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.946, "fraction": 0.748}, "binding": {"pIC50": 7.26, "LE": 0.398, "potency_term": 0.754, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.0, "selectivity_term": 0.801, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.514, "herg": 0.673, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.9457485669296695, "aff_pf": -1.2629647254943848, "aff_hs": 0.33954042196273804, "repeats_pf": {"runs": 3, "values": [-1.4298, -1.1796, -1.1795], "mean": -1.263, "spread": 0.2503}, "repeats_hs": {"runs": 3, "values": [0.3227, 0.341, 0.3549], "mean": 0.3395, "spread": 0.0322}, "at": 1787455226}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453369, "scored_at": 1787455226, "alerts": [], "rank": 727}, {"candidate_id": "ODC-37B2F9", "res_at": 1788335003, "skeleton": "CIEUJABQXZOWFE", "hf_user": "Bio-JS", "display_name": "0902-2x2x2 마지막 빈칸 (기록분자 x 설폭사이드)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 62.444, "axes": {"activity": 19.91, "binding": 15.78, "selectivity": 15.28, "admet": 3.11, "novelty": 5.53, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.664}, "binding": {"pIC50": 7.54, "LE": 0.279, "potency_term": 0.848, "efficiency_cap": 0.931}, "selectivity": {"fold": 63.4, "selectivity_term": 0.901, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 5.794384920775697, "aff_pf": -1.5429867108662922, "aff_hs": 0.25938818355401355, "repeats_pf": {"runs": 3, "values": [-1.522, -1.5758, -1.5312], "mean": -1.543, "spread": 0.0538}, "repeats_hs": {"runs": 3, "values": [0.1908, 0.352, 0.2354], "mean": 0.2594, "spread": 0.1613}, "at": 1788335003}, "tier": 1, "alerts": [], "total_sd": 0.509, "total_ci95": [61.477, 63.395], "relegate_reason": [], "submitted_at": 1788327484, "scored_at": 1788335003, "rank": 728}, {"candidate_id": "ODC-160A46", "res_at": 1786932013, "skeleton": "MVTGKYXCBZBRKN", "hf_user": "choa712", "display_name": "LUCY-P07", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 62.437, "axes": {"activity": 18.33, "binding": 18.57, "selectivity": 10.33, "admet": 5.51, "novelty": 6.1, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.7, "fraction": 0.611}, "binding": {"pIC50": 7.79, "LE": 0.41, "potency_term": 0.929, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.0, "selectivity_term": 0.556, "target_engagement": 0.929}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.474, "ld50-zhu": 0.486, "herg": 0.311, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.699534016032936, "aff_pf": -1.7855641841888428, "aff_hs": -0.6728356679280599, "repeats_pf": {"runs": 3, "values": [-1.7925, -1.8085, -1.7557], "mean": -1.7856, "spread": 0.0529}, "repeats_hs": {"runs": 3, "values": [-0.6653, -0.6875, -0.6657], "mean": -0.6728, "spread": 0.0222}, "at": 1786932013}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925554, "scored_at": 1786932013, "alerts": [], "rank": 729}, {"candidate_id": "ODC-AD6DC5", "res_at": 1788000402, "skeleton": "GKBQKVFDSYFYDN", "hf_user": "Ku-ku", "display_name": "KK-M-0829-108", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 62.433, "axes": {"activity": 12.27, "binding": 19.22, "selectivity": 14.38, "admet": 6.18, "novelty": 6.69, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 7.88, "LE": 0.432, "potency_term": 0.961, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.4, "selectivity_term": 0.748, "target_engagement": 0.961}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.624, "herg": 0.091, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.336112246851707, "aff_pf": -1.8835646311442058, "aff_hs": -0.3870116372903188, "repeats_pf": {"runs": 3, "values": [-1.8972, -1.8959, -1.8576], "mean": -1.8836, "spread": 0.0395}, "repeats_hs": {"runs": 3, "values": [-0.2452, -0.6151, -0.3007], "mean": -0.387, "spread": 0.3699}, "at": 1788000402}, "tier": 1, "alerts": [], "total_sd": 0.869, "total_ci95": [60.909, 63.969], "relegate_reason": [], "submitted_at": 1787972516, "scored_at": 1788000402, "rank": 730}, {"candidate_id": "ODC-072289", "res_at": 1787879847, "skeleton": "VNAQFASVKQBEIY", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L07", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········)CCC2", "total": 62.418, "axes": {"activity": 23.77, "binding": 17.36, "selectivity": 7.76, "admet": 4.32, "novelty": 5.79, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.026, "fraction": 0.792}, "binding": {"pIC50": 7.6, "LE": 0.401, "potency_term": 0.868, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.868}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.426, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.026380727257947, "aff_pf": -1.60464342435201, "aff_hs": -0.7112464507420858, "repeats_pf": {"runs": 3, "values": [-1.8073, -1.3395, -1.6671], "mean": -1.6046, "spread": 0.4678}, "repeats_hs": {"runs": 3, "values": [-0.7918, -0.7106, -0.6313], "mean": -0.7112, "spread": 0.1605}, "at": 1787879847}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822326, "scored_at": 1787879847, "alerts": [], "rank": 731}, {"candidate_id": "ODC-2877F8", "res_at": 1786906754, "skeleton": "XLKGXHKNSZBLPV", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.415, "axes": {"activity": 13.95, "binding": 20.0, "selectivity": 10.43, "admet": 7.93, "novelty": 5.67, "synthesis": 4.44}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 8.06, "LE": 0.502, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.521, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.976, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.635, "ld50-zhu": 0.486, "herg": 0.604, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.437025600303754, "aff_pf": -2.0626394748687744, "aff_hs": -1.0199222167332966, "repeats_pf": {"runs": 3, "values": [-2.0008, -2.0764, -2.1107], "mean": -2.0626, "spread": 0.1098}, "repeats_hs": {"runs": 3, "values": [-1.0188, -0.996, -1.045], "mean": -1.0199, "spread": 0.049}, "at": 1786906754}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892713, "scored_at": 1786906754, "alerts": [], "rank": 732}, {"candidate_id": "ODC-BCE964", "res_at": 1787083714, "skeleton": "BGMAYQWJONJGHB", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 62.394, "axes": {"activity": 24.2, "binding": 15.91, "selectivity": 7.2, "admet": 6.34, "novelty": 5.13, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.052, "fraction": 0.807}, "binding": {"pIC50": 7.39, "LE": 0.405, "potency_term": 0.795, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.453, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.488, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.411, "herg": 0.393, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 6.05226452749644, "aff_pf": -1.3863650560379028, "aff_hs": -0.4813397129376729, "repeats_pf": {"runs": 3, "values": [-1.3941, -1.3648, -1.4002], "mean": -1.3864, "spread": 0.0354}, "repeats_hs": {"runs": 3, "values": [-0.4202, -0.5511, -0.4727], "mean": -0.4813, "spread": 0.1309}, "at": 1787083714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787071373, "scored_at": 1787083714, "alerts": [], "rank": 733}, {"candidate_id": "ODC-55718F", "res_at": 1787523029, "skeleton": "YNTCDSUFRBYUOE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 62.384, "axes": {"activity": 22.14, "binding": 17.01, "selectivity": 9.86, "admet": 5.86, "novelty": 4.03, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.928, "fraction": 0.738}, "binding": {"pIC50": 7.55, "LE": 0.431, "potency_term": 0.85, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.4, "selectivity_term": 0.58, "target_engagement": 0.85}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.39, "herg": 0.603, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.928418290913395, "aff_pf": -1.551172931989034, "aff_hs": -0.3916355073451996, "repeats_pf": {"runs": 3, "values": [-1.5467, -1.551, -1.5558], "mean": -1.5512, "spread": 0.009}, "repeats_hs": {"runs": 3, "values": [-0.4182, -0.382, -0.3747], "mean": -0.3916, "spread": 0.0434}, "at": 1787523029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520607, "scored_at": 1787523029, "alerts": [], "rank": 734}, {"candidate_id": "ODC-D6F60C", "res_at": 1786898098, "skeleton": "HDFIMNMXTOCZQY", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 62.384, "axes": {"activity": 12.89, "binding": 17.96, "selectivity": 17.61, "admet": 6.11, "novelty": 4.11, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 7.69, "LE": 0.458, "potency_term": 0.898, "efficiency_cap": 1.0}, "selectivity": {"fold": 91.6, "selectivity_term": 0.981, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.207, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.391, "herg": 0.619, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.373505211220091, "aff_pf": -1.6933348973592122, "aff_hs": 0.26860256989796955, "repeats_pf": {"runs": 3, "values": [-1.6968, -1.7085, -1.6747], "mean": -1.6933, "spread": 0.0338}, "repeats_hs": {"runs": 3, "values": [0.2979, 0.2438, 0.2642], "mean": 0.2686, "spread": 0.0541}, "at": 1786898098}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892681, "scored_at": 1786898098, "alerts": [], "rank": 735}, {"candidate_id": "ODC-0A31F3", "res_at": 1787255072, "skeleton": "WIGWYHLETUXCJQ", "hf_user": "takutoyo", "display_name": "PfD11-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 62.38, "axes": {"activity": 22.71, "binding": 17.83, "selectivity": 5.12, "admet": 8.34, "novelty": 5.68, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.963, "fraction": 0.757}, "binding": {"pIC50": 7.67, "LE": 0.404, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.287, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.574, "herg": 0.825, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "3", "pAct_q10": 5.962510547014357, "aff_pf": -1.6745096842447917, "aff_hs": -1.0999905665715535, "repeats_pf": {"runs": 3, "values": [-1.6347, -1.6526, -1.7362], "mean": -1.6745, "spread": 0.1015}, "repeats_hs": {"runs": 3, "values": [-1.156, -1.0607, -1.0833], "mean": -1.1, "spread": 0.0954}, "at": 1787255072}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787247672, "scored_at": 1787255072, "rank": 736}, {"candidate_id": "ODC-5338CB", "res_at": 1787710173, "skeleton": "NKHQBVRXCCMISD", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)Oc··········CF)n1", "total": 62.379, "axes": {"activity": 27.9, "binding": 11.88, "selectivity": 6.08, "admet": 8.09, "novelty": 7.2, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 6.274, "fraction": 0.93}, "binding": {"pIC50": 6.78, "LE": 0.3, "potency_term": 0.594, "efficiency_cap": 0.999}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 0.952, "pgp-broccatelli": 0.492, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.234, "ld50-zhu": 0.757, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 5.07}}, "run": {"gpu": "3", "pAct_q10": 6.2737647052126695, "aff_pf": -0.7831191023190817, "aff_hs": 0.23911502957344055, "repeats_pf": {"runs": 3, "values": [-0.9141, -0.65, -0.7853], "mean": -0.7831, "spread": 0.2642}, "repeats_hs": {"runs": 3, "values": [0.2086, 0.261, 0.2478], "mean": 0.2391, "spread": 0.0524}, "at": 1787710173}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709597, "scored_at": 1787710173, "alerts": [], "rank": 737}, {"candidate_id": "ODC-ED7B2D", "res_at": 1786878802, "skeleton": "GEEKCSMRMLARSW", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.372, "axes": {"activity": 17.14, "binding": 16.3, "selectivity": 14.52, "admet": 6.58, "novelty": 4.41, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.45, "LE": 0.425, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.4, "selectivity_term": 0.891, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.935, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.347, "ld50-zhu": 0.413, "herg": 0.898, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.628468806633553, "aff_pf": -1.44516917069753, "aff_hs": 0.33594173192977905, "repeats_pf": {"runs": 3, "values": [-1.4517, -1.4341, -1.4497], "mean": -1.4452, "spread": 0.0176}, "repeats_hs": {"runs": 3, "values": [0.3411, 0.3598, 0.3069], "mean": 0.3359, "spread": 0.0529}, "at": 1786878802}, "tier": 1, "relegate_reason": [], "submitted_at": 1786868524, "scored_at": 1786878802, "alerts": [], "rank": 738}, {"candidate_id": "ODC-B9EE96", "res_at": 1788468216, "skeleton": "KMGFZYCUCUZFJQ", "hf_user": "Ku-ku", "display_name": "KK-M-0903-769", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCS2", "total": 62.367, "axes": {"activity": 21.43, "binding": 16.6, "selectivity": 11.22, "admet": 4.03, "novelty": 6.11, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.886, "fraction": 0.714}, "binding": {"pIC50": 7.49, "LE": 0.395, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.5, "selectivity_term": 0.676, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.995, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.501, "herg": 0.127, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 5.885830236442476, "aff_pf": -1.4903997580210369, "aff_hs": -0.13843660056591034, "repeats_pf": {"runs": 3, "values": [-1.4834, -1.4927, -1.4952], "mean": -1.4904, "spread": 0.0118}, "repeats_hs": {"runs": 3, "values": [0.0625, -0.4498, -0.028], "mean": -0.1384, "spread": 0.5123}, "at": 1788468216}, "tier": 1, "alerts": [], "total_sd": 0.967, "total_ci95": [60.855, 64.036], "relegate_reason": [], "submitted_at": 1788407790, "scored_at": 1788468216, "rank": 739}, {"candidate_id": "ODC-1CA219", "res_at": 1786932408, "skeleton": "QNVAEDNGXWMLSJ", "hf_user": "choa712", "display_name": "LUCY-P04", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 62.358, "axes": {"activity": 21.16, "binding": 15.33, "selectivity": 13.1, "admet": 5.06, "novelty": 4.62, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.869, "fraction": 0.705}, "binding": {"pIC50": 7.3, "LE": 0.417, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.2, "selectivity_term": 0.855, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.418, "herg": 0.745, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.869333522479296, "aff_pf": -1.2990537881851196, "aff_hs": 0.4100794494152069, "repeats_pf": {"runs": 3, "values": [-1.2972, -1.2975, -1.3025], "mean": -1.2991, "spread": 0.0053}, "repeats_hs": {"runs": 3, "values": [0.3855, 0.4858, 0.3589], "mean": 0.4101, "spread": 0.1268}, "at": 1786932408}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925512, "scored_at": 1786932408, "alerts": [], "rank": 740}, {"candidate_id": "ODC-68A4DA", "res_at": 1787878499, "skeleton": "VSAZMSZZTAKDFX", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L04", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1c(··········)CCC2", "total": 62.341, "axes": {"activity": 27.72, "binding": 13.94, "selectivity": 6.3, "admet": 4.18, "novelty": 6.52, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.263, "fraction": 0.924}, "binding": {"pIC50": 7.09, "LE": 0.36, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.507, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.263357308127307, "aff_pf": -1.091599742571513, "aff_hs": -0.1878966043392817, "repeats_pf": {"runs": 3, "values": [-1.1391, -1.0829, -1.0528], "mean": -1.0916, "spread": 0.0863}, "repeats_hs": {"runs": 3, "values": [-0.1411, -0.2318, -0.1908], "mean": -0.1879, "spread": 0.0908}, "at": 1787878499}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822313, "scored_at": 1787878499, "alerts": [], "rank": 741}, {"candidate_id": "ODC-AD1CA9", "res_at": 1789340950, "skeleton": "BWXPLQAMXPDQQX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.319, "axes": {"activity": 14.24, "binding": 17.83, "selectivity": 15.78, "admet": 6.07, "novelty": 4.89, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 7.67, "LE": 0.438, "potency_term": 0.891, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.9, "selectivity_term": 0.885, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.541, "herg": 0.463, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.454414871415788, "aff_pf": -1.6742684443791707, "aff_hs": 0.09555090715487798, "repeats_pf": {"runs": 3, "values": [-1.6654, -1.6499, -1.7075], "mean": -1.6743, "spread": 0.0576}, "repeats_hs": {"runs": 3, "values": [0.1887, 0.0525, 0.0454], "mean": 0.0956, "spread": 0.1433}, "at": 1789340950}, "tier": 1, "alerts": [], "total_sd": 0.47, "total_ci95": [61.381, 63.244], "relegate_reason": [], "submitted_at": 1789338589, "scored_at": 1789340950, "rank": 742}, {"candidate_id": "ODC-2BB0C4", "res_at": 1786868719, "skeleton": "WJWNZNXDIPZNEB", "hf_user": "ipsych", "display_name": "TPSM-4Cl3Cl", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.288, "axes": {"activity": 13.65, "binding": 18.34, "selectivity": 17.53, "admet": 6.15, "novelty": 2.04, "synthesis": 4.58}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.75, "LE": 0.506, "potency_term": 0.917, "efficiency_cap": 1.0}, "selectivity": {"fold": 81.6, "selectivity_term": 0.956, "target_engagement": 0.917}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.288, "herg": 0.534, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.778, "novelty": 0.222}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "2", "pAct_q10": 5.419178932622557, "aff_pf": -1.7504440943400066, "aff_hs": 0.16143428782622019, "repeats_pf": {"runs": 3, "values": [-1.7305, -1.8094, -1.7115], "mean": -1.7504, "spread": 0.0979}, "repeats_hs": {"runs": 3, "values": [0.261, 0.4363, -0.213], "mean": 0.1614, "spread": 0.6493}, "at": 1786868719}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859573, "scored_at": 1786868719, "alerts": [], "rank": 743}, {"candidate_id": "ODC-A217CC", "res_at": 1787082054, "skeleton": "HDYOMGBJTRKMLF", "hf_user": "1Dmeds", "display_name": "ODC26-MB-13", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 62.212, "axes": {"activity": 24.55, "binding": 14.66, "selectivity": 9.14, "admet": 5.35, "novelty": 5.2, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.073, "fraction": 0.818}, "binding": {"pIC50": 7.2, "LE": 0.429, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.623, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.698, "ld50-zhu": 0.458, "herg": 0.554, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 6.072895130106602, "aff_pf": -1.1991649866104126, "aff_hs": 0.04699529459079107, "repeats_pf": {"runs": 3, "values": [-1.1608, -1.2176, -1.2191], "mean": -1.1992, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [0.0616, 0.0571, 0.0223], "mean": 0.047, "spread": 0.0393}, "at": 1787082054}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069666, "scored_at": 1787082054, "alerts": [], "rank": 744}, {"candidate_id": "ODC-C58858", "res_at": 1788969370, "skeleton": "JSHIZCWABVQVMR", "hf_user": "Ku-ku", "display_name": "KK-M-0910-508", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 62.192, "axes": {"activity": 27.6, "binding": 11.09, "selectivity": 8.62, "admet": 5.1, "novelty": 6.26, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 6.256, "fraction": 0.92}, "binding": {"pIC50": 6.66, "LE": 0.326, "potency_term": 0.554, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.8, "selectivity_term": 0.777, "target_engagement": 0.554}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.706, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.945, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.2558789359938105, "aff_pf": -0.6633591453234354, "aff_hs": 0.8909029165903727, "repeats_pf": {"runs": 3, "values": [-0.6607, -0.6886, -0.6408], "mean": -0.6634, "spread": 0.0478}, "repeats_hs": {"runs": 3, "values": [0.8399, 0.7984, 1.0345], "mean": 0.8909, "spread": 0.2361}, "at": 1788969370}, "tier": 1, "alerts": [], "total_sd": 0.389, "total_ci95": [61.521, 63.077], "relegate_reason": [], "submitted_at": 1788967910, "scored_at": 1788969370, "rank": 745}, {"candidate_id": "ODC-A8BBE1", "res_at": 1787871755, "skeleton": "UTWSODMNYMWQCV", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 62.165, "axes": {"activity": 21.33, "binding": 18.65, "selectivity": 6.41, "admet": 6.39, "novelty": 5.45, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.88, "fraction": 0.711}, "binding": {"pIC50": 7.8, "LE": 0.411, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.615, "ld50-zhu": 0.49, "herg": 0.171, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.879984734906966, "aff_pf": -1.7971187432607014, "aff_hs": -1.1099611123402913, "repeats_pf": {"runs": 3, "values": [-1.7763, -1.797, -1.818], "mean": -1.7971, "spread": 0.0418}, "repeats_hs": {"runs": 3, "values": [-1.0947, -1.1379, -1.0973], "mean": -1.11, "spread": 0.0433}, "at": 1787857841}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800783, "scored_at": 1787857841, "alerts": [], "rank": 746}, {"candidate_id": "ODC-99975A", "res_at": 1787251636, "skeleton": "NMDVUSHBDXYFSQ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-35", "model_name": "Claude Opus 5 free-cell corner scan", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 62.158, "axes": {"activity": 21.65, "binding": 15.43, "selectivity": 11.12, "admet": 6.4, "novelty": 3.93, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.899, "fraction": 0.722}, "binding": {"pIC50": 7.31, "LE": 0.456, "potency_term": 0.772, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.6, "selectivity_term": 0.721, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.633, "cyp3a4-substrate-carbonmangels": 0.698, "ld50-zhu": 0.289, "herg": 0.936, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.899145493891186, "aff_pf": -1.314745306968689, "aff_hs": 0.12633386626839638, "repeats_pf": {"runs": 3, "values": [-1.2828, -1.3157, -1.3457], "mean": -1.3147, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [0.061, 0.2421, 0.0759], "mean": 0.1263, "spread": 0.1811}, "at": 1787251636}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242251, "scored_at": 1787251636, "alerts": [], "rank": 747}, {"candidate_id": "ODC-B96328", "res_at": 1789436676, "skeleton": "ULFALSHMHUXBCU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 62.154, "axes": {"activity": 13.51, "binding": 17.73, "selectivity": 16.84, "admet": 5.65, "novelty": 4.58, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 7.66, "LE": 0.42, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.3, "selectivity_term": 0.95, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.078, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.410467314025357, "aff_pf": -1.6597723960876465, "aff_hs": 0.2395458221435547, "repeats_pf": {"runs": 3, "values": [-1.5874, -1.7092, -1.6827], "mean": -1.6598, "spread": 0.1218}, "repeats_hs": {"runs": 3, "values": [0.2614, 0.3689, 0.0883], "mean": 0.2395, "spread": 0.2806}, "at": 1789436676}, "tier": 1, "alerts": [], "total_sd": 0.9, "total_ci95": [60.24, 63.781], "relegate_reason": [], "submitted_at": 1789435237, "scored_at": 1789436676, "rank": 748}, {"candidate_id": "ODC-F8BCD4", "res_at": 1787193067, "skeleton": "KGNMQMOYXDQECH", "hf_user": "Ku-ku", "display_name": "P5_ethynyl_SCHF2_4Br", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 62.137, "axes": {"activity": 23.25, "binding": 15.22, "selectivity": 10.37, "admet": 5.41, "novelty": 4.65, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.995, "fraction": 0.775}, "binding": {"pIC50": 7.28, "LE": 0.434, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.1, "selectivity_term": 0.682, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.187, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.437, "herg": 0.724, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.99525418688779, "aff_pf": -1.282663106918335, "aff_hs": 0.08035193445781867, "repeats_pf": {"runs": 3, "values": [-1.2622, -1.284, -1.3018], "mean": -1.2827, "spread": 0.0396}, "repeats_hs": {"runs": 3, "values": [-0.0108, -0.0863, 0.3382], "mean": 0.0804, "spread": 0.4245}, "at": 1787193067}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190282, "scored_at": 1787193067, "alerts": [], "rank": 749}, {"candidate_id": "ODC-00239F", "res_at": 1786939039, "skeleton": "SEHODNYFLPLFIX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 62.126, "axes": {"activity": 18.22, "binding": 18.1, "selectivity": 9.59, "admet": 6.94, "novelty": 5.52, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 7.72, "LE": 0.44, "potency_term": 0.905, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.53, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.725, "ld50-zhu": 0.504, "herg": 0.728, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.69297938549793, "aff_pf": -1.7157153288523357, "aff_hs": -0.6559728185335795, "repeats_pf": {"runs": 3, "values": [-1.761, -1.699, -1.6871], "mean": -1.7157, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [-0.6665, -0.6773, -0.6242], "mean": -0.656, "spread": 0.0531}, "at": 1786939039}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933545, "scored_at": 1786939039, "alerts": [], "rank": 750}, {"candidate_id": "ODC-7B0D21", "res_at": 1787045558, "skeleton": "JFYRZBRUPXLOAF", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 62.124, "axes": {"activity": 20.1, "binding": 16.32, "selectivity": 13.1, "admet": 4.42, "novelty": 4.7, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.806, "fraction": 0.67}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.3, "selectivity_term": 0.803, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.065, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.649, "ld50-zhu": 0.393, "herg": 0.703, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.806229057972036, "aff_pf": -1.4478381077448528, "aff_hs": 0.15738734602928162, "repeats_pf": {"runs": 3, "values": [-1.373, -1.4803, -1.4902], "mean": -1.4478, "spread": 0.1172}, "repeats_hs": {"runs": 3, "values": [0.2819, -0.1192, 0.3095], "mean": 0.1574, "spread": 0.4287}, "at": 1787045558}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039452, "scored_at": 1787045558, "alerts": [], "rank": 751}, {"candidate_id": "ODC-37DF04", "res_at": 1787034087, "skeleton": "QGBDPAJHWTYXPF", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Cl", "total": 62.123, "axes": {"activity": 22.36, "binding": 17.48, "selectivity": 8.81, "admet": 5.67, "novelty": 3.97, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.942, "fraction": 0.745}, "binding": {"pIC50": 7.62, "LE": 0.454, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.35, "ld50-zhu": 0.336, "herg": 0.804, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.9415311091582685, "aff_pf": -1.6216823259989421, "aff_hs": -0.6129821638266245, "repeats_pf": {"runs": 3, "values": [-1.6659, -1.6033, -1.5959], "mean": -1.6217, "spread": 0.07}, "repeats_hs": {"runs": 3, "values": [-0.5433, -0.3999, -0.8957], "mean": -0.613, "spread": 0.4957}, "at": 1787034087}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030843, "scored_at": 1787034087, "alerts": [], "rank": 752}, {"candidate_id": "ODC-751485", "res_at": 1786899753, "skeleton": "OFCQAQZEXNYOIS", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 62.123, "axes": {"activity": 17.36, "binding": 18.13, "selectivity": 12.86, "admet": 3.96, "novelty": 5.89, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 5.642, "fraction": 0.579}, "binding": {"pIC50": 7.72, "LE": 0.32, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.2, "selectivity_term": 0.709, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.889, "herg": 0.09, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.641669220440849, "aff_pf": -1.7194902896881104, "aff_hs": -0.3007117609182994, "repeats_pf": {"runs": 3, "values": [-1.7023, -1.6621, -1.7941], "mean": -1.7195, "spread": 0.132}, "repeats_hs": {"runs": 3, "values": [-0.209, -0.1626, -0.5305], "mean": -0.3007, "spread": 0.3679}, "at": 1786899753}, "tier": 1, "relegate_reason": [], "submitted_at": 1786897080, "scored_at": 1786899753, "alerts": [], "rank": 753}, {"candidate_id": "ODC-9AB714", "res_at": 1787087063, "skeleton": "OMGIYOYOZVSMSN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 62.09, "axes": {"activity": 25.89, "binding": 16.16, "selectivity": 6.97, "admet": 3.44, "novelty": 6.3, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 6.154, "fraction": 0.863}, "binding": {"pIC50": 7.64, "LE": 0.275, "potency_term": 0.88, "efficiency_cap": 0.918}, "selectivity": {"fold": 6.2, "selectivity_term": 0.396, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.486, "hia-hou": 1.0, "bioavailability-ma": 0.959, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.518, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.81, "herg": 0.064, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.1535671177198115, "aff_pf": -1.639836033185323, "aff_hs": -0.8474098443984985, "repeats_pf": {"runs": 3, "values": [-1.6102, -1.6368, -1.6725], "mean": -1.6398, "spread": 0.0624}, "repeats_hs": {"runs": 3, "values": [-0.6932, -1.1856, -0.6634], "mean": -0.8474, "spread": 0.5222}, "at": 1787087063}, "tier": 1, "relegate_reason": [], "submitted_at": 1787083780, "scored_at": 1787087063, "alerts": [], "rank": 754}, {"candidate_id": "ODC-064AB5", "res_at": 1787202196, "skeleton": "SDGWAKBSBIAGIS", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1F", "total": 62.074, "axes": {"activity": 24.68, "binding": 16.43, "selectivity": 6.87, "admet": 5.84, "novelty": 4.66, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 6.081, "fraction": 0.823}, "binding": {"pIC50": 7.46, "LE": 0.445, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.418, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.409, "herg": 0.682, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 6.081087555772858, "aff_pf": -1.4645198980967205, "aff_hs": -0.6281861265500387, "repeats_pf": {"runs": 3, "values": [-1.4267, -1.4937, -1.4732], "mean": -1.4645, "spread": 0.067}, "repeats_hs": {"runs": 3, "values": [-0.4626, -0.5507, -0.8713], "mean": -0.6282, "spread": 0.4087}, "at": 1787202196}, "tier": 1, "relegate_reason": [], "submitted_at": 1787199379, "scored_at": 1787202196, "alerts": [], "rank": 755}, {"candidate_id": "ODC-8D2AE4", "res_at": 1786842092, "skeleton": "BVGGZOQAGHIEEA", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.072, "axes": {"activity": 14.24, "binding": 18.12, "selectivity": 15.79, "admet": 6.61, "novelty": 3.08, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 7.72, "LE": 0.504, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.2, "selectivity_term": 0.871, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.431, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.397, "herg": 0.362, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.454341020781452, "aff_pf": -1.718084692955017, "aff_hs": 0.024190475543340046, "repeats_pf": {"runs": 3, "values": [-1.7712, -1.6629, -1.7201], "mean": -1.7181, "spread": 0.1083}, "repeats_hs": {"runs": 3, "values": [0.07, 0.0219, -0.0193], "mean": 0.0242, "spread": 0.0893}, "at": 1786842092}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808432, "scored_at": 1786842092, "alerts": [], "rank": 756}, {"candidate_id": "ODC-E1A843", "res_at": 1789622679, "skeleton": "AIWVSHXMTRVAHR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 62.068, "axes": {"activity": 25.08, "binding": 16.35, "selectivity": 7.78, "admet": 5.25, "novelty": 3.96, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 6.105, "fraction": 0.836}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.818, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.476, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.734, "herg": 0.155, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 6.104935281414033, "aff_pf": -1.452878435452779, "aff_hs": -0.501651386419932, "repeats_pf": {"runs": 3, "values": [-1.5852, -1.2388, -1.5346], "mean": -1.4529, "spread": 0.3463}, "repeats_hs": {"runs": 3, "values": [-0.2955, -0.5865, -0.6229], "mean": -0.5017, "spread": 0.3274}, "at": 1789622679}, "tier": 1, "alerts": [], "total_sd": 1.872, "total_ci95": [58.274, 65.435], "relegate_reason": [], "submitted_at": 1789619152, "scored_at": 1789622679, "rank": 757}, {"candidate_id": "ODC-30B8EE", "res_at": 1787489648, "skeleton": "ZNBSXKFPBVYGFT", "hf_user": "Ku-ku", "display_name": "KK-M-0823-54", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········1CCC2", "total": 62.031, "axes": {"activity": 22.53, "binding": 17.02, "selectivity": 8.63, "admet": 4.61, "novelty": 5.59, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.952, "fraction": 0.751}, "binding": {"pIC50": 7.55, "LE": 0.398, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.896, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.666, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.952045878911806, "aff_pf": -1.5524442593256633, "aff_hs": -0.5377521018187205, "repeats_pf": {"runs": 3, "values": [-1.4825, -1.5204, -1.6544], "mean": -1.5524, "spread": 0.1719}, "repeats_hs": {"runs": 3, "values": [-0.4875, -0.4781, -0.6477], "mean": -0.5378, "spread": 0.1696}, "at": 1787489648}, "tier": 1, "relegate_reason": [], "submitted_at": 1787488799, "scored_at": 1787489648, "alerts": [], "rank": 758}, {"candidate_id": "ODC-5D9F71", "res_at": 1786854761, "skeleton": "VKGUYNJQZNWDLR", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 62.0, "axes": {"activity": 12.7, "binding": 18.78, "selectivity": 15.24, "admet": 6.77, "novelty": 4.61, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 5.362, "fraction": 0.423}, "binding": {"pIC50": 7.82, "LE": 0.446, "potency_term": 0.939, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.0, "selectivity_term": 0.812, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.623, "ld50-zhu": 0.658, "herg": 0.427, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.362201804373476, "aff_pf": -1.8163630962371826, "aff_hs": -0.19312186539173126, "repeats_pf": {"runs": 3, "values": [-1.8039, -1.8395, -1.8057], "mean": -1.8164, "spread": 0.0355}, "repeats_hs": {"runs": 3, "values": [-0.2295, -0.2786, -0.0712], "mean": -0.1931, "spread": 0.2074}, "at": 1786854761}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847727, "scored_at": 1786854761, "alerts": [], "rank": 759}, {"candidate_id": "ODC-F8ECB5", "res_at": 1787202608, "skeleton": "JGZGKPSVPVSUJW", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1F", "total": 62.0, "axes": {"activity": 22.21, "binding": 16.79, "selectivity": 8.54, "admet": 6.32, "novelty": 4.34, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.933, "fraction": 0.74}, "binding": {"pIC50": 7.52, "LE": 0.448, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.486, "ld50-zhu": 0.363, "herg": 0.894, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.932657370564609, "aff_pf": -1.5187722047170003, "aff_hs": -0.5011392335096995, "repeats_pf": {"runs": 3, "values": [-1.5909, -1.4399, -1.5255], "mean": -1.5188, "spread": 0.151}, "repeats_hs": {"runs": 3, "values": [-0.7908, -0.3696, -0.343], "mean": -0.5011, "spread": 0.4478}, "at": 1787202608}, "tier": 1, "relegate_reason": [], "submitted_at": 1787199395, "scored_at": 1787202608, "alerts": [], "rank": 760}, {"candidate_id": "ODC-951D66", "res_at": 1789370759, "skeleton": "FDZZDTFMEUZIJE", "hf_user": "Ku-ku", "display_name": "KK-M-0914-010", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 61.99, "axes": {"activity": 14.63, "binding": 17.64, "selectivity": 12.59, "admet": 8.42, "novelty": 5.79, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 7.65, "LE": 0.455, "potency_term": 0.882, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.7, "selectivity_term": 0.713, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.637, "per_endpoint": {"solubility-aqsoldb": 0.82, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.583, "cyp3a4-substrate-carbonmangels": 0.646, "ld50-zhu": 0.458, "herg": 0.581, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "0", "pAct_q10": 5.478060309717641, "aff_pf": -1.6458815336227417, "aff_hs": -0.21889225641886392, "repeats_pf": {"runs": 3, "values": [-1.6723, -1.628, -1.6373], "mean": -1.6459, "spread": 0.0443}, "repeats_hs": {"runs": 3, "values": [-0.1967, -0.1964, -0.2635], "mean": -0.2189, "spread": 0.0671}, "at": 1789370759}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.314, "total_ci95": [61.4, 62.583], "relegate_reason": [], "submitted_at": 1789352912, "scored_at": 1789370759, "rank": 761}, {"candidate_id": "ODC-FB2BC1", "res_at": 1786918576, "skeleton": "RROOYAMSNQXHJN", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.984, "axes": {"activity": 13.32, "binding": 17.9, "selectivity": 14.82, "admet": 7.52, "novelty": 4.63, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.399, "fraction": 0.444}, "binding": {"pIC50": 7.69, "LE": 0.479, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.3, "selectivity_term": 0.828, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.432, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.586, "herg": 0.751, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.398902497831087, "aff_pf": -1.6854019959767659, "aff_hs": -0.029575854539871216, "repeats_pf": {"runs": 3, "values": [-1.6587, -1.5869, -1.8107], "mean": -1.6854, "spread": 0.2238}, "repeats_hs": {"runs": 3, "values": [0.0895, -0.0612, -0.117], "mean": -0.0296, "spread": 0.2065}, "at": 1786918576}, "tier": 1, "relegate_reason": [], "submitted_at": 1786918402, "scored_at": 1786918576, "alerts": [], "rank": 762}, {"candidate_id": "ODC-5243D8", "res_at": 1786906570, "skeleton": "PILVEWWBFXYDFM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.978, "axes": {"activity": 14.01, "binding": 18.54, "selectivity": 14.03, "admet": 6.97, "novelty": 4.37, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 7.78, "LE": 0.508, "potency_term": 0.927, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.6, "selectivity_term": 0.757, "target_engagement": 0.927}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.443, "herg": 0.907, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.440708547651536, "aff_pf": -1.7807019154230754, "aff_hs": -0.26738282044728595, "repeats_pf": {"runs": 3, "values": [-1.7795, -1.7443, -1.8183], "mean": -1.7807, "spread": 0.0741}, "repeats_hs": {"runs": 3, "values": [-0.2767, -0.2154, -0.31], "mean": -0.2674, "spread": 0.0946}, "at": 1786906570}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892693, "scored_at": 1786906570, "alerts": [], "rank": 763}, {"candidate_id": "ODC-535E1E", "res_at": 1787580124, "skeleton": "UPTITOQDWOGORM", "hf_user": "Ku-ku", "display_name": "KK-M-0824-49", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 61.978, "axes": {"activity": 24.88, "binding": 14.38, "selectivity": 8.41, "admet": 5.39, "novelty": 5.45, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.093, "fraction": 0.829}, "binding": {"pIC50": 7.16, "LE": 0.377, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.438, "cyp3a4-substrate-carbonmangels": 0.782, "ld50-zhu": 0.41, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.092858247789702, "aff_pf": -1.1566100120544434, "aff_hs": 0.012943680087725321, "repeats_pf": {"runs": 3, "values": [-1.1011, -1.3051, -1.0636], "mean": -1.1566, "spread": 0.2416}, "repeats_hs": {"runs": 3, "values": [0.0881, 0.1093, -0.1585], "mean": 0.0129, "spread": 0.2678}, "at": 1787580124}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578590, "scored_at": 1787580124, "alerts": [], "rank": 764}, {"candidate_id": "ODC-680BDC", "res_at": 1787154817, "skeleton": "NCWVOHPNAJVGNK", "hf_user": "Ku-ku", "display_name": "M26_5F_SEt_Br3F", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 61.966, "axes": {"activity": 16.42, "binding": 16.79, "selectivity": 13.34, "admet": 6.55, "novelty": 5.09, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.585, "fraction": 0.547}, "binding": {"pIC50": 7.52, "LE": 0.468, "potency_term": 0.839, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.8, "selectivity_term": 0.795, "target_engagement": 0.839}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 0.514, "ld50-zhu": 0.425, "herg": 0.824, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.585460585527462, "aff_pf": -1.5183351437250774, "aff_hs": 0.07089125985900561, "repeats_pf": {"runs": 3, "values": [-1.5635, -1.5044, -1.4871], "mean": -1.5183, "spread": 0.0764}, "repeats_hs": {"runs": 3, "values": [0.0834, 0.0416, 0.0876], "mean": 0.0709, "spread": 0.046}, "at": 1787154817}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148057, "scored_at": 1787154817, "alerts": [], "rank": 765}, {"candidate_id": "ODC-265A7E", "res_at": 1786906011, "skeleton": "KTCUEJSVGJNXTB", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.963, "axes": {"activity": 13.81, "binding": 19.49, "selectivity": 11.03, "admet": 8.13, "novelty": 5.04, "synthesis": 4.47}, "detail": {"activity": {"pAct_q10": 5.429, "fraction": 0.46}, "binding": {"pIC50": 7.92, "LE": 0.493, "potency_term": 0.975, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.5, "selectivity_term": 0.566, "target_engagement": 0.975}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.573, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.397, "herg": 0.869, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.428668873224689, "aff_pf": -1.9237947463989258, "aff_hs": -0.7924025654792786, "repeats_pf": {"runs": 3, "values": [-1.9183, -1.9511, -1.9019], "mean": -1.9238, "spread": 0.0492}, "repeats_hs": {"runs": 3, "values": [-0.8091, -0.829, -0.7391], "mean": -0.7924, "spread": 0.0898}, "at": 1786906011}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892628, "scored_at": 1786906011, "alerts": [], "rank": 766}, {"candidate_id": "ODC-72F0F1", "res_at": 1789961938, "skeleton": "NLIZLJWWAAAEMT", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.955, "axes": {"activity": 16.31, "binding": 19.54, "selectivity": 9.7, "admet": 6.42, "novelty": 5.54, "synthesis": 4.45}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 7.93, "LE": 0.472, "potency_term": 0.977, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.741, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.635, "herg": 0.389, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.578754622974198, "aff_pf": -1.9305498600006104, "aff_hs": -0.9377576112747192, "repeats_pf": {"runs": 3, "values": [-1.9532, -1.9735, -1.865], "mean": -1.9305, "spread": 0.1085}, "repeats_hs": {"runs": 3, "values": [-0.9612, -0.9428, -0.9093], "mean": -0.9378, "spread": 0.0518}, "at": 1789961938}, "tier": 1, "alerts": [], "total_sd": 0.707, "total_ci95": [60.473, 63.047], "relegate_reason": [], "submitted_at": 1789889229, "scored_at": 1789961938, "rank": 767}, {"candidate_id": "ODC-99A250", "res_at": 1787223223, "skeleton": "UKBNPJBBFWSOSD", "hf_user": "takutoyo", "display_name": "PfD9-C5", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 61.947, "axes": {"activity": 27.7, "binding": 13.82, "selectivity": 5.48, "admet": 5.26, "novelty": 6.11, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 6.262, "fraction": 0.923}, "binding": {"pIC50": 7.07, "LE": 0.373, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.2620962872771715, "aff_pf": -1.0725132822990417, "aff_hs": -0.27856919666131336, "repeats_pf": {"runs": 3, "values": [-0.9411, -1.1293, -1.1472], "mean": -1.0725, "spread": 0.2061}, "repeats_hs": {"runs": 3, "values": [-0.4382, -0.229, -0.1685], "mean": -0.2786, "spread": 0.2697}, "at": 1787223223}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218739, "scored_at": 1787223223, "alerts": [], "rank": 768}, {"candidate_id": "ODC-6AFF74", "res_at": 1787737014, "skeleton": "ICINLRDPQXMUMH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········cc1Br", "total": 61.916, "axes": {"activity": 20.57, "binding": 17.46, "selectivity": 9.61, "admet": 5.55, "novelty": 5.29, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.834, "fraction": 0.686}, "binding": {"pIC50": 7.62, "LE": 0.418, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.55, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.491, "herg": 0.607, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.83406634609088, "aff_pf": -1.6194796959559123, "aff_hs": -0.5193734566370646, "repeats_pf": {"runs": 3, "values": [-1.6093, -1.6374, -1.6118], "mean": -1.6195, "spread": 0.0281}, "repeats_hs": {"runs": 3, "values": [-0.3403, -0.5916, -0.6262], "mean": -0.5194, "spread": 0.2859}, "at": 1787737014}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736072, "scored_at": 1787737014, "alerts": [], "rank": 769}, {"candidate_id": "ODC-684DD0", "res_at": 1786927023, "skeleton": "CIASNAFRCFITTO", "hf_user": "choa712", "display_name": "LUCY-G01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.906, "axes": {"activity": 23.6, "binding": 16.76, "selectivity": 8.36, "admet": 5.49, "novelty": 3.9, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.016, "fraction": 0.787}, "binding": {"pIC50": 7.51, "LE": 0.396, "potency_term": 0.838, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.499, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.639, "ld50-zhu": 0.431, "herg": 0.177, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 6.0159615571098595, "aff_pf": -1.513550599416097, "aff_hs": -0.5151927669843038, "repeats_pf": {"runs": 3, "values": [-1.5285, -1.5174, -1.4947], "mean": -1.5136, "spread": 0.0338}, "repeats_hs": {"runs": 3, "values": [-0.4505, -0.5456, -0.5495], "mean": -0.5152, "spread": 0.0991}, "at": 1786927023}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923642, "scored_at": 1786927023, "alerts": [], "rank": 770}, {"candidate_id": "ODC-D9F8F7", "res_at": 1787903448, "skeleton": "ZTYVDTJGFAMGRZ", "hf_user": "Ku-ku", "display_name": "KK-M-0828-P6", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 61.9, "axes": {"activity": 25.0, "binding": 17.16, "selectivity": 6.27, "admet": 4.05, "novelty": 6.23, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 6.1, "fraction": 0.833}, "binding": {"pIC50": 7.57, "LE": 0.384, "potency_term": 0.858, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.365, "target_engagement": 0.858}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.068, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.099791840036143, "aff_pf": -1.573313554128011, "aff_hs": -0.8427543044090271, "repeats_pf": {"runs": 3, "values": [-1.6118, -1.5162, -1.5919], "mean": -1.5733, "spread": 0.0956}, "repeats_hs": {"runs": 3, "values": [-0.951, -0.7917, -0.7856], "mean": -0.8428, "spread": 0.1653}, "at": 1787903448}, "tier": 1, "relegate_reason": [], "submitted_at": 1787893508, "scored_at": 1787903448, "alerts": [], "rank": 771}, {"candidate_id": "ODC-EFD441", "res_at": 1789524505, "skeleton": "MBJXUGXFGAPJDT", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 61.889, "axes": {"activity": 11.8, "binding": 18.7, "selectivity": 17.3, "admet": 4.98, "novelty": 4.91, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 7.81, "LE": 0.446, "potency_term": 0.935, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.8, "selectivity_term": 0.925, "target_engagement": 0.935}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.406, "cyp2c9-veith": 0.073, "cyp3a4-substrate-carbonmangels": 0.083, "ld50-zhu": 0.656, "herg": 0.05, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.30770333698639, "aff_pf": -1.8057341575622559, "aff_hs": 0.044546693563461304, "repeats_pf": {"runs": 3, "values": [-1.8599, -1.8221, -1.7352], "mean": -1.8057, "spread": 0.1247}, "repeats_hs": {"runs": 3, "values": [0.1435, -0.0855, 0.0756], "mean": 0.0445, "spread": 0.229}, "at": 1789524505}, "tier": 1, "alerts": [], "total_sd": 0.985, "total_ci95": [59.9, 63.535], "relegate_reason": [], "submitted_at": 1789524293, "scored_at": 1789524505, "rank": 772}, {"candidate_id": "ODC-F9E070", "res_at": 1788167401, "skeleton": "PUAXYWNYPONUMA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R06", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 61.861, "axes": {"activity": 19.22, "binding": 17.52, "selectivity": 11.34, "admet": 5.09, "novelty": 5.13, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.753, "fraction": 0.641}, "binding": {"pIC50": 7.69, "LE": 0.293, "potency_term": 0.898, "efficiency_cap": 0.976}, "selectivity": {"fold": 18.4, "selectivity_term": 0.632, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.292, "dili": 0.135}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.753118255641158, "aff_pf": -1.692623456319173, "aff_hs": -0.42898043990135193, "repeats_pf": {"runs": 3, "values": [-1.7123, -1.7085, -1.6571], "mean": -1.6926, "spread": 0.0551}, "repeats_hs": {"runs": 3, "values": [-0.4724, -0.3226, -0.4919], "mean": -0.429, "spread": 0.1693}, "at": 1788167401}, "tier": 1, "alerts": [], "total_sd": 0.579, "total_ci95": [60.829, 62.904], "relegate_reason": [], "submitted_at": 1788165712, "scored_at": 1788167401, "rank": 773}, {"candidate_id": "ODC-57F75D", "res_at": 1790023812, "skeleton": "LTDYCULCPLQKAL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(c··········C1CC1", "total": 61.852, "axes": {"activity": 25.65, "binding": 17.76, "selectivity": 6.09, "admet": 4.11, "novelty": 5.33, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 6.139, "fraction": 0.855}, "binding": {"pIC50": 7.66, "LE": 0.375, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.343, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.686, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.303, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.175}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "0", "pAct_q10": 6.13912618490264, "aff_pf": -1.6637049516042073, "aff_hs": -0.9777559041976929, "repeats_pf": {"runs": 3, "values": [-1.5861, -1.7766, -1.6284], "mean": -1.6637, "spread": 0.1906}, "repeats_hs": {"runs": 3, "values": [-1.0315, -0.9135, -0.9882], "mean": -0.9778, "spread": 0.118}, "at": 1790023812}, "tier": 1, "alerts": [], "total_sd": 1.034, "total_ci95": [60.129, 64.201], "relegate_reason": [], "submitted_at": 1790009089, "scored_at": 1790023812, "rank": 774}, {"candidate_id": "ODC-AB7B08", "res_at": 1786959487, "skeleton": "OGJFCLAVUYCAIU", "hf_user": "PhD-Shin", "display_name": "PhD-Shin A2", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.844, "axes": {"activity": 23.23, "binding": 16.24, "selectivity": 8.96, "admet": 5.9, "novelty": 3.77, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.994, "fraction": 0.774}, "binding": {"pIC50": 7.44, "LE": 0.443, "potency_term": 0.812, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.552, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.38, "herg": 0.667, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "2", "pAct_q10": 5.994029553945051, "aff_pf": -1.4364138841629028, "aff_hs": -0.33287129799524945, "repeats_pf": {"runs": 3, "values": [-1.4898, -1.46, -1.3594], "mean": -1.4364, "spread": 0.1304}, "repeats_hs": {"runs": 3, "values": [-0.4984, -0.0179, -0.4823], "mean": -0.3329, "spread": 0.4805}, "at": 1786959487}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958957, "scored_at": 1786959487, "alerts": [], "rank": 775}, {"candidate_id": "ODC-9DE5B5", "res_at": 1789621451, "skeleton": "RBOJSOOZEWIYLJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········c1CCF", "total": 61.837, "axes": {"activity": 17.4, "binding": 17.76, "selectivity": 12.26, "admet": 5.62, "novelty": 4.86, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 7.66, "LE": 0.404, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.0, "selectivity_term": 0.69, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.421, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.643770759729438, "aff_pf": -1.6638120810190837, "aff_hs": -0.2834461033344269, "repeats_pf": {"runs": 3, "values": [-1.5678, -1.7379, -1.6857], "mean": -1.6638, "spread": 0.17}, "repeats_hs": {"runs": 3, "values": [-0.7575, -0.0357, -0.0571], "mean": -0.2834, "spread": 0.7218}, "at": 1789621451}, "tier": 1, "alerts": [], "total_sd": 2.012, "total_ci95": [57.354, 65.479], "relegate_reason": [], "submitted_at": 1789618975, "scored_at": 1789621451, "rank": 776}, {"candidate_id": "ODC-0BB8F9", "res_at": 1788583543, "skeleton": "AZXNKXSXIHWZBB", "hf_user": "Bio-JS", "display_name": "0905-S1-01 SCHF2/H/Me/Cl", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 61.816, "axes": {"activity": 22.19, "binding": 16.31, "selectivity": 8.76, "admet": 6.44, "novelty": 4.28, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.931, "fraction": 0.74}, "binding": {"pIC50": 7.45, "LE": 0.464, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.856, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.272, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "0", "pAct_q10": 5.931359144934883, "aff_pf": -1.4461402893066406, "aff_hs": -0.37173888087272644, "repeats_pf": {"runs": 3, "values": [-1.4482, -1.4582, -1.432], "mean": -1.4461, "spread": 0.0262}, "repeats_hs": {"runs": 3, "values": [-0.5229, -0.3156, -0.2767], "mean": -0.3717, "spread": 0.2461}, "at": 1788583543}, "tier": 1, "alerts": [], "total_sd": 0.522, "total_ci95": [60.712, 62.7], "relegate_reason": [], "submitted_at": 1788559459, "scored_at": 1788583543, "rank": 777}, {"candidate_id": "ODC-293533", "res_at": 1786917647, "skeleton": "GKCFDKCRKNWLRZ", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 61.798, "axes": {"activity": 7.82, "binding": 19.48, "selectivity": 17.45, "admet": 7.15, "novelty": 6.07, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.069, "fraction": 0.261}, "binding": {"pIC50": 7.92, "LE": 0.472, "potency_term": 0.974, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.8, "selectivity_term": 0.896, "target_engagement": 0.974}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.677, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.558, "herg": 0.388, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.068986314896413, "aff_pf": -1.9219825665156047, "aff_hs": -0.13088409105936685, "repeats_pf": {"runs": 3, "values": [-1.9456, -1.9149, -1.9055], "mean": -1.922, "spread": 0.04}, "repeats_hs": {"runs": 3, "values": [-0.1256, -0.234, -0.033], "mean": -0.1309, "spread": 0.201}, "at": 1786917647}, "tier": 1, "relegate_reason": [], "submitted_at": 1786916286, "scored_at": 1786917647, "alerts": [], "rank": 778}, {"candidate_id": "ODC-0C99F9", "res_at": 1787172574, "skeleton": "CSHBJJOIRVSGMF", "hf_user": "1Dmeds", "display_name": "ODC26-FN-05", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.729, "axes": {"activity": 22.1, "binding": 16.05, "selectivity": 10.46, "admet": 6.05, "novelty": 3.27, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.926, "fraction": 0.737}, "binding": {"pIC50": 7.41, "LE": 0.441, "potency_term": 0.802, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.652, "target_engagement": 0.802}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.309, "ld50-zhu": 0.32, "herg": 0.864, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.593, "novelty": 0.407}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.926213499785896, "aff_pf": -1.4068946838378906, "aff_hs": -0.10320594410101573, "repeats_pf": {"runs": 3, "values": [-1.3841, -1.4114, -1.4251], "mean": -1.4069, "spread": 0.041}, "repeats_hs": {"runs": 3, "values": [0.1328, -0.3939, -0.0485], "mean": -0.1032, "spread": 0.5267}, "at": 1787172574}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171646, "scored_at": 1787172574, "alerts": [], "rank": 779}, {"candidate_id": "ODC-F105B2", "res_at": 1787082967, "skeleton": "JCUINRHCUIVPNB", "hf_user": "1Dmeds", "display_name": "ODC26-MB-24", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 61.725, "axes": {"activity": 20.92, "binding": 16.75, "selectivity": 10.95, "admet": 4.55, "novelty": 5.11, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.855, "fraction": 0.697}, "binding": {"pIC50": 7.51, "LE": 0.447, "potency_term": 0.837, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.3, "selectivity_term": 0.654, "target_engagement": 0.837}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.055, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.385, "herg": 0.762, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.855246720966114, "aff_pf": -1.511794884999593, "aff_hs": -0.2038716326157252, "repeats_pf": {"runs": 3, "values": [-1.5809, -1.433, -1.5215], "mean": -1.5118, "spread": 0.1479}, "repeats_hs": {"runs": 3, "values": [-0.082, -0.278, -0.2516], "mean": -0.2039, "spread": 0.196}, "at": 1787082967}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069763, "scored_at": 1787082967, "alerts": [], "rank": 780}, {"candidate_id": "ODC-A76062", "res_at": 1788553892, "skeleton": "MMUYIIKDMVELMD", "hf_user": "1Dmeds", "display_name": "ODC26-S1D09", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········)CCC1", "total": 61.717, "axes": {"activity": 26.26, "binding": 12.13, "selectivity": 8.42, "admet": 5.23, "novelty": 6.19, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.175, "fraction": 0.875}, "binding": {"pIC50": 6.9, "LE": 0.287, "potency_term": 0.635, "efficiency_cap": 0.955}, "selectivity": {"fold": 21.2, "selectivity_term": 0.663, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.901, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.639, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.175465965489221, "aff_pf": -0.9044975439707438, "aff_hs": 0.42135974764823914, "repeats_pf": {"runs": 3, "values": [-0.7004, -1.0797, -0.9333], "mean": -0.9045, "spread": 0.3793}, "repeats_hs": {"runs": 3, "values": [0.2955, 0.3312, 0.6374], "mean": 0.4214, "spread": 0.3419}, "at": 1788553892}, "tier": 1, "alerts": [], "total_sd": 1.672, "total_ci95": [58.684, 64.945], "relegate_reason": [], "submitted_at": 1788517796, "scored_at": 1788553892, "rank": 781}, {"candidate_id": "ODC-712D70", "res_at": 1787632269, "skeleton": "GYVBNIJVVLFVML", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 61.715, "axes": {"activity": 13.61, "binding": 18.74, "selectivity": 13.68, "admet": 7.23, "novelty": 4.45, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.454}, "binding": {"pIC50": 7.81, "LE": 0.412, "potency_term": 0.937, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.9, "selectivity_term": 0.73, "target_engagement": 0.937}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.463, "cyp3a4-substrate-carbonmangels": 0.162, "ld50-zhu": 0.626, "herg": 0.391, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.416471160701115, "aff_pf": -1.8102565209070842, "aff_hs": -0.34966033697128296, "repeats_pf": {"runs": 3, "values": [-1.816, -1.8622, -1.7526], "mean": -1.8103, "spread": 0.1096}, "repeats_hs": {"runs": 3, "values": [-0.4153, -0.3294, -0.3043], "mean": -0.3497, "spread": 0.1109}, "at": 1787632269}, "tier": 1, "relegate_reason": [], "submitted_at": 1787624374, "scored_at": 1787632269, "alerts": [], "rank": 782}, {"candidate_id": "ODC-3BE8F6", "res_at": 1786843156, "skeleton": "MIJGANVZVSHOTM", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.712, "axes": {"activity": 16.02, "binding": 17.63, "selectivity": 13.41, "admet": 6.48, "novelty": 4.41, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.64, "LE": 0.499, "potency_term": 0.882, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.2, "selectivity_term": 0.76, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.428, "cyp3a4-substrate-carbonmangels": 0.537, "ld50-zhu": 0.513, "herg": 0.224, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "1", "pAct_q10": 5.561156438552604, "aff_pf": -1.6445184548695881, "aff_hs": -0.1238047828276952, "repeats_pf": {"runs": 3, "values": [-1.6512, -1.6478, -1.6346], "mean": -1.6445, "spread": 0.0165}, "repeats_hs": {"runs": 3, "values": [-0.1222, -0.0189, -0.2303], "mean": -0.1238, "spread": 0.2115}, "at": 1786843156}, "tier": 1, "relegate_reason": [], "submitted_at": 1786811214, "scored_at": 1786843156, "alerts": [], "rank": 783}, {"candidate_id": "ODC-4C1E8A", "res_at": 1786931156, "skeleton": "WHJHAHGHSLZIAU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 61.707, "axes": {"activity": 23.79, "binding": 15.22, "selectivity": 9.72, "admet": 4.89, "novelty": 4.83, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.027, "fraction": 0.793}, "binding": {"pIC50": 7.28, "LE": 0.37, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.9, "selectivity_term": 0.639, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.51, "herg": 0.237, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 6.027203477857353, "aff_pf": -1.2832842270533245, "aff_hs": -0.005690718690554301, "repeats_pf": {"runs": 3, "values": [-1.3028, -1.339, -1.2081], "mean": -1.2833, "spread": 0.131}, "repeats_hs": {"runs": 3, "values": [-0.1109, -0.3348, 0.4286], "mean": -0.0057, "spread": 0.7634}, "at": 1786931156}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924656, "scored_at": 1786931156, "alerts": [], "rank": 784}, {"candidate_id": "ODC-03218D", "res_at": 1788522982, "skeleton": "GFTPMPUIZGAKII", "hf_user": "Bio-JS", "display_name": "0904-S1 P0/oxetaneCC/spiroSO", "model_name": "Bio-JS", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)COC1", "total": 61.696, "axes": {"activity": 14.8, "binding": 16.84, "selectivity": 17.79, "admet": 3.99, "novelty": 5.82, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.488, "fraction": 0.493}, "binding": {"pIC50": 7.67, "LE": 0.284, "potency_term": 0.89, "efficiency_cap": 0.947}, "selectivity": {"fold": 198.8, "selectivity_term": 1.0, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.399, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.325}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "0", "pAct_q10": 5.488054926095872, "aff_pf": -1.6687791347503662, "aff_hs": 0.6296559572219849, "repeats_pf": {"runs": 3, "values": [-1.675, -1.6475, -1.6839], "mean": -1.6688, "spread": 0.0364}, "repeats_hs": {"runs": 3, "values": [0.5415, 0.7085, 0.639], "mean": 0.6297, "spread": 0.167}, "at": 1788522982}, "tier": 1, "alerts": [], "total_sd": 0.198, "total_ci95": [61.242, 62.019], "relegate_reason": [], "submitted_at": 1788488016, "scored_at": 1788522982, "rank": 785}, {"candidate_id": "ODC-E65B5A", "res_at": 1786918039, "skeleton": "MCWWFDHNBGPFHB", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 61.676, "axes": {"activity": 16.22, "binding": 17.1, "selectivity": 13.59, "admet": 6.12, "novelty": 5.21, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.573, "fraction": 0.541}, "binding": {"pIC50": 7.56, "LE": 0.432, "potency_term": 0.855, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.9, "selectivity_term": 0.795, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.765, "ld50-zhu": 0.509, "herg": 0.625, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.572986821076394, "aff_pf": -1.564673662185669, "aff_hs": 0.025142431259155273, "repeats_pf": {"runs": 3, "values": [-1.5565, -1.5534, -1.5841], "mean": -1.5647, "spread": 0.0307}, "repeats_hs": {"runs": 3, "values": [0.3887, -0.1734, -0.1399], "mean": 0.0251, "spread": 0.5621}, "at": 1786918039}, "tier": 1, "relegate_reason": [], "submitted_at": 1786917855, "scored_at": 1786918039, "alerts": [], "rank": 786}, {"candidate_id": "ODC-F54110", "res_at": 1789199934, "skeleton": "DJTNBKBRHWJOLN", "hf_user": "Bio-JS", "display_name": "0912-S1-x5_Br", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.658, "axes": {"activity": 16.13, "binding": 18.15, "selectivity": 12.85, "admet": 6.34, "novelty": 4.3, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 7.72, "LE": 0.46, "potency_term": 0.907, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.1, "selectivity_term": 0.708, "target_engagement": 0.907}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.463, "herg": 0.498, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.567978219618326, "aff_pf": -1.7223183711369832, "aff_hs": -0.30594053864479065, "repeats_pf": {"runs": 3, "values": [-1.7207, -1.7214, -1.7249], "mean": -1.7223, "spread": 0.0042}, "repeats_hs": {"runs": 3, "values": [-0.3045, -0.4036, -0.2097], "mean": -0.3059, "spread": 0.194}, "at": 1789199934}, "tier": 1, "alerts": [], "total_sd": 0.388, "total_ci95": [61.037, 62.312], "relegate_reason": [], "submitted_at": 1789177495, "scored_at": 1789199934, "rank": 787}, {"candidate_id": "ODC-B53C59", "res_at": 1787724994, "skeleton": "RDRDBYPQSAMGHB", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R7", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 61.617, "axes": {"activity": 24.36, "binding": 13.74, "selectivity": 10.57, "admet": 4.62, "novelty": 5.09, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 6.061, "fraction": 0.812}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.687, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.6, "selectivity_term": 0.77, "target_engagement": 0.687}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.953, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.47, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.061484643842928, "aff_pf": -1.0602604548136394, "aff_hs": 0.47922948996225995, "repeats_pf": {"runs": 3, "values": [-0.9862, -1.1255, -1.069], "mean": -1.0603, "spread": 0.1393}, "repeats_hs": {"runs": 3, "values": [0.5667, 0.478, 0.3931], "mean": 0.4792, "spread": 0.1736}, "at": 1787724994}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719816, "scored_at": 1787724994, "alerts": [], "rank": 788}, {"candidate_id": "ODC-4DD785", "res_at": 1787284595, "skeleton": "VBDZOGDYKLQEHG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 61.603, "axes": {"activity": 30.0, "binding": 8.25, "selectivity": 5.28, "admet": 6.93, "novelty": 7.27, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.407, "fraction": 1.0}, "binding": {"pIC50": 6.43, "LE": 0.259, "potency_term": 0.477, "efficiency_cap": 0.864}, "selectivity": {"fold": 12.8, "selectivity_term": 0.553, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.402, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.765, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.69, "ld50-zhu": 0.561, "herg": 0.201, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.40673712239458, "aff_pf": -0.4324478209018707, "aff_hs": 0.674143115679423, "repeats_pf": {"runs": 3, "values": [-0.413, -0.3889, -0.4954], "mean": -0.4324, "spread": 0.1065}, "repeats_hs": {"runs": 3, "values": [0.7978, 0.6058, 0.6189], "mean": 0.6741, "spread": 0.192}, "at": 1787284595}, "tier": 1, "relegate_reason": [], "submitted_at": 1787281010, "scored_at": 1787284595, "alerts": [], "rank": 789}, {"candidate_id": "ODC-95C8A3", "res_at": 1786888100, "skeleton": "WZIPKHYEOPQHHT", "hf_user": "PhD-Shin", "display_name": "PhD-Shin S1-A", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 61.595, "axes": {"activity": 21.82, "binding": 15.07, "selectivity": 11.62, "admet": 5.33, "novelty": 4.45, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.909, "fraction": 0.727}, "binding": {"pIC50": 7.26, "LE": 0.432, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.8, "selectivity_term": 0.771, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.738, "ld50-zhu": 0.401, "herg": 0.729, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.909096553766883, "aff_pf": -1.2604680458704631, "aff_hs": 0.28105974445740384, "repeats_pf": {"runs": 3, "values": [-1.1095, -1.479, -1.1929], "mean": -1.2605, "spread": 0.3695}, "repeats_hs": {"runs": 3, "values": [0.2292, 0.5739, 0.0402], "mean": 0.2811, "spread": 0.5337}, "at": 1786888100}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879870, "scored_at": 1786888100, "alerts": [], "rank": 790}, {"candidate_id": "ODC-807AFA", "res_at": 1787904062, "skeleton": "UBIGOPAZYSQQIG", "hf_user": "Bio-JS", "display_name": "A1 메타-F x 싸이에탄/에타이닐/설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 61.592, "axes": {"activity": 20.12, "binding": 16.14, "selectivity": 13.46, "admet": 3.23, "novelty": 5.66, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.807, "fraction": 0.671}, "binding": {"pIC50": 7.64, "LE": 0.275, "potency_term": 0.879, "efficiency_cap": 0.918}, "selectivity": {"fold": 34.0, "selectivity_term": 0.766, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.456, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.806971397689677, "aff_pf": -1.6371294657389324, "aff_hs": -0.10602607826391856, "repeats_pf": {"runs": 3, "values": [-1.4967, -1.7807, -1.634], "mean": -1.6371, "spread": 0.2841}, "repeats_hs": {"runs": 3, "values": [-0.1202, -0.0713, -0.1266], "mean": -0.106, "spread": 0.0553}, "at": 1787904062}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897052, "scored_at": 1787904062, "alerts": [], "rank": 791}, {"candidate_id": "ODC-248682", "res_at": 1786925155, "skeleton": "FPRNMFUVLXHJDK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········)cc1F", "total": 61.57, "axes": {"activity": 20.7, "binding": 16.51, "selectivity": 9.94, "admet": 6.14, "novelty": 4.95, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.842, "fraction": 0.69}, "binding": {"pIC50": 7.48, "LE": 0.41, "potency_term": 0.826, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.261, "ld50-zhu": 0.387, "herg": 0.741, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.8419124470332875, "aff_pf": -1.4766737620035808, "aff_hs": -0.2730574756860733, "repeats_pf": {"runs": 3, "values": [-1.4186, -1.3488, -1.6626], "mean": -1.4767, "spread": 0.3137}, "repeats_hs": {"runs": 3, "values": [-0.44, -0.1949, -0.1843], "mean": -0.2731, "spread": 0.2556}, "at": 1786925155}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922450, "scored_at": 1786925155, "alerts": [], "rank": 792}, {"candidate_id": "ODC-16B0F9", "res_at": 1788565803, "skeleton": "AVKOYPCRGXFLDE", "hf_user": "1Dmeds", "display_name": "ODC26-S1D21", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 61.564, "axes": {"activity": 19.8, "binding": 17.29, "selectivity": 11.64, "admet": 3.57, "novelty": 6.25, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.788, "fraction": 0.66}, "binding": {"pIC50": 7.78, "LE": 0.28, "potency_term": 0.925, "efficiency_cap": 0.934}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.402, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.594, "herg": 0.05, "dili": 0.138}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "0", "pAct_q10": 5.788178806649406, "aff_pf": -1.7756352821985881, "aff_hs": -0.5178102552890778, "repeats_pf": {"runs": 3, "values": [-1.7516, -1.7268, -1.8485], "mean": -1.7756, "spread": 0.1217}, "repeats_hs": {"runs": 3, "values": [-0.6267, -0.3775, -0.5492], "mean": -0.5178, "spread": 0.2492}, "at": 1788565803}, "tier": 1, "alerts": [], "total_sd": 1.003, "total_ci95": [59.899, 64.031], "relegate_reason": [], "submitted_at": 1788555500, "scored_at": 1788565803, "rank": 793}, {"candidate_id": "ODC-A1F0D6", "res_at": 1787407565, "skeleton": "BHOZNZPFWQBCAC", "hf_user": "takutoyo", "display_name": "PfD13-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 61.526, "axes": {"activity": 12.64, "binding": 18.79, "selectivity": 10.82, "admet": 10.2, "novelty": 5.89, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 7.82, "LE": 0.446, "potency_term": 0.939, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.576, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.724, "per_endpoint": {"solubility-aqsoldb": 0.612, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.551, "herg": 1.0, "dili": 0.12}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.3583392846300075, "aff_pf": -1.8183148701985676, "aff_hs": -0.6664216915766398, "repeats_pf": {"runs": 3, "values": [-1.7755, -1.8375, -1.842], "mean": -1.8183, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [-0.7406, -0.634, -0.6247], "mean": -0.6664, "spread": 0.1159}, "at": 1787407565}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787406680, "scored_at": 1787407565, "rank": 794}, {"candidate_id": "ODC-296237", "res_at": 1789887998, "skeleton": "LESQIZVTWVCPRA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 61.519, "axes": {"activity": 22.44, "binding": 18.06, "selectivity": 6.99, "admet": 5.24, "novelty": 5.14, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.946, "fraction": 0.748}, "binding": {"pIC50": 7.71, "LE": 0.406, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.387, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.471, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.9463536681110885, "aff_pf": -1.7095165650049846, "aff_hs": -0.9352590441703796, "repeats_pf": {"runs": 3, "values": [-1.7178, -1.6739, -1.7368], "mean": -1.7095, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [-0.6351, -1.1, -1.0706], "mean": -0.9353, "spread": 0.4649}, "at": 1789887998}, "tier": 1, "alerts": [], "total_sd": 1.14, "total_ci95": [59.784, 64.433], "relegate_reason": [], "submitted_at": 1789657728, "scored_at": 1789887998, "rank": 795}, {"candidate_id": "ODC-B7C566", "res_at": 1787229974, "skeleton": "PXRANAHVQHWCDS", "hf_user": "takutoyo", "display_name": "PfD10-15", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.517, "axes": {"activity": 11.48, "binding": 18.99, "selectivity": 13.1, "admet": 9.9, "novelty": 4.75, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.289, "fraction": 0.383}, "binding": {"pIC50": 7.85, "LE": 0.468, "potency_term": 0.95, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.9, "selectivity_term": 0.69, "target_engagement": 0.95}, "admet": {"geometric_mean": 0.695, "per_endpoint": {"solubility-aqsoldb": 0.664, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.862, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.575, "herg": 1.0, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.288960642627568, "aff_pf": -1.8487245241800945, "aff_hs": -0.46950780351956684, "repeats_pf": {"runs": 3, "values": [-1.8391, -1.8734, -1.8336], "mean": -1.8487, "spread": 0.0398}, "repeats_hs": {"runs": 3, "values": [-0.4993, -0.5045, -0.4048], "mean": -0.4695, "spread": 0.0997}, "at": 1787229974}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787227326, "scored_at": 1787229974, "rank": 796}, {"candidate_id": "ODC-BE5416", "res_at": 1789998084, "skeleton": "ROOKJMMGVUSMEN", "hf_user": "Bio-JS", "display_name": "0921-S1-28", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.512, "axes": {"activity": 15.53, "binding": 17.64, "selectivity": 11.56, "admet": 7.8, "novelty": 4.93, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 7.65, "LE": 0.476, "potency_term": 0.882, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.655, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.901, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.655, "cyp3a4-substrate-carbonmangels": 0.821, "ld50-zhu": 0.379, "herg": 0.992, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.53201184826359, "aff_pf": -1.64664359887441, "aff_hs": -0.33576558033625287, "repeats_pf": {"runs": 3, "values": [-1.6418, -1.6761, -1.6221], "mean": -1.6466, "spread": 0.0541}, "repeats_hs": {"runs": 3, "values": [-0.3909, -0.2592, -0.3572], "mean": -0.3358, "spread": 0.1316}, "at": 1789998084}, "tier": 1, "alerts": [], "total_sd": 0.439, "total_ci95": [60.729, 62.49], "relegate_reason": [], "submitted_at": 1789990610, "scored_at": 1789998084, "rank": 797}, {"candidate_id": "ODC-59C5ED", "res_at": 1787713588, "skeleton": "CDGAQOICBIJRKM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 61.505, "axes": {"activity": 28.91, "binding": 12.62, "selectivity": 3.47, "admet": 7.71, "novelty": 7.49, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 6.335, "fraction": 0.964}, "binding": {"pIC50": 6.89, "LE": 0.305, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.275, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.759, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.789, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.222, "novelty": 0.778}, "synthesis": {"sa_score": 5.05}}, "run": {"gpu": "3", "pAct_q10": 6.3345307276091525, "aff_pf": -0.8930465777715048, "aff_hs": -0.3432568808396657, "repeats_pf": {"runs": 3, "values": [-1.0534, -0.9829, -0.6428], "mean": -0.893, "spread": 0.4106}, "repeats_hs": {"runs": 3, "values": [-0.3414, -0.1997, -0.4887], "mean": -0.3433, "spread": 0.289}, "at": 1787713588}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712176, "scored_at": 1787713588, "alerts": [], "rank": 798}, {"candidate_id": "ODC-C0A569", "res_at": 1788295469, "skeleton": "FSHHSTYDERWOTN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-B-H2-cpa-g-C6-3Mepentyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········N)CC1", "total": 61.501, "axes": {"activity": 28.67, "binding": 14.28, "selectivity": 4.3, "admet": 4.52, "novelty": 6.69, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.956}, "binding": {"pIC50": 7.36, "LE": 0.272, "potency_term": 0.786, "efficiency_cap": 0.908}, "selectivity": {"fold": 3.5, "selectivity_term": 0.273, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.173, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.357, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.622, "herg": 0.227, "dili": 0.266}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 6.320358398993228, "aff_pf": -1.3587252298990886, "aff_hs": -0.8122578064600626, "repeats_pf": {"runs": 3, "values": [-1.2186, -1.3707, -1.4868], "mean": -1.3587, "spread": 0.2682}, "repeats_hs": {"runs": 3, "values": [-0.9876, -0.7877, -0.6615], "mean": -0.8123, "spread": 0.3262}, "at": 1788295469}, "tier": 1, "alerts": [], "total_sd": 1.316, "total_ci95": [59.106, 64.002], "relegate_reason": [], "submitted_at": 1788271646, "scored_at": 1788295469, "rank": 799}, {"candidate_id": "ODC-577157", "res_at": 1786939415, "skeleton": "ABOMNFZOMUTFAK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.469, "axes": {"activity": 21.58, "binding": 15.5, "selectivity": 11.96, "admet": 5.08, "novelty": 3.74, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.895, "fraction": 0.719}, "binding": {"pIC50": 7.33, "LE": 0.436, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.9, "selectivity_term": 0.771, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.127, "cyp3a4-substrate-carbonmangels": 0.296, "ld50-zhu": 0.344, "herg": 0.451, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.894557934195493, "aff_pf": -1.3256287972132366, "aff_hs": 0.21728829542795816, "repeats_pf": {"runs": 3, "values": [-1.3563, -1.2177, -1.4029], "mean": -1.3256, "spread": 0.1852}, "repeats_hs": {"runs": 3, "values": [0.1846, 0.0207, 0.4465], "mean": 0.2173, "spread": 0.4258}, "at": 1786939415}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933594, "scored_at": 1786939415, "alerts": [], "rank": 800}, {"candidate_id": "ODC-FD8D5D", "res_at": 1788568808, "skeleton": "JOHTVPSVMMXLOZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D24", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 61.463, "axes": {"activity": 27.32, "binding": 11.7, "selectivity": 7.35, "admet": 5.12, "novelty": 6.5, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.239, "fraction": 0.911}, "binding": {"pIC50": 6.89, "LE": 0.278, "potency_term": 0.631, "efficiency_cap": 0.926}, "selectivity": {"fold": 14.6, "selectivity_term": 0.582, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.461, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.059, "ld50-zhu": 0.76, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.239046145451171, "aff_pf": -0.8944910963376363, "aff_hs": 0.26876142621040344, "repeats_pf": {"runs": 3, "values": [-0.7896, -0.8301, -1.0637], "mean": -0.8945, "spread": 0.2741}, "repeats_hs": {"runs": 3, "values": [0.3405, 0.2471, 0.2186], "mean": 0.2688, "spread": 0.1219}, "at": 1788568808}, "tier": 1, "alerts": [], "total_sd": 1.281, "total_ci95": [59.66, 64.64], "relegate_reason": [], "submitted_at": 1788555520, "scored_at": 1788568808, "rank": 801}, {"candidate_id": "ODC-794AAC", "res_at": 1786894257, "skeleton": "TUJIVZRMHPSRCP", "hf_user": "choa712", "display_name": "LUCY-L7-07", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 61.441, "axes": {"activity": 19.05, "binding": 16.99, "selectivity": 11.79, "admet": 5.04, "novelty": 5.07, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.743, "fraction": 0.635}, "binding": {"pIC50": 7.55, "LE": 0.45, "potency_term": 0.85, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.4, "selectivity_term": 0.694, "target_engagement": 0.85}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.057, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.64, "ld50-zhu": 0.501, "herg": 0.712, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 5.743093623566985, "aff_pf": -1.5486927032470703, "aff_hs": -0.16108723233143488, "repeats_pf": {"runs": 3, "values": [-1.551, -1.4849, -1.6102], "mean": -1.5487, "spread": 0.1253}, "repeats_hs": {"runs": 3, "values": [-0.1554, -0.0659, -0.262], "mean": -0.1611, "spread": 0.1961}, "at": 1786894257}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887425, "scored_at": 1786894257, "alerts": [], "rank": 802}, {"candidate_id": "ODC-4A27BC", "res_at": 1787250090, "skeleton": "UYEOJQYPFJVXCD", "hf_user": "1Dmeds", "display_name": "ODC26-R15-26", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 61.435, "axes": {"activity": 20.19, "binding": 19.16, "selectivity": 5.98, "admet": 6.21, "novelty": 6.08, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.811, "fraction": 0.673}, "binding": {"pIC50": 7.87, "LE": 0.432, "potency_term": 0.958, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.958}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.62, "ld50-zhu": 0.485, "herg": 0.339, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.81140060194056, "aff_pf": -1.8743981917699177, "aff_hs": -1.2501193284988403, "repeats_pf": {"runs": 3, "values": [-1.8913, -1.8427, -1.8892], "mean": -1.8744, "spread": 0.0486}, "repeats_hs": {"runs": 3, "values": [-1.1896, -1.3037, -1.2571], "mean": -1.2501, "spread": 0.1141}, "at": 1787250090}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242179, "scored_at": 1787250090, "alerts": [], "rank": 803}, {"candidate_id": "ODC-09A152", "res_at": 1787175609, "skeleton": "XQDNYRBYQQUVNE", "hf_user": "1Dmeds", "display_name": "ODC26-FN-21", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 61.422, "axes": {"activity": 22.45, "binding": 16.47, "selectivity": 9.86, "admet": 4.24, "novelty": 5.07, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 7.47, "LE": 0.394, "potency_term": 0.824, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.8, "selectivity_term": 0.599, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.981, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.606, "herg": 0.123, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.9471136642188736, "aff_pf": -1.4707467158635457, "aff_hs": -0.2732650389273961, "repeats_pf": {"runs": 3, "values": [-1.4273, -1.5244, -1.4606], "mean": -1.4707, "spread": 0.0971}, "repeats_hs": {"runs": 3, "values": [-0.2369, -0.2829, -0.3], "mean": -0.2733, "spread": 0.0631}, "at": 1787175609}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171793, "scored_at": 1787175609, "alerts": [], "rank": 804}, {"candidate_id": "ODC-152733", "res_at": 1786830465, "skeleton": "BFGXYULLGAEYNG", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.411, "axes": {"activity": 18.55, "binding": 16.38, "selectivity": 13.14, "admet": 6.44, "novelty": 2.99, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 5.713, "fraction": 0.618}, "binding": {"pIC50": 7.46, "LE": 0.426, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.3, "selectivity_term": 0.802, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.461, "cyp3a4-substrate-carbonmangels": 0.427, "ld50-zhu": 0.548, "herg": 0.415, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.712710854738459, "aff_pf": -1.4567083517710369, "aff_hs": 0.1482706144452095, "repeats_pf": {"runs": 3, "values": [-1.5166, -1.4343, -1.4193], "mean": -1.4567, "spread": 0.0973}, "repeats_hs": {"runs": 3, "values": [0.2266, 0.2617, -0.0435], "mean": 0.1483, "spread": 0.3051}, "at": 1786830465}, "tier": 1, "relegate_reason": [], "submitted_at": 1786792171, "scored_at": 1786830465, "alerts": [], "rank": 805}, {"candidate_id": "ODC-2459DC", "res_at": 1787046061, "skeleton": "AXBVCFLFZHGVPW", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 61.389, "axes": {"activity": 16.88, "binding": 19.59, "selectivity": 9.26, "admet": 5.45, "novelty": 6.38, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.613, "fraction": 0.563}, "binding": {"pIC50": 7.94, "LE": 0.418, "potency_term": 0.979, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.979}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.995, "ld50-zhu": 0.469, "herg": 0.218, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.612721080702975, "aff_pf": -1.9378562370936077, "aff_hs": -0.9919517636299133, "repeats_pf": {"runs": 3, "values": [-1.9478, -1.9015, -1.9643], "mean": -1.9379, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [-0.8105, -0.8863, -1.279], "mean": -0.992, "spread": 0.4685}, "at": 1787046061}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039490, "scored_at": 1787046061, "alerts": [], "rank": 806}, {"candidate_id": "ODC-DFF5C0", "res_at": 1786935687, "skeleton": "JIOOTYORLKAVTM", "hf_user": "ipsych", "display_name": "TPZ-F5-SMe-4CF3-3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.372, "axes": {"activity": 18.99, "binding": 17.27, "selectivity": 9.83, "admet": 7.11, "novelty": 4.32, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.739, "fraction": 0.633}, "binding": {"pIC50": 7.59, "LE": 0.433, "potency_term": 0.864, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.569, "target_engagement": 0.864}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.537, "cyp3a4-substrate-carbonmangels": 0.656, "ld50-zhu": 0.521, "herg": 0.661, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.739288047493298, "aff_pf": -1.5908697446187336, "aff_hs": -0.45240729053815204, "repeats_pf": {"runs": 3, "values": [-1.5925, -1.6152, -1.5649], "mean": -1.5909, "spread": 0.0503}, "repeats_hs": {"runs": 3, "values": [-0.4406, -0.4693, -0.4473], "mean": -0.4524, "spread": 0.0287}, "at": 1786935687}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926142, "scored_at": 1786935687, "alerts": [], "rank": 807}, {"candidate_id": "ODC-9002CE", "res_at": 1789263864, "skeleton": "KVUXNELUFHPAQW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 61.371, "axes": {"activity": 15.02, "binding": 17.39, "selectivity": 14.92, "admet": 5.51, "novelty": 4.56, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.501, "fraction": 0.501}, "binding": {"pIC50": 7.61, "LE": 0.417, "potency_term": 0.87, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.0, "selectivity_term": 0.858, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.978, "cyp2c9-veith": 0.654, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.464, "herg": 0.102, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.501226847175374, "aff_pf": -1.608831564585368, "aff_hs": 0.10721045235792796, "repeats_pf": {"runs": 3, "values": [-1.5645, -1.6262, -1.6357], "mean": -1.6088, "spread": 0.0712}, "repeats_hs": {"runs": 3, "values": [0.1169, 0.1229, 0.0818], "mean": 0.1072, "spread": 0.0412}, "at": 1789263864}, "tier": 1, "alerts": [], "total_sd": 0.5, "total_ci95": [60.104, 62.12], "relegate_reason": [], "submitted_at": 1789262759, "scored_at": 1789263864, "rank": 808}, {"candidate_id": "ODC-16B14B", "res_at": 1787175797, "skeleton": "ALCFCORRWQMXKH", "hf_user": "1Dmeds", "display_name": "ODC26-FN-22", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 61.365, "axes": {"activity": 19.39, "binding": 17.31, "selectivity": 10.45, "admet": 5.53, "novelty": 5.05, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.763, "fraction": 0.646}, "binding": {"pIC50": 7.6, "LE": 0.416, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.1, "selectivity_term": 0.604, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.92, "ld50-zhu": 0.396, "herg": 0.382, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.763144110217723, "aff_pf": -1.5960972706476848, "aff_hs": -0.3879595100879669, "repeats_pf": {"runs": 3, "values": [-1.5927, -1.5787, -1.6169], "mean": -1.5961, "spread": 0.0383}, "repeats_hs": {"runs": 3, "values": [-0.338, -0.4174, -0.4085], "mean": -0.388, "spread": 0.0794}, "at": 1787175797}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171801, "scored_at": 1787175797, "alerts": [], "rank": 809}, {"candidate_id": "ODC-368933", "res_at": 1789578588, "skeleton": "XVLUVDBACMUCNI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 61.362, "axes": {"activity": 24.74, "binding": 17.01, "selectivity": 5.68, "admet": 5.87, "novelty": 4.64, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.085, "fraction": 0.825}, "binding": {"pIC50": 7.55, "LE": 0.398, "potency_term": 0.85, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.85}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.396, "herg": 0.458, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 6.08459262951471, "aff_pf": -1.551044265429179, "aff_hs": -0.8827798167864481, "repeats_pf": {"runs": 3, "values": [-1.5526, -1.5966, -1.504], "mean": -1.551, "spread": 0.0926}, "repeats_hs": {"runs": 3, "values": [-0.7158, -0.9264, -1.0061], "mean": -0.8828, "spread": 0.2903}, "at": 1789578588}, "tier": 1, "alerts": [], "total_sd": 0.828, "total_ci95": [59.847, 63.163], "relegate_reason": [], "submitted_at": 1789571891, "scored_at": 1789578588, "rank": 810}, {"candidate_id": "ODC-71341C", "res_at": 1786902141, "skeleton": "STWZOLFKTGKTPD", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cc(··········nc2n1", "total": 61.361, "axes": {"activity": 22.47, "binding": 15.18, "selectivity": 9.73, "admet": 5.94, "novelty": 4.76, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.948, "fraction": 0.749}, "binding": {"pIC50": 7.28, "LE": 0.369, "potency_term": 0.759, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.1, "selectivity_term": 0.641, "target_engagement": 0.759}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.332, "cyp3a4-substrate-carbonmangels": 0.938, "ld50-zhu": 0.501, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.948406861613325, "aff_pf": -1.2775371074676514, "aff_hs": 0.0044053296248118086, "repeats_pf": {"runs": 3, "values": [-1.2308, -1.3202, -1.2817], "mean": -1.2775, "spread": 0.0894}, "repeats_hs": {"runs": 3, "values": [0.0859, 0.1562, -0.2289], "mean": 0.0044, "spread": 0.3851}, "at": 1786902141}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899437, "scored_at": 1786902141, "alerts": [], "rank": 811}, {"candidate_id": "ODC-2FAFE4", "res_at": 1787229409, "skeleton": "DEABMSWYPDIZPN", "hf_user": "takutoyo", "display_name": "PfD10-12", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.355, "axes": {"activity": 16.0, "binding": 18.13, "selectivity": 10.35, "admet": 8.99, "novelty": 4.46, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.533}, "binding": {"pIC50": 7.72, "LE": 0.423, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.661, "per_endpoint": {"solubility-aqsoldb": 0.61, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.937, "cyp3a4-substrate-carbonmangels": 0.659, "ld50-zhu": 0.523, "herg": 1.0, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.560158694646109, "aff_pf": -1.7193810939788818, "aff_hs": -0.5775096913178762, "repeats_pf": {"runs": 3, "values": [-1.7939, -1.7025, -1.6617], "mean": -1.7194, "spread": 0.1321}, "repeats_hs": {"runs": 3, "values": [-0.3579, -0.9456, -0.429], "mean": -0.5775, "spread": 0.5876}, "at": 1787229409}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787227287, "scored_at": 1787229409, "rank": 812}, {"candidate_id": "ODC-E0F794", "res_at": 1787082215, "skeleton": "IQJKFWKYGFGYKC", "hf_user": "1Dmeds", "display_name": "ODC26-MB-09", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 61.331, "axes": {"activity": 22.5, "binding": 16.57, "selectivity": 9.51, "admet": 4.42, "novelty": 4.83, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.95, "fraction": 0.75}, "binding": {"pIC50": 7.49, "LE": 0.446, "potency_term": 0.829, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.574, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.064, "caco2-wang": 0.596, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.589, "ld50-zhu": 0.345, "herg": 0.723, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.949747142212732, "aff_pf": -1.4855591456095378, "aff_hs": -0.3372361982862155, "repeats_pf": {"runs": 3, "values": [-1.3786, -1.7229, -1.3551], "mean": -1.4856, "spread": 0.3678}, "repeats_hs": {"runs": 3, "values": [-0.4283, 0.0279, -0.6113], "mean": -0.3372, "spread": 0.6393}, "at": 1787082215}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069635, "scored_at": 1787082215, "alerts": [], "rank": 813}, {"candidate_id": "ODC-F3E2F0", "res_at": 1786943120, "skeleton": "YBOVRVDMONSMDY", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.3, "axes": {"activity": 17.94, "binding": 18.17, "selectivity": 11.68, "admet": 5.91, "novelty": 3.26, "synthesis": 4.34}, "detail": {"activity": {"pAct_q10": 5.676, "fraction": 0.598}, "binding": {"pIC50": 7.72, "LE": 0.46, "potency_term": 0.908, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.3, "selectivity_term": 0.643, "target_engagement": 0.908}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.379, "ld50-zhu": 0.32, "herg": 0.84, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.642, "novelty": 0.358}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.676240320969037, "aff_pf": -1.7248626550038655, "aff_hs": -0.43857505917549133, "repeats_pf": {"runs": 3, "values": [-1.7326, -1.7309, -1.7111], "mean": -1.7249, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [-0.5863, -0.2433, -0.4861], "mean": -0.4386, "spread": 0.3431}, "at": 1786943120}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933597, "scored_at": 1786943120, "alerts": [], "rank": 814}, {"candidate_id": "ODC-8D1FAC", "res_at": 1789327584, "skeleton": "KBCMLESKCYGLLE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 61.3, "axes": {"activity": 21.08, "binding": 16.89, "selectivity": 8.91, "admet": 5.89, "novelty": 4.98, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 7.53, "LE": 0.413, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.401, "herg": 0.442, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.864607642839323, "aff_pf": -1.5336620012919109, "aff_hs": -0.4782494405905406, "repeats_pf": {"runs": 3, "values": [-1.5881, -1.5359, -1.4771], "mean": -1.5337, "spread": 0.111}, "repeats_hs": {"runs": 3, "values": [-0.4691, -0.4479, -0.5177], "mean": -0.4782, "spread": 0.0699}, "at": 1789327584}, "tier": 1, "alerts": [], "total_sd": 0.674, "total_ci95": [60.186, 62.774], "relegate_reason": [], "submitted_at": 1789318538, "scored_at": 1789327584, "rank": 815}, {"candidate_id": "ODC-307D2A", "res_at": 1786869572, "skeleton": "BEIHNFSHCGRKBH", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 61.277, "axes": {"activity": 14.41, "binding": 19.41, "selectivity": 13.21, "admet": 6.02, "novelty": 4.09, "synthesis": 4.14}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.48}, "binding": {"pIC50": 7.91, "LE": 0.471, "potency_term": 0.97, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.97}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.362, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.464863617073075, "aff_pf": -1.9110493262608845, "aff_hs": -0.5493366320927938, "repeats_pf": {"runs": 3, "values": [-1.915, -1.8711, -1.947], "mean": -1.911, "spread": 0.0759}, "repeats_hs": {"runs": 3, "values": [-0.4786, -0.6209, -0.5485], "mean": -0.5493, "spread": 0.1423}, "at": 1786869572}, "tier": 1, "relegate_reason": [], "submitted_at": 1786864258, "scored_at": 1786869572, "alerts": [], "rank": 816}, {"candidate_id": "ODC-0B8CB0", "res_at": 1786978570, "skeleton": "PFWGKCHDIXWPHD", "hf_user": "PhD-Shin", "display_name": "PhD-Shin PF-fam-A", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 61.262, "axes": {"activity": 24.45, "binding": 15.01, "selectivity": 8.39, "admet": 5.04, "novelty": 4.97, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.067, "fraction": 0.815}, "binding": {"pIC50": 7.25, "LE": 0.382, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.559, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.55, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 6.066933703524512, "aff_pf": -1.2507532835006714, "aff_hs": -0.13242472211519876, "repeats_pf": {"runs": 3, "values": [-1.2213, -1.253, -1.2779], "mean": -1.2508, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [-0.2253, -0.1787, 0.0068], "mean": -0.1324, "spread": 0.2321}, "at": 1786978570}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977017, "scored_at": 1786978570, "alerts": [], "rank": 817}, {"candidate_id": "ODC-9215C7", "res_at": 1786897376, "skeleton": "QBZISASOBDRUBK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········cc1Br", "total": 61.26, "axes": {"activity": 15.5, "binding": 17.97, "selectivity": 14.25, "admet": 5.55, "novelty": 4.26, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.53, "fraction": 0.517}, "binding": {"pIC50": 7.69, "LE": 0.479, "potency_term": 0.898, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.6, "selectivity_term": 0.793, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.193, "ld50-zhu": 0.427, "herg": 0.45, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.529823224765654, "aff_pf": -1.6949381828308105, "aff_hs": -0.10827203840017319, "repeats_pf": {"runs": 3, "values": [-1.7387, -1.6849, -1.6612], "mean": -1.6949, "spread": 0.0775}, "repeats_hs": {"runs": 3, "values": [-0.0662, -0.0911, -0.1676], "mean": -0.1083, "spread": 0.1014}, "at": 1786897376}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892594, "scored_at": 1786897376, "alerts": [], "rank": 818}, {"candidate_id": "ODC-CB76A5", "res_at": 1787455609, "skeleton": "HSCNPLXDSAABOZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 61.203, "axes": {"activity": 18.59, "binding": 16.88, "selectivity": 12.42, "admet": 4.56, "novelty": 5.54, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.62}, "binding": {"pIC50": 7.53, "LE": 0.413, "potency_term": 0.844, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.6, "selectivity_term": 0.736, "target_engagement": 0.844}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.479, "ld50-zhu": 0.543, "herg": 0.58, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.715364543432352, "aff_pf": -1.5324044227600098, "aff_hs": -0.06053639700015386, "repeats_pf": {"runs": 3, "values": [-1.5159, -1.5119, -1.5694], "mean": -1.5324, "spread": 0.0575}, "repeats_hs": {"runs": 3, "values": [-0.0119, -0.107, -0.0627], "mean": -0.0605, "spread": 0.0952}, "at": 1787455609}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453385, "scored_at": 1787455609, "alerts": [], "rank": 819}, {"candidate_id": "ODC-CDD2E7", "res_at": 1787654797, "skeleton": "QIBYHOPJRBDQTA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCC(=··········F)CC1", "total": 61.203, "axes": {"activity": 28.45, "binding": 11.75, "selectivity": 3.47, "admet": 8.84, "novelty": 6.92, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 6.307, "fraction": 0.948}, "binding": {"pIC50": 6.76, "LE": 0.309, "potency_term": 0.587, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.587}, "admet": {"geometric_mean": 0.622, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.805, "cyp2c9-veith": 0.993, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.723, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 4.69}}, "run": {"gpu": "3", "pAct_q10": 6.306742774932107, "aff_pf": -0.7618042429288229, "aff_hs": -0.1711220219731331, "repeats_pf": {"runs": 3, "values": [-1.0956, -1.0513, -0.1385], "mean": -0.7618, "spread": 0.9571}, "repeats_hs": {"runs": 3, "values": [-0.1998, -0.083, -0.2305], "mean": -0.1711, "spread": 0.1475}, "at": 1787654797}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648123, "scored_at": 1787654797, "alerts": [], "rank": 820}, {"candidate_id": "ODC-1D2D8D", "res_at": 1786950361, "skeleton": "UMHOMNPGGKTKRO", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.17, "axes": {"activity": 17.18, "binding": 17.28, "selectivity": 10.25, "admet": 7.54, "novelty": 4.83, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.631, "fraction": 0.573}, "binding": {"pIC50": 7.59, "LE": 0.452, "potency_term": 0.864, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.4, "selectivity_term": 0.593, "target_engagement": 0.864}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.58, "cyp3a4-substrate-carbonmangels": 0.671, "ld50-zhu": 0.548, "herg": 0.57, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.630940705561147, "aff_pf": -1.5925785303115845, "aff_hs": -0.40610191226005554, "repeats_pf": {"runs": 3, "values": [-1.5672, -1.5963, -1.6143], "mean": -1.5926, "spread": 0.0471}, "repeats_hs": {"runs": 3, "values": [-0.4437, -0.4086, -0.366], "mean": -0.4061, "spread": 0.0777}, "at": 1786950361}, "tier": 1, "relegate_reason": [], "submitted_at": 1786939243, "scored_at": 1786950361, "alerts": [], "rank": 821}, {"candidate_id": "ODC-9ADD8C", "res_at": 1788158288, "skeleton": "QNGBKTDOCNJCKR", "hf_user": "Jaewonismyname", "display_name": "Antigravity_Opt", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 61.164, "axes": {"activity": 20.91, "binding": 17.53, "selectivity": 8.3, "admet": 6.53, "novelty": 3.97, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.854, "fraction": 0.697}, "binding": {"pIC50": 7.63, "LE": 0.436, "potency_term": 0.877, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.264, "herg": 0.487, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.854439310595087, "aff_pf": -1.6296875874201457, "aff_hs": -0.683147132396698, "repeats_pf": {"runs": 3, "values": [-1.7082, -1.5546, -1.6263], "mean": -1.6297, "spread": 0.1536}, "repeats_hs": {"runs": 3, "values": [-0.4807, -0.7497, -0.819], "mean": -0.6831, "spread": 0.3384}, "at": 1788158288}, "tier": 1, "alerts": [], "total_sd": 1.161, "total_ci95": [58.971, 63.617], "relegate_reason": [], "submitted_at": 1788152304, "scored_at": 1788158288, "rank": 822}, {"candidate_id": "ODC-C4A2CB", "res_at": 1788268598, "skeleton": "HDBWGFBAZUGEPL", "hf_user": "Ku-ku", "display_name": "KK-M-0831-675", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCN(C)c··········nc2n1", "total": 61.161, "axes": {"activity": 25.77, "binding": 12.13, "selectivity": 10.14, "admet": 4.59, "novelty": 5.91, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 6.146, "fraction": 0.859}, "binding": {"pIC50": 6.82, "LE": 0.322, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 47.0, "selectivity_term": 0.836, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.733, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.523, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "3", "pAct_q10": 6.146467021461056, "aff_pf": -0.8199544548988342, "aff_hs": 0.8519891500473022, "repeats_pf": {"runs": 3, "values": [-0.7792, -0.8474, -0.8333], "mean": -0.82, "spread": 0.0683}, "repeats_hs": {"runs": 3, "values": [0.8545, 0.8675, 0.8339], "mean": 0.852, "spread": 0.0336}, "at": 1788268598}, "tier": 1, "alerts": [], "total_sd": 0.305, "total_ci95": [60.638, 61.708], "relegate_reason": [], "submitted_at": 1788231463, "scored_at": 1788268598, "rank": 823}, {"candidate_id": "ODC-99E799", "res_at": 1786901409, "skeleton": "HKWKJTJZGLMSAO", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 61.138, "axes": {"activity": 16.08, "binding": 16.16, "selectivity": 15.29, "admet": 5.31, "novelty": 4.58, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 7.42, "LE": 0.462, "potency_term": 0.808, "efficiency_cap": 1.0}, "selectivity": {"fold": 78.0, "selectivity_term": 0.946, "target_engagement": 0.808}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.446, "ld50-zhu": 0.455, "herg": 0.192, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.564977548198772, "aff_pf": -1.4236520131429036, "aff_hs": 0.4686169922351837, "repeats_pf": {"runs": 3, "values": [-1.3814, -1.4173, -1.4723], "mean": -1.4237, "spread": 0.0909}, "repeats_hs": {"runs": 3, "values": [0.4889, 0.4946, 0.4224], "mean": 0.4686, "spread": 0.0723}, "at": 1786901409}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899331, "scored_at": 1786901409, "alerts": [], "rank": 824}, {"candidate_id": "ODC-C29CA4", "res_at": 1789384751, "skeleton": "QITMEBADYRTTJW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 61.137, "axes": {"activity": 13.16, "binding": 17.62, "selectivity": 16.28, "admet": 5.47, "novelty": 4.55, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.881, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.5, "selectivity_term": 0.924, "target_engagement": 0.881}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.912, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.059, "ld50-zhu": 0.605, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.38980188658693, "aff_pf": -1.6429781119028728, "aff_hs": 0.20495390395323435, "repeats_pf": {"runs": 3, "values": [-1.6129, -1.6626, -1.6534], "mean": -1.643, "spread": 0.0497}, "repeats_hs": {"runs": 3, "values": [0.1527, 0.2012, 0.2609], "mean": 0.205, "spread": 0.1083}, "at": 1789384751}, "tier": 1, "alerts": [], "total_sd": 0.398, "total_ci95": [60.328, 61.903], "relegate_reason": [], "submitted_at": 1789366114, "scored_at": 1789384751, "rank": 825}, {"candidate_id": "ODC-E58319", "res_at": 1787083179, "skeleton": "LJZZCUZKSNTKAB", "hf_user": "1Dmeds", "display_name": "ODC26-MB-29", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 61.134, "axes": {"activity": 20.43, "binding": 16.93, "selectivity": 9.13, "admet": 5.87, "novelty": 5.26, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.826, "fraction": 0.681}, "binding": {"pIC50": 7.54, "LE": 0.383, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.539, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.899, "ld50-zhu": 0.531, "herg": 0.198, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.825708564191789, "aff_pf": -1.5394890705744426, "aff_hs": -0.4613434672355652, "repeats_pf": {"runs": 3, "values": [-1.4822, -1.5486, -1.5876], "mean": -1.5395, "spread": 0.1054}, "repeats_hs": {"runs": 3, "values": [-0.5735, -0.5064, -0.3041], "mean": -0.4613, "spread": 0.2693}, "at": 1787083179}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069802, "scored_at": 1787083179, "alerts": [], "rank": 826}, {"candidate_id": "ODC-0531CE", "res_at": 1789591894, "skeleton": "DNXMIEWTZFDPFW", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.128, "axes": {"activity": 14.66, "binding": 20.0, "selectivity": 10.54, "admet": 6.58, "novelty": 5.17, "synthesis": 4.18}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.489}, "binding": {"pIC50": 8.05, "LE": 0.48, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.527, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.469, "ld50-zhu": 0.512, "herg": 0.604, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.479458932928513, "aff_pf": -2.0526443322499595, "aff_hs": -0.9991066853205363, "repeats_pf": {"runs": 3, "values": [-2.025, -2.0773, -2.0556], "mean": -2.0526, "spread": 0.0523}, "repeats_hs": {"runs": 3, "values": [-1.0332, -0.9607, -1.0034], "mean": -0.9991, "spread": 0.0725}, "at": 1789591894}, "tier": 1, "alerts": [], "total_sd": 0.212, "total_ci95": [60.752, 61.614], "relegate_reason": [], "submitted_at": 1789572458, "scored_at": 1789591894, "rank": 827}, {"candidate_id": "ODC-00978E", "res_at": 1787871563, "skeleton": "AZYNDAPGSNDXFL", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N5", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1CCc2··········F)c21", "total": 61.122, "axes": {"activity": 26.39, "binding": 17.01, "selectivity": 4.62, "admet": 4.34, "novelty": 5.78, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 6.183, "fraction": 0.88}, "binding": {"pIC50": 7.55, "LE": 0.398, "potency_term": 0.85, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.271, "target_engagement": 0.85}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.568, "ld50-zhu": 0.509, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "0", "pAct_q10": 6.18338933711375, "aff_pf": -1.5508404572804768, "aff_hs": -1.0079832474390666, "repeats_pf": {"runs": 3, "values": [-1.5407, -1.5348, -1.577], "mean": -1.5508, "spread": 0.0423}, "repeats_hs": {"runs": 3, "values": [-1.0295, -0.9769, -1.0175], "mean": -1.008, "spread": 0.0526}, "at": 1787838357}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784249, "scored_at": 1787838357, "alerts": [], "rank": 828}, {"candidate_id": "ODC-157A02", "res_at": 1787522049, "skeleton": "SJSGCQJXJJGNGG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 61.112, "axes": {"activity": 21.32, "binding": 14.74, "selectivity": 12.25, "admet": 5.09, "novelty": 4.8, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.879, "fraction": 0.711}, "binding": {"pIC50": 7.21, "LE": 0.395, "potency_term": 0.737, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.9, "selectivity_term": 0.831, "target_engagement": 0.737}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.455, "ld50-zhu": 0.453, "herg": 0.786, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.879027562808635, "aff_pf": -1.2105758984883626, "aff_hs": 0.4516921242078145, "repeats_pf": {"runs": 3, "values": [-1.2616, -1.1917, -1.1784], "mean": -1.2106, "spread": 0.0832}, "repeats_hs": {"runs": 3, "values": [0.3121, 0.5505, 0.4925], "mean": 0.4517, "spread": 0.2383}, "at": 1787522049}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520516, "scored_at": 1787522049, "alerts": [], "rank": 829}, {"candidate_id": "ODC-900AA5", "res_at": 1787910836, "skeleton": "FRXATOQDHAPRGX", "hf_user": "Bio-JS", "display_name": "A2 메타-F x 옥세탄/메틸/설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 61.104, "axes": {"activity": 19.22, "binding": 16.46, "selectivity": 12.44, "admet": 4.06, "novelty": 5.69, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.753, "fraction": 0.641}, "binding": {"pIC50": 7.57, "LE": 0.288, "potency_term": 0.857, "efficiency_cap": 0.96}, "selectivity": {"fold": 28.3, "selectivity_term": 0.726, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.162}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.75311789250439, "aff_pf": -1.5713393688201904, "aff_hs": -0.11974466840426128, "repeats_pf": {"runs": 3, "values": [-1.6206, -1.5355, -1.5579], "mean": -1.5713, "spread": 0.0851}, "repeats_hs": {"runs": 3, "values": [-0.3376, 0.0161, -0.0377], "mean": -0.1197, "spread": 0.3537}, "at": 1787910836}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897131, "scored_at": 1787910836, "alerts": [], "rank": 830}, {"candidate_id": "ODC-E9AB35", "res_at": 1786861986, "skeleton": "XMCTXIHTPQAGFY", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 61.098, "axes": {"activity": 14.26, "binding": 17.53, "selectivity": 14.24, "admet": 6.96, "novelty": 4.47, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 7.63, "LE": 0.475, "potency_term": 0.877, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.1, "selectivity_term": 0.812, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.821, "ld50-zhu": 0.458, "herg": 0.841, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.455813555446119, "aff_pf": -1.629639705022176, "aff_hs": -0.0054521262645721436, "repeats_pf": {"runs": 3, "values": [-1.5977, -1.6072, -1.684], "mean": -1.6296, "spread": 0.0864}, "repeats_hs": {"runs": 3, "values": [0.0322, -0.0172, -0.0313], "mean": -0.0055, "spread": 0.0635}, "at": 1786861986}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852358, "scored_at": 1786861986, "alerts": [], "rank": 831}, {"candidate_id": "ODC-0BD613", "res_at": 1786863112, "skeleton": "BQBYMLUNLRSWNW", "hf_user": "choa712", "display_name": "CODEX-R1-02", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)c1Br", "total": 61.092, "axes": {"activity": 14.57, "binding": 20.0, "selectivity": 11.36, "admet": 6.45, "novelty": 4.56, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 8.28, "LE": 0.493, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.508, "herg": 0.373, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.474233839168515, "aff_pf": -2.280447324117025, "aff_hs": -1.1446688969930012, "repeats_pf": {"runs": 3, "values": [-2.2907, -2.2928, -2.2578], "mean": -2.2804, "spread": 0.035}, "repeats_hs": {"runs": 3, "values": [-1.187, -1.1261, -1.1209], "mean": -1.1447, "spread": 0.0661}, "at": 1786863112}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854789, "scored_at": 1786863112, "alerts": [], "rank": 832}, {"candidate_id": "ODC-3B7AA2", "res_at": 1787523412, "skeleton": "BOFWKPCNDQGGRD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 61.073, "axes": {"activity": 21.35, "binding": 15.27, "selectivity": 11.62, "admet": 4.85, "novelty": 5.05, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.881, "fraction": 0.712}, "binding": {"pIC50": 7.29, "LE": 0.4, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.2, "selectivity_term": 0.761, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.355, "ld50-zhu": 0.435, "herg": 0.607, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.881023047702496, "aff_pf": -1.2910688718159993, "aff_hs": 0.23014106849829355, "repeats_pf": {"runs": 3, "values": [-1.3828, -1.2625, -1.2279], "mean": -1.2911, "spread": 0.1549}, "repeats_hs": {"runs": 3, "values": [0.3093, 0.128, 0.2531], "mean": 0.2301, "spread": 0.1813}, "at": 1787523412}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520615, "scored_at": 1787523412, "alerts": [], "rank": 833}, {"candidate_id": "ODC-EDC828", "res_at": 1788058793, "skeleton": "HXWVGVGSUXCQST", "hf_user": "Ku-ku", "display_name": "KK-M-0829-386", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Cl··········CCC2F", "total": 61.062, "axes": {"activity": 21.76, "binding": 18.05, "selectivity": 7.9, "admet": 4.04, "novelty": 6.77, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.906, "fraction": 0.725}, "binding": {"pIC50": 7.71, "LE": 0.391, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.892, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.555, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 4.03}}, "run": {"gpu": "0", "pAct_q10": 5.905720257827016, "aff_pf": -1.7080223957697551, "aff_hs": -0.8326130509376526, "repeats_pf": {"runs": 3, "values": [-1.7557, -1.6876, -1.6807], "mean": -1.708, "spread": 0.075}, "repeats_hs": {"runs": 3, "values": [-0.7677, -0.9393, -0.7909], "mean": -0.8326, "spread": 0.1717}, "at": 1788058793}, "tier": 1, "alerts": [], "total_sd": 0.636, "total_ci95": [59.963, 62.646], "relegate_reason": [], "submitted_at": 1788014194, "scored_at": 1788058793, "rank": 834}, {"candidate_id": "ODC-422D35", "res_at": 1786870973, "skeleton": "YMURMLKACIGMEP", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 60.992, "axes": {"activity": 12.19, "binding": 18.53, "selectivity": 16.03, "admet": 5.81, "novelty": 4.63, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.406}, "binding": {"pIC50": 7.78, "LE": 0.444, "potency_term": 0.927, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.7, "selectivity_term": 0.865, "target_engagement": 0.927}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.633, "ld50-zhu": 0.342, "herg": 0.494, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.331626794972078, "aff_pf": -1.7796223958333333, "aff_hs": -0.049337416887283325, "repeats_pf": {"runs": 3, "values": [-1.7477, -1.8479, -1.7433], "mean": -1.7796, "spread": 0.1047}, "repeats_hs": {"runs": 3, "values": [-0.0735, -0.0569, -0.0176], "mean": -0.0493, "spread": 0.0559}, "at": 1786870973}, "tier": 1, "relegate_reason": [], "submitted_at": 1786864194, "scored_at": 1786870973, "alerts": [], "rank": 835}, {"candidate_id": "ODC-8528FA", "res_at": 1788079944, "skeleton": "DWJTXXBMXKDWQC", "hf_user": "Ku-ku", "display_name": "KK-M-0830-220", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC1Cc2c··········)c2C1", "total": 60.981, "axes": {"activity": 19.84, "binding": 17.7, "selectivity": 10.13, "admet": 4.8, "novelty": 5.94, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.79, "fraction": 0.661}, "binding": {"pIC50": 7.66, "LE": 0.403, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.78, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.431, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "0", "pAct_q10": 5.790188890510373, "aff_pf": -1.655144214630127, "aff_hs": -0.5108541448911031, "repeats_pf": {"runs": 3, "values": [-1.6192, -1.6852, -1.6611], "mean": -1.6551, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [-0.5406, -0.4878, -0.5041], "mean": -0.5109, "spread": 0.0528}, "at": 1788079944}, "tier": 1, "alerts": [], "total_sd": 0.373, "total_ci95": [60.448, 61.725], "relegate_reason": [], "submitted_at": 1788038827, "scored_at": 1788079944, "rank": 836}, {"candidate_id": "ODC-9B0E6E", "res_at": 1787579165, "skeleton": "FHTONUYBHGLQMN", "hf_user": "Ku-ku", "display_name": "KK-M-0824-43", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 60.959, "axes": {"activity": 26.22, "binding": 12.91, "selectivity": 6.58, "admet": 5.85, "novelty": 5.91, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.173, "fraction": 0.874}, "binding": {"pIC50": 6.94, "LE": 0.365, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.545, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.494, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.173430736563341, "aff_pf": -0.9361931880315145, "aff_hs": 0.08258794496456782, "repeats_pf": {"runs": 3, "values": [-0.9242, -0.9151, -0.9693], "mean": -0.9362, "spread": 0.0542}, "repeats_hs": {"runs": 3, "values": [-0.029, -0.0714, 0.3481], "mean": 0.0826, "spread": 0.4194}, "at": 1787579165}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578570, "scored_at": 1787579165, "alerts": [], "rank": 837}, {"candidate_id": "ODC-E1053C", "res_at": 1789995666, "skeleton": "SCADDPJMNPMWHO", "hf_user": "Bio-JS", "display_name": "0921-S1-12", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 60.953, "axes": {"activity": 21.46, "binding": 15.75, "selectivity": 9.87, "admet": 5.96, "novelty": 4.56, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.888, "fraction": 0.715}, "binding": {"pIC50": 7.36, "LE": 0.42, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.9, "selectivity_term": 0.627, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.698, "cyp3a4-substrate-carbonmangels": 0.686, "ld50-zhu": 0.306, "herg": 0.448, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.887648500593375, "aff_pf": -1.3618390560150146, "aff_hs": -0.10809369881947835, "repeats_pf": {"runs": 3, "values": [-1.3704, -1.3729, -1.3422], "mean": -1.3618, "spread": 0.0307}, "repeats_hs": {"runs": 3, "values": [-0.1368, -0.1345, -0.053], "mean": -0.1081, "spread": 0.0838}, "at": 1789995666}, "tier": 1, "alerts": [], "total_sd": 0.239, "total_ci95": [60.476, 61.419], "relegate_reason": [], "submitted_at": 1789990084, "scored_at": 1789995666, "rank": 838}, {"candidate_id": "ODC-BFD096", "res_at": 1787045605, "skeleton": "XWZZPPKBBDGZMJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.946, "axes": {"activity": 22.09, "binding": 17.15, "selectivity": 8.01, "admet": 5.71, "novelty": 4.21, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.926, "fraction": 0.736}, "binding": {"pIC50": 7.57, "LE": 0.415, "potency_term": 0.857, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.34, "cyp3a4-substrate-carbonmangels": 0.503, "ld50-zhu": 0.33, "herg": 0.319, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.925663787263062, "aff_pf": -1.5720183849334717, "aff_hs": -0.6374682585398356, "repeats_pf": {"runs": 3, "values": [-1.5134, -1.5805, -1.6221], "mean": -1.572, "spread": 0.1088}, "repeats_hs": {"runs": 3, "values": [-0.7361, -0.7267, -0.4496], "mean": -0.6375, "spread": 0.2864}, "at": 1787045605}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039442, "scored_at": 1787045605, "alerts": [], "rank": 839}, {"candidate_id": "ODC-C2CBEC", "res_at": 1786842441, "skeleton": "LUUPLSUZEBTXTD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.93, "axes": {"activity": 13.22, "binding": 17.85, "selectivity": 17.39, "admet": 5.89, "novelty": 2.42, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 5.393, "fraction": 0.441}, "binding": {"pIC50": 7.68, "LE": 0.501, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 88.9, "selectivity_term": 0.974, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.331, "herg": 0.321, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "1", "pAct_q10": 5.393241487939132, "aff_pf": -1.6772077083587646, "aff_hs": 0.2716192404429118, "repeats_pf": {"runs": 3, "values": [-1.6683, -1.694, -1.6693], "mean": -1.6772, "spread": 0.0256}, "repeats_hs": {"runs": 3, "values": [0.1297, 0.3298, 0.3553], "mean": 0.2716, "spread": 0.2256}, "at": 1786842441}, "tier": 1, "relegate_reason": [], "submitted_at": 1786810930, "scored_at": 1786842441, "alerts": [], "rank": 840}, {"candidate_id": "ODC-EB89E2", "res_at": 1789426518, "skeleton": "NQUCXSZOQNCTIO", "hf_user": "Ku-ku", "display_name": "KK-M-0915-537", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 60.918, "axes": {"activity": 25.0, "binding": 17.2, "selectivity": 5.3, "admet": 4.69, "novelty": 4.85, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.1, "fraction": 0.833}, "binding": {"pIC50": 7.58, "LE": 0.415, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.308, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.383, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 6.099765402807731, "aff_pf": -1.5799686908721924, "aff_hs": -0.9632251262664795, "repeats_pf": {"runs": 3, "values": [-1.5563, -1.5607, -1.6229], "mean": -1.58, "spread": 0.0666}, "repeats_hs": {"runs": 3, "values": [-0.9642, -0.9502, -0.9753], "mean": -0.9632, "spread": 0.0251}, "at": 1789426518}, "tier": 1, "alerts": [], "total_sd": 0.384, "total_ci95": [60.348, 61.533], "relegate_reason": [], "submitted_at": 1789425052, "scored_at": 1789426518, "rank": 841}, {"candidate_id": "ODC-C3A918", "res_at": 1787125779, "skeleton": "KILMTICXKMNVQY", "hf_user": "takutoyo", "display_name": "PfD7-B1", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1nc··········2)c1F", "total": 60.917, "axes": {"activity": 16.15, "binding": 16.48, "selectivity": 14.12, "admet": 5.15, "novelty": 5.97, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.569, "fraction": 0.538}, "binding": {"pIC50": 7.47, "LE": 0.409, "potency_term": 0.824, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.7, "selectivity_term": 0.857, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.267, "ld50-zhu": 0.49, "herg": 0.784, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.568875927220042, "aff_pf": -1.4722636143366497, "aff_hs": 0.24139818797508875, "repeats_pf": {"runs": 3, "values": [-1.4937, -1.4861, -1.437], "mean": -1.4723, "spread": 0.0568}, "repeats_hs": {"runs": 3, "values": [0.4413, 0.0978, 0.1851], "mean": 0.2414, "spread": 0.3435}, "at": 1787125779}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108213, "scored_at": 1787125779, "alerts": [], "rank": 842}, {"candidate_id": "ODC-BC57F0", "res_at": 1788156423, "skeleton": "MWMRERCAJPAKMX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 60.884, "axes": {"activity": 13.72, "binding": 20.0, "selectivity": 11.9, "admet": 6.49, "novelty": 4.67, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.423, "fraction": 0.457}, "binding": {"pIC50": 8.02, "LE": 0.44, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.366, "herg": 0.357, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.423340168458076, "aff_pf": -2.0231269200642905, "aff_hs": -0.8332442045211792, "repeats_pf": {"runs": 3, "values": [-2.0192, -2.0426, -2.0076], "mean": -2.0231, "spread": 0.035}, "repeats_hs": {"runs": 3, "values": [-0.7707, -0.88, -0.8491], "mean": -0.8332, "spread": 0.1094}, "at": 1788156423}, "tier": 1, "alerts": [], "total_sd": 0.252, "total_ci95": [60.402, 61.431], "relegate_reason": [], "submitted_at": 1788145067, "scored_at": 1788156423, "rank": 843}, {"candidate_id": "ODC-4A0404", "res_at": 1789887248, "skeleton": "MGJPCPFQXVVPQK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Br", "total": 60.874, "axes": {"activity": 20.2, "binding": 19.53, "selectivity": 6.47, "admet": 4.97, "novelty": 5.86, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.812, "fraction": 0.673}, "binding": {"pIC50": 7.93, "LE": 0.418, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.496, "herg": 0.225, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.811741638675429, "aff_pf": -1.928843895594279, "aff_hs": -1.2665858666102092, "repeats_pf": {"runs": 3, "values": [-1.9016, -1.9671, -1.9179], "mean": -1.9288, "spread": 0.0655}, "repeats_hs": {"runs": 3, "values": [-1.2508, -1.1167, -1.4323], "mean": -1.2666, "spread": 0.3157}, "at": 1789887248}, "tier": 1, "alerts": [], "total_sd": 0.827, "total_ci95": [59.215, 62.427], "relegate_reason": [], "submitted_at": 1789657722, "scored_at": 1789887248, "rank": 844}, {"candidate_id": "ODC-4CEFFE", "res_at": 1787140475, "skeleton": "IFSROLVJDMXOLS", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 60.87, "axes": {"activity": 15.32, "binding": 18.62, "selectivity": 12.68, "admet": 5.3, "novelty": 5.24, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.519, "fraction": 0.511}, "binding": {"pIC50": 7.79, "LE": 0.427, "potency_term": 0.931, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.931}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.082, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.574, "herg": 0.447, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.519478310690418, "aff_pf": -1.7924063205718994, "aff_hs": -0.4303597112496694, "repeats_pf": {"runs": 3, "values": [-1.765, -1.7813, -1.8308], "mean": -1.7924, "spread": 0.0658}, "repeats_hs": {"runs": 3, "values": [-0.7127, -0.2286, -0.3498], "mean": -0.4304, "spread": 0.484}, "at": 1787140475}, "tier": 1, "relegate_reason": [], "submitted_at": 1787140084, "scored_at": 1787140475, "alerts": [], "rank": 845}, {"candidate_id": "ODC-FA8796", "res_at": 1787965555, "skeleton": "FDRLDJORTCTGCR", "hf_user": "Ku-ku", "display_name": "KK-M-0829-550", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 60.84, "axes": {"activity": 26.96, "binding": 13.15, "selectivity": 6.72, "admet": 4.1, "novelty": 6.12, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.218, "fraction": 0.899}, "binding": {"pIC50": 6.97, "LE": 0.341, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.306, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 6.217759720685335, "aff_pf": -0.9720555941263834, "aff_hs": 0.0508646567662557, "repeats_pf": {"runs": 3, "values": [-0.9379, -1.048, -0.9303], "mean": -0.9721, "spread": 0.1177}, "repeats_hs": {"runs": 3, "values": [-0.0268, -0.052, 0.2313], "mean": 0.0509, "spread": 0.2833}, "at": 1787965555}, "tier": 1, "relegate_reason": [], "submitted_at": 1787964456, "scored_at": 1787965555, "alerts": [], "rank": 846}, {"candidate_id": "ODC-AAF29A", "res_at": 1789374757, "skeleton": "LDIYHUWCAVPZAJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.825, "axes": {"activity": 14.4, "binding": 17.12, "selectivity": 15.31, "admet": 5.7, "novelty": 4.62, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 7.57, "LE": 0.399, "potency_term": 0.856, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.6, "selectivity_term": 0.895, "target_engagement": 0.856}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.976, "cyp2c9-veith": 0.612, "cyp3a4-substrate-carbonmangels": 0.126, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.463778130324612, "aff_pf": -1.5672826369603474, "aff_hs": 0.22224865357081094, "repeats_pf": {"runs": 3, "values": [-1.4992, -1.5209, -1.6818], "mean": -1.5673, "spread": 0.1827}, "repeats_hs": {"runs": 3, "values": [0.1224, 0.2837, 0.2607], "mean": 0.2222, "spread": 0.1613}, "at": 1789374757}, "tier": 1, "alerts": [], "total_sd": 1.347, "total_ci95": [58.831, 63.989], "relegate_reason": [], "submitted_at": 1789365173, "scored_at": 1789374757, "rank": 847}, {"candidate_id": "ODC-02F24A", "res_at": 1787629131, "skeleton": "QCFLZFCYCPXQFU", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 60.821, "axes": {"activity": 30.0, "binding": 11.31, "selectivity": 1.92, "admet": 8.43, "novelty": 7.61, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 6.404, "fraction": 1.0}, "binding": {"pIC50": 6.7, "LE": 0.306, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.17, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.091, "ld50-zhu": 0.703, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 4.91}}, "run": {"gpu": "3", "pAct_q10": 6.403677170770375, "aff_pf": -0.696910579999288, "aff_hs": -0.3573111693064372, "repeats_pf": {"runs": 3, "values": [-0.7684, -0.741, -0.5814], "mean": -0.6969, "spread": 0.187}, "repeats_hs": {"runs": 3, "values": [-0.3905, -0.317, -0.3645], "mean": -0.3573, "spread": 0.0735}, "at": 1787629131}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621944, "scored_at": 1787629131, "alerts": [], "rank": 848}, {"candidate_id": "ODC-D083BB", "res_at": 1787631659, "skeleton": "VYNQTWGFCNWGKR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.82, "axes": {"activity": 19.37, "binding": 17.84, "selectivity": 10.2, "admet": 5.41, "novelty": 4.22, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.762, "fraction": 0.646}, "binding": {"pIC50": 7.68, "LE": 0.438, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.061, "ld50-zhu": 0.495, "herg": 0.898, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.762040885350811, "aff_pf": -1.6754547357559204, "aff_hs": -0.531808078289032, "repeats_pf": {"runs": 3, "values": [-1.7049, -1.683, -1.6384], "mean": -1.6755, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [-0.5421, -0.5616, -0.4918], "mean": -0.5318, "spread": 0.0699}, "at": 1787631659}, "tier": 1, "relegate_reason": [], "submitted_at": 1787624323, "scored_at": 1787631659, "alerts": [], "rank": 849}, {"candidate_id": "ODC-1D0899", "res_at": 1786862924, "skeleton": "DJSQNXKEMUDRBY", "hf_user": "choa712", "display_name": "CODEX-R1-01", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.816, "axes": {"activity": 14.17, "binding": 17.73, "selectivity": 15.78, "admet": 5.52, "novelty": 3.58, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 7.66, "LE": 0.477, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.2, "selectivity_term": 0.89, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.052, "ld50-zhu": 0.471, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.450014803321291, "aff_pf": -1.6601804892222087, "aff_hs": 0.11965904881556828, "repeats_pf": {"runs": 3, "values": [-1.6245, -1.658, -1.698], "mean": -1.6602, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.0707, 0.079, 0.2093], "mean": 0.1197, "spread": 0.1386}, "at": 1786862924}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854788, "scored_at": 1786862924, "alerts": [], "rank": 850}, {"candidate_id": "ODC-63354D", "res_at": 1786869325, "skeleton": "DEARNJGAULOEDH", "hf_user": "1Dmeds", "display_name": "ODC26-R3-C6F", "model_name": "ODC-2026-R3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.811, "axes": {"activity": 11.92, "binding": 17.83, "selectivity": 15.66, "admet": 6.22, "novelty": 5.14, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 7.67, "LE": 0.478, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.0, "selectivity_term": 0.878, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.504, "ld50-zhu": 0.326, "herg": 0.488, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.315297194644561, "aff_pf": -1.6748220523198445, "aff_hs": 0.08104803164800008, "repeats_pf": {"runs": 3, "values": [-1.6651, -1.6861, -1.6732], "mean": -1.6748, "spread": 0.021}, "repeats_hs": {"runs": 3, "values": [0.1207, 0.024, 0.0985], "mean": 0.081, "spread": 0.0967}, "at": 1786869325}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863740, "scored_at": 1786869325, "alerts": [], "rank": 851}, {"candidate_id": "ODC-FD712E", "res_at": 1786972246, "skeleton": "TWMVFAVNZZCAOO", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········)CCC1", "total": 60.804, "axes": {"activity": 15.42, "binding": 17.36, "selectivity": 15.27, "admet": 4.0, "novelty": 5.23, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.525, "fraction": 0.514}, "binding": {"pIC50": 7.6, "LE": 0.316, "potency_term": 0.868, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.5, "selectivity_term": 0.88, "target_engagement": 0.868}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.054, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "2", "pAct_q10": 5.525217134785928, "aff_pf": -1.6034423112869263, "aff_hs": 0.15630783637364706, "repeats_pf": {"runs": 3, "values": [-1.6102, -1.572, -1.6281], "mean": -1.6034, "spread": 0.056}, "repeats_hs": {"runs": 3, "values": [0.1342, 0.203, 0.1317], "mean": 0.1563, "spread": 0.0713}, "at": 1786972246}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971888, "scored_at": 1786972246, "alerts": [], "rank": 852}, {"candidate_id": "ODC-13BDF8", "res_at": 1789318435, "skeleton": "BDTXPXSZPQPHAH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 60.799, "axes": {"activity": 23.11, "binding": 15.81, "selectivity": 9.07, "admet": 4.37, "novelty": 5.11, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.987, "fraction": 0.77}, "binding": {"pIC50": 7.37, "LE": 0.388, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.0, "selectivity_term": 0.573, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.102, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.72, "ld50-zhu": 0.635, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.986501101812816, "aff_pf": -1.3719793160756428, "aff_hs": -0.22507931167880693, "repeats_pf": {"runs": 3, "values": [-1.38, -1.3531, -1.3828], "mean": -1.372, "spread": 0.0297}, "repeats_hs": {"runs": 3, "values": [-0.1009, -0.011, -0.5633], "mean": -0.2251, "spread": 0.5523}, "at": 1789318435}, "tier": 1, "alerts": [], "total_sd": 1.085, "total_ci95": [58.907, 62.711], "relegate_reason": [], "submitted_at": 1789316987, "scored_at": 1789318435, "rank": 853}, {"candidate_id": "ODC-A5D552", "res_at": 1788056847, "skeleton": "YHVMYFBOVMCSRK", "hf_user": "Ku-ku", "display_name": "KK-M-0829-406", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Cl··········)CCC2", "total": 60.79, "axes": {"activity": 22.48, "binding": 17.99, "selectivity": 5.48, "admet": 4.86, "novelty": 6.54, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.949, "fraction": 0.749}, "binding": {"pIC50": 7.7, "LE": 0.406, "potency_term": 0.9, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.305, "target_engagement": 0.9}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.889, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.588, "herg": 0.062, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.948763274157508, "aff_pf": -1.6990111668904622, "aff_hs": -1.0894433657328289, "repeats_pf": {"runs": 3, "values": [-1.6257, -1.9082, -1.5631], "mean": -1.699, "spread": 0.3452}, "repeats_hs": {"runs": 3, "values": [-1.1144, -1.1192, -1.0347], "mean": -1.0894, "spread": 0.0845}, "at": 1788056847}, "tier": 1, "alerts": [], "total_sd": 1.973, "total_ci95": [57.7, 65.514], "relegate_reason": [], "submitted_at": 1788014178, "scored_at": 1788056847, "rank": 854}, {"candidate_id": "ODC-5250FF", "res_at": 1786865656, "skeleton": "BZHVIAMOBGIVLL", "hf_user": "choa712", "display_name": "LUCY-R3-01", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.789, "axes": {"activity": 14.5, "binding": 17.12, "selectivity": 16.42, "admet": 5.74, "novelty": 3.13, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.47, "fraction": 0.483}, "binding": {"pIC50": 7.57, "LE": 0.471, "potency_term": 0.856, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.9, "selectivity_term": 0.959, "target_engagement": 0.856}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.268, "ld50-zhu": 0.49, "herg": 0.271, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.470278043091154, "aff_pf": -1.5672673384348552, "aff_hs": 0.35153032342592877, "repeats_pf": {"runs": 3, "values": [-1.5774, -1.5766, -1.5478], "mean": -1.5673, "spread": 0.0296}, "repeats_hs": {"runs": 3, "values": [0.3866, 0.2893, 0.3787], "mean": 0.3515, "spread": 0.0972}, "at": 1786865656}, "tier": 1, "relegate_reason": [], "submitted_at": 1786858559, "scored_at": 1786865656, "alerts": [], "rank": 855}, {"candidate_id": "ODC-2EA4E2", "res_at": 1787081654, "skeleton": "DYKWDBBHDDGOPK", "hf_user": "1Dmeds", "display_name": "ODC26-MB-04", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.767, "axes": {"activity": 23.1, "binding": 16.06, "selectivity": 8.68, "admet": 5.45, "novelty": 4.01, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.986, "fraction": 0.77}, "binding": {"pIC50": 7.41, "LE": 0.423, "potency_term": 0.803, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.803}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.152, "cyp3a4-substrate-carbonmangels": 0.48, "ld50-zhu": 0.417, "herg": 0.365, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.98615518146071, "aff_pf": -1.4085106054941814, "aff_hs": -0.32693929970264435, "repeats_pf": {"runs": 3, "values": [-1.3558, -1.4225, -1.4472], "mean": -1.4085, "spread": 0.0914}, "repeats_hs": {"runs": 3, "values": [-0.1409, -0.1619, -0.6781], "mean": -0.3269, "spread": 0.5372}, "at": 1787081654}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069596, "scored_at": 1787081654, "alerts": [], "rank": 856}, {"candidate_id": "ODC-5DF34A", "res_at": 1787046847, "skeleton": "UGDPSALLASVPEZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 60.758, "axes": {"activity": 21.08, "binding": 17.02, "selectivity": 9.62, "admet": 4.49, "novelty": 4.98, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 7.55, "LE": 0.398, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.5, "selectivity_term": 0.565, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.064, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.993, "ld50-zhu": 0.551, "herg": 0.137, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.864894068178504, "aff_pf": -1.5534698963165283, "aff_hs": -0.4233228862285614, "repeats_pf": {"runs": 3, "values": [-1.5929, -1.4995, -1.568], "mean": -1.5535, "spread": 0.0934}, "repeats_hs": {"runs": 3, "values": [-0.5952, -0.1563, -0.5184], "mean": -0.4233, "spread": 0.4389}, "at": 1787046847}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039550, "scored_at": 1787046847, "alerts": [], "rank": 857}, {"candidate_id": "ODC-D9DE30", "res_at": 1787515172, "skeleton": "CXLUCEUGXNDDSY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SEL02]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.758, "axes": {"activity": 19.58, "binding": 17.29, "selectivity": 10.23, "admet": 5.98, "novelty": 4.09, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.775, "fraction": 0.653}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.2, "selectivity_term": 0.592, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.581, "ld50-zhu": 0.563, "herg": 0.352, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.774639148469452, "aff_pf": -1.5942046642303467, "aff_hs": -0.41104380289713544, "repeats_pf": {"runs": 3, "values": [-1.622, -1.5671, -1.5935], "mean": -1.5942, "spread": 0.0549}, "repeats_hs": {"runs": 3, "values": [-0.3918, -0.3492, -0.4922], "mean": -0.411, "spread": 0.143}, "at": 1787515172}, "tier": 1, "relegate_reason": [], "submitted_at": 1787514687, "scored_at": 1787515172, "alerts": [], "rank": 858}, {"candidate_id": "ODC-11E068", "res_at": 1787154624, "skeleton": "JUZHTRCDOHLNDI", "hf_user": "Ku-ku", "display_name": "M25_5Cl_SMe_Br3Me", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.725, "axes": {"activity": 14.74, "binding": 17.8, "selectivity": 15.14, "admet": 5.27, "novelty": 3.59, "synthesis": 4.18}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.491}, "binding": {"pIC50": 7.67, "LE": 0.5, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.3, "selectivity_term": 0.851, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.162, "ld50-zhu": 0.4, "herg": 0.434, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.48466395062531, "aff_pf": -1.6697662671407063, "aff_hs": 0.03149948020776113, "repeats_pf": {"runs": 3, "values": [-1.78, -1.6182, -1.611], "mean": -1.6698, "spread": 0.169}, "repeats_hs": {"runs": 3, "values": [-0.0473, 0.1519, -0.01], "mean": 0.0315, "spread": 0.1992}, "at": 1787154624}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148053, "scored_at": 1787154624, "alerts": [], "rank": 859}, {"candidate_id": "ODC-8905CB", "res_at": 1786972061, "skeleton": "BRULUXGXIUDGNY", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 60.714, "axes": {"activity": 14.86, "binding": 19.33, "selectivity": 12.44, "admet": 4.43, "novelty": 5.67, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.495}, "binding": {"pIC50": 7.9, "LE": 0.338, "potency_term": 0.967, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.4, "selectivity_term": 0.643, "target_engagement": 0.967}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.753, "herg": 0.436, "dili": 0.171}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 5.491570973184282, "aff_pf": -1.8998173077901204, "aff_hs": -0.6128546992937723, "repeats_pf": {"runs": 3, "values": [-1.9531, -1.905, -1.8413], "mean": -1.8998, "spread": 0.1118}, "repeats_hs": {"runs": 3, "values": [-0.6978, -0.5762, -0.5646], "mean": -0.6129, "spread": 0.1332}, "at": 1786972061}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971787, "scored_at": 1786972061, "alerts": [], "rank": 860}, {"candidate_id": "ODC-3A1D4E", "res_at": 1788476137, "skeleton": "VOMLHDKKTIJXAW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R160-08", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········l)CC1", "total": 60.708, "axes": {"activity": 17.34, "binding": 16.76, "selectivity": 13.2, "admet": 4.96, "novelty": 5.03, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.64, "fraction": 0.578}, "binding": {"pIC50": 7.51, "LE": 0.303, "potency_term": 0.838, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.6, "selectivity_term": 0.787, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.419, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.267, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.6401097584303255, "aff_pf": -1.5146685043970745, "aff_hs": 0.06031110882759094, "repeats_pf": {"runs": 3, "values": [-1.5184, -1.5056, -1.52], "mean": -1.5147, "spread": 0.0143}, "repeats_hs": {"runs": 3, "values": [0.0706, 0.0079, 0.1025], "mean": 0.0603, "spread": 0.0946}, "at": 1788476137}, "tier": 1, "alerts": [], "total_sd": 0.204, "total_ci95": [60.335, 61.096], "relegate_reason": [], "submitted_at": 1788414294, "scored_at": 1788476137, "rank": 861}, {"candidate_id": "ODC-6A519B", "res_at": 1787717941, "skeleton": "DQURWQMDKSUFJJ", "hf_user": "Ku-ku", "display_name": "KK-M-0826-T3", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········)c2C1", "total": 60.671, "axes": {"activity": 28.97, "binding": 17.1, "selectivity": 0.0, "admet": 4.52, "novelty": 6.3, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.338, "fraction": 0.966}, "binding": {"pIC50": 7.57, "LE": 0.384, "potency_term": 0.855, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.821, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.337942177927494, "aff_pf": -1.5650678078333538, "aff_hs": -1.5653168360392253, "repeats_pf": {"runs": 3, "values": [-1.6497, -1.4416, -1.6039], "mean": -1.5651, "spread": 0.2081}, "repeats_hs": {"runs": 3, "values": [-1.736, -1.7082, -1.2517], "mean": -1.5653, "spread": 0.4843}, "at": 1787717941}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717243, "scored_at": 1787717941, "alerts": [], "rank": 862}, {"candidate_id": "ODC-10347F", "res_at": 1788004676, "skeleton": "SIIJLOFPEQJMFK", "hf_user": "Ku-ku", "display_name": "KK-M-0829-842", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCS2", "total": 60.654, "axes": {"activity": 21.0, "binding": 14.74, "selectivity": 13.23, "admet": 3.6, "novelty": 5.42, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.86, "fraction": 0.7}, "binding": {"pIC50": 7.21, "LE": 0.38, "potency_term": 0.737, "efficiency_cap": 1.0}, "selectivity": {"fold": 62.4, "selectivity_term": 0.897, "target_engagement": 0.737}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.682, "ld50-zhu": 0.463, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "0", "pAct_q10": 5.860280430690142, "aff_pf": -1.2104806502660115, "aff_hs": 0.5844346880912781, "repeats_pf": {"runs": 3, "values": [-1.1378, -1.2164, -1.2773], "mean": -1.2105, "spread": 0.1395}, "repeats_hs": {"runs": 3, "values": [0.6619, 0.6018, 0.4896], "mean": 0.5844, "spread": 0.1722}, "at": 1788004676}, "tier": 1, "alerts": [], "total_sd": 0.9, "total_ci95": [59.071, 62.36], "relegate_reason": [], "submitted_at": 1787989513, "scored_at": 1788004676, "rank": 863}, {"candidate_id": "ODC-4C2942", "res_at": 1789886135, "skeleton": "UOJRQZWJPGWKLX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 60.634, "axes": {"activity": 25.38, "binding": 13.84, "selectivity": 7.16, "admet": 5.37, "novelty": 5.56, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 6.123, "fraction": 0.846}, "binding": {"pIC50": 7.08, "LE": 0.346, "potency_term": 0.692, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.576, "ld50-zhu": 0.637, "herg": 0.2, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "2", "pAct_q10": 6.1229992989195186, "aff_pf": -1.075579086939494, "aff_hs": -0.0412198801835378, "repeats_pf": {"runs": 3, "values": [-1.0448, -1.0706, -1.1114], "mean": -1.0756, "spread": 0.0666}, "repeats_hs": {"runs": 3, "values": [-0.0237, -0.0241, -0.0758], "mean": -0.0412, "spread": 0.0521}, "at": 1789886135}, "tier": 1, "alerts": [], "total_sd": 0.266, "total_ci95": [60.139, 61.248], "relegate_reason": [], "submitted_at": 1789657837, "scored_at": 1789886135, "rank": 864}, {"candidate_id": "ODC-495CFB", "res_at": 1787738491, "skeleton": "LKFDKTHXVSLMDB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Cl", "total": 60.629, "axes": {"activity": 19.06, "binding": 17.75, "selectivity": 10.24, "admet": 5.7, "novelty": 3.85, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.635}, "binding": {"pIC50": 7.66, "LE": 0.456, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.3, "selectivity_term": 0.577, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.355, "ld50-zhu": 0.3, "herg": 0.876, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.743548395766388, "aff_pf": -1.6625789403915405, "aff_hs": -0.5087089141209921, "repeats_pf": {"runs": 3, "values": [-1.6825, -1.6524, -1.6529], "mean": -1.6626, "spread": 0.0301}, "repeats_hs": {"runs": 3, "values": [-0.2584, -0.6437, -0.6241], "mean": -0.5087, "spread": 0.3853}, "at": 1787738491}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736121, "scored_at": 1787738491, "alerts": [], "rank": 865}, {"candidate_id": "ODC-FE3A3B", "res_at": 1790025339, "skeleton": "YFEZQVQBGPBPBM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(c··········C1CC1", "total": 60.608, "axes": {"activity": 24.79, "binding": 16.67, "selectivity": 7.34, "admet": 3.86, "novelty": 5.28, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 6.087, "fraction": 0.826}, "binding": {"pIC50": 7.5, "LE": 0.367, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.611, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.215}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "2", "pAct_q10": 6.087389279520194, "aff_pf": -1.501188039779663, "aff_hs": -0.6204541325569153, "repeats_pf": {"runs": 3, "values": [-1.5146, -1.4738, -1.5152], "mean": -1.5012, "spread": 0.0414}, "repeats_hs": {"runs": 3, "values": [-0.3, -0.75, -0.8113], "mean": -0.6205, "spread": 0.5113}, "at": 1790025339}, "tier": 1, "alerts": [], "total_sd": 1.098, "total_ci95": [58.884, 63.28], "relegate_reason": [], "submitted_at": 1790008997, "scored_at": 1790025339, "rank": 866}, {"candidate_id": "ODC-CFA66B", "res_at": 1786908408, "skeleton": "ILFVLSHIZSOFCR", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Cl", "total": 60.595, "axes": {"activity": 20.46, "binding": 15.9, "selectivity": 10.36, "admet": 5.73, "novelty": 4.58, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.828, "fraction": 0.682}, "binding": {"pIC50": 7.38, "LE": 0.44, "potency_term": 0.795, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.686, "ld50-zhu": 0.313, "herg": 0.916, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.827601245366401, "aff_pf": -1.3849258820215862, "aff_hs": -0.08194449543952942, "repeats_pf": {"runs": 3, "values": [-1.442, -1.253, -1.4598], "mean": -1.3849, "spread": 0.2068}, "repeats_hs": {"runs": 3, "values": [-0.2179, 0.1403, -0.1683], "mean": -0.0819, "spread": 0.3582}, "at": 1786908408}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899337, "scored_at": 1786908408, "alerts": [], "rank": 867}, {"candidate_id": "ODC-38187B", "res_at": 1787456748, "skeleton": "GDVBNEHJWPQRQA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.581, "axes": {"activity": 19.59, "binding": 16.84, "selectivity": 11.49, "admet": 4.92, "novelty": 4.21, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.775, "fraction": 0.653}, "binding": {"pIC50": 7.53, "LE": 0.43, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.2, "selectivity_term": 0.683, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.077, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.794, "ld50-zhu": 0.46, "herg": 0.54, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.775304060434414, "aff_pf": -1.5255167881647747, "aff_hs": -0.1605114390452703, "repeats_pf": {"runs": 3, "values": [-1.5073, -1.5257, -1.5436], "mean": -1.5255, "spread": 0.0363}, "repeats_hs": {"runs": 3, "values": [-0.1586, -0.1934, -0.1295], "mean": -0.1605, "spread": 0.0639}, "at": 1787456748}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453419, "scored_at": 1787456748, "alerts": [], "rank": 868}, {"candidate_id": "ODC-4A3519", "res_at": 1787632072, "skeleton": "NJGYFNAFWWZNGE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 60.572, "axes": {"activity": 21.84, "binding": 17.56, "selectivity": 6.46, "admet": 6.12, "novelty": 4.88, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.911, "fraction": 0.728}, "binding": {"pIC50": 7.63, "LE": 0.402, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.368, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.644, "herg": 0.295, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.910636491518954, "aff_pf": -1.6336565017700195, "aff_hs": -0.897282600402832, "repeats_pf": {"runs": 3, "values": [-1.6251, -1.6821, -1.5938], "mean": -1.6337, "spread": 0.0884}, "repeats_hs": {"runs": 3, "values": [-0.9169, -0.8944, -0.8806], "mean": -0.8973, "spread": 0.0363}, "at": 1787632072}, "tier": 1, "relegate_reason": [], "submitted_at": 1787624346, "scored_at": 1787632072, "alerts": [], "rank": 869}, {"candidate_id": "ODC-6B5743", "res_at": 1786894073, "skeleton": "DBFGNESCELAYNE", "hf_user": "choa712", "display_name": "LUCY-L7-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 60.549, "axes": {"activity": 21.7, "binding": 16.31, "selectivity": 8.81, "admet": 5.43, "novelty": 4.81, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.902, "fraction": 0.723}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.403, "herg": 0.817, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.9020665561935415, "aff_pf": -1.44713298479716, "aff_hs": -0.3671582837899526, "repeats_pf": {"runs": 3, "values": [-1.584, -1.2329, -1.5245], "mean": -1.4471, "spread": 0.3512}, "repeats_hs": {"runs": 3, "values": [-0.0259, -0.5674, -0.5082], "mean": -0.3672, "spread": 0.5415}, "at": 1786894073}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887355, "scored_at": 1786894073, "alerts": [], "rank": 870}, {"candidate_id": "ODC-5433FF", "res_at": 1787045851, "skeleton": "MMGHSPOPQNYVAP", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 60.545, "axes": {"activity": 23.79, "binding": 15.06, "selectivity": 8.83, "admet": 4.57, "novelty": 5.25, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 6.028, "fraction": 0.793}, "binding": {"pIC50": 7.26, "LE": 0.368, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.586, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.095, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.454, "ld50-zhu": 0.624, "herg": 0.226, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.027580638085965, "aff_pf": -1.2583658297856648, "aff_hs": -0.08573791881402333, "repeats_pf": {"runs": 3, "values": [-1.3735, -1.4033, -0.9983], "mean": -1.2584, "spread": 0.405}, "repeats_hs": {"runs": 3, "values": [-0.1348, 0.0051, -0.1275], "mean": -0.0857, "spread": 0.1399}, "at": 1787045851}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039448, "scored_at": 1787045851, "alerts": [], "rank": 871}, {"candidate_id": "ODC-EE5FA3", "res_at": 1787885876, "skeleton": "ASFDFQNBNLTZFG", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L17", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC1Cc2··········)c2C1", "total": 60.53, "axes": {"activity": 24.41, "binding": 17.5, "selectivity": 5.57, "admet": 4.3, "novelty": 5.79, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 6.064, "fraction": 0.814}, "binding": {"pIC50": 7.63, "LE": 0.387, "potency_term": 0.875, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.875}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.66, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.589, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "0", "pAct_q10": 6.0643877659692285, "aff_pf": -1.6255496740341187, "aff_hs": -0.9888320366541544, "repeats_pf": {"runs": 3, "values": [-1.5374, -1.5421, -1.7972], "mean": -1.6255, "spread": 0.2598}, "repeats_hs": {"runs": 3, "values": [-0.8765, -1.2277, -0.8623], "mean": -0.9888, "spread": 0.3654}, "at": 1787885876}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822363, "scored_at": 1787885876, "alerts": [], "rank": 872}, {"candidate_id": "ODC-7F771E", "res_at": 1789592452, "skeleton": "DJDYUEBRJONGOK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Br", "total": 60.514, "axes": {"activity": 19.81, "binding": 17.57, "selectivity": 9.21, "admet": 4.74, "novelty": 5.77, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.789, "fraction": 0.66}, "binding": {"pIC50": 7.64, "LE": 0.387, "potency_term": 0.879, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.508, "herg": 0.197, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.788771651842107, "aff_pf": -1.6359590689341228, "aff_hs": -0.5872383813063303, "repeats_pf": {"runs": 3, "values": [-1.6861, -1.6006, -1.6211], "mean": -1.636, "spread": 0.0855}, "repeats_hs": {"runs": 3, "values": [-0.7146, -0.6187, -0.4285], "mean": -0.5872, "spread": 0.2861}, "at": 1789592452}, "tier": 1, "alerts": [], "total_sd": 0.818, "total_ci95": [58.996, 62.077], "relegate_reason": [], "submitted_at": 1789579624, "scored_at": 1789592452, "rank": 873}, {"candidate_id": "ODC-62AB5A", "res_at": 1788584526, "skeleton": "NURGSSDGCZYDBI", "hf_user": "Bio-JS", "display_name": "0905-S1-02 SMe/CN/Me/Cl", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.513, "axes": {"activity": 14.89, "binding": 16.41, "selectivity": 16.41, "admet": 5.48, "novelty": 3.58, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.493, "fraction": 0.496}, "binding": {"pIC50": 7.46, "LE": 0.465, "potency_term": 0.82, "efficiency_cap": 1.0}, "selectivity": {"fold": 141.0, "selectivity_term": 1.0, "target_engagement": 0.82}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.226, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.365, "herg": 0.761, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.493358951208256, "aff_pf": -1.4611728588740032, "aff_hs": 0.687961995601654, "repeats_pf": {"runs": 3, "values": [-1.5217, -1.4948, -1.367], "mean": -1.4612, "spread": 0.1547}, "repeats_hs": {"runs": 3, "values": [0.5557, 0.6465, 0.8617], "mean": 0.688, "spread": 0.3061}, "at": 1788584526}, "tier": 1, "alerts": [], "total_sd": 0.746, "total_ci95": [58.767, 61.635], "relegate_reason": [], "submitted_at": 1788559490, "scored_at": 1788584526, "rank": 874}, {"candidate_id": "ODC-0674ED", "res_at": 1789438860, "skeleton": "MHGVTTMNAXIJSA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.512, "axes": {"activity": 12.1, "binding": 18.18, "selectivity": 17.17, "admet": 4.79, "novelty": 4.31, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 7.73, "LE": 0.423, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 77.5, "selectivity_term": 0.945, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.864, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.326221877015308, "aff_pf": -1.7264855702718098, "aff_hs": 0.1629388928413391, "repeats_pf": {"runs": 3, "values": [-1.7391, -1.7926, -1.6478], "mean": -1.7265, "spread": 0.1448}, "repeats_hs": {"runs": 3, "values": [0.2331, 0.1606, 0.0952], "mean": 0.1629, "spread": 0.1379}, "at": 1789438860}, "tier": 1, "alerts": [], "total_sd": 1.017, "total_ci95": [58.42, 62.279], "relegate_reason": [], "submitted_at": 1789435677, "scored_at": 1789438860, "rank": 875}, {"candidate_id": "ODC-F0D0BA", "res_at": 1787175423, "skeleton": "UPDJMMBCIQMSNN", "hf_user": "1Dmeds", "display_name": "ODC26-FN-20", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 60.509, "axes": {"activity": 22.07, "binding": 18.23, "selectivity": 4.92, "admet": 5.9, "novelty": 5.66, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.924, "fraction": 0.736}, "binding": {"pIC50": 7.74, "LE": 0.408, "potency_term": 0.912, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.912}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.577, "ld50-zhu": 0.616, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.924288864896691, "aff_pf": -1.7350479364395142, "aff_hs": -1.1952509085337322, "repeats_pf": {"runs": 3, "values": [-1.7676, -1.7475, -1.6901], "mean": -1.735, "spread": 0.0775}, "repeats_hs": {"runs": 3, "values": [-1.1653, -1.2658, -1.1547], "mean": -1.1953, "spread": 0.1111}, "at": 1787175423}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171783, "scored_at": 1787175423, "alerts": [], "rank": 876}, {"candidate_id": "ODC-71AFA2", "res_at": 1787634680, "skeleton": "ZFPIGNGSUWSLIC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.501, "axes": {"activity": 18.24, "binding": 18.43, "selectivity": 9.17, "admet": 5.97, "novelty": 4.84, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.695, "fraction": 0.608}, "binding": {"pIC50": 7.77, "LE": 0.443, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.268, "ld50-zhu": 0.466, "herg": 0.67, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.694641096026044, "aff_pf": -1.7650160789489746, "aff_hs": -0.7696572740872701, "repeats_pf": {"runs": 3, "values": [-1.7277, -1.7792, -1.7881], "mean": -1.765, "spread": 0.0604}, "repeats_hs": {"runs": 3, "values": [-0.8045, -0.7918, -0.7127], "mean": -0.7697, "spread": 0.0917}, "at": 1787634680}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633823, "scored_at": 1787634680, "alerts": [], "rank": 877}, {"candidate_id": "ODC-FBAFB2", "res_at": 1786890317, "skeleton": "LINBOOFJWYSHFX", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(C)cc(Nc3ccc(C(C)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 60.499, "axes": {"activity": 19.56, "binding": 16.92, "selectivity": 10.45, "admet": 6.52, "novelty": 3.19, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.774, "fraction": 0.652}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.2, "selectivity_term": 0.618, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.34, "cyp3a4-substrate-carbonmangels": 0.258, "ld50-zhu": 0.415, "herg": 0.673, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.773779193930939, "aff_pf": -1.537367582321167, "aff_hs": -0.30147136747837067, "repeats_pf": {"runs": 3, "values": [-1.4832, -1.5787, -1.5502], "mean": -1.5374, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [-0.2985, -0.3587, -0.2472], "mean": -0.3015, "spread": 0.1114}, "at": 1786890317}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876307, "scored_at": 1786890317, "alerts": [], "rank": 878}, {"candidate_id": "ODC-850F24", "res_at": 1786862489, "skeleton": "DVXGWGLUPXBWED", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 60.49, "axes": {"activity": 10.23, "binding": 19.67, "selectivity": 15.24, "admet": 6.64, "novelty": 4.83, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.214, "fraction": 0.341}, "binding": {"pIC50": 7.95, "LE": 0.419, "potency_term": 0.983, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.4, "selectivity_term": 0.775, "target_engagement": 0.983}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.416, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.521, "herg": 0.294, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.213504125327431, "aff_pf": -1.950181285540263, "aff_hs": -0.40063976248105365, "repeats_pf": {"runs": 3, "values": [-1.9732, -1.9106, -1.9667], "mean": -1.9502, "spread": 0.0626}, "repeats_hs": {"runs": 3, "values": [-0.4256, -0.3449, -0.4314], "mean": -0.4006, "spread": 0.0864}, "at": 1786862489}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855393, "scored_at": 1786862489, "alerts": [], "rank": 879}, {"candidate_id": "ODC-6CC557", "res_at": 1788265562, "skeleton": "ZZQNHMVENJYCTH", "hf_user": "Ku-ku", "display_name": "KK-M-0831-319", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 60.482, "axes": {"activity": 6.87, "binding": 20.0, "selectivity": 18.38, "admet": 4.91, "novelty": 7.47, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.012, "fraction": 0.229}, "binding": {"pIC50": 8.02, "LE": 0.423, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 68.8, "selectivity_term": 0.919, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.531, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.012036355961674, "aff_pf": -2.0191869338353476, "aff_hs": -0.18148621916770935, "repeats_pf": {"runs": 3, "values": [-1.955, -2.0448, -2.0578], "mean": -2.0192, "spread": 0.1029}, "repeats_hs": {"runs": 3, "values": [-0.1347, -0.1473, -0.2624], "mean": -0.1815, "spread": 0.1277}, "at": 1788265562}, "tier": 1, "alerts": [], "total_sd": 0.531, "total_ci95": [59.186, 61.252], "relegate_reason": [], "submitted_at": 1788231457, "scored_at": 1788265562, "rank": 880}, {"candidate_id": "ODC-CD2011", "res_at": 1787999251, "skeleton": "ADRWQHVTSCNOOD", "hf_user": "Ku-ku", "display_name": "KK-M-0829-653", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1c(C··········)CCC2", "total": 60.474, "axes": {"activity": 26.53, "binding": 14.87, "selectivity": 5.34, "admet": 4.05, "novelty": 6.09, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.192, "fraction": 0.884}, "binding": {"pIC50": 7.23, "LE": 0.367, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.359, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.662, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.158, "ld50-zhu": 0.505, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 6.191565015274192, "aff_pf": -1.230244755744934, "aff_hs": -0.512367715438207, "repeats_pf": {"runs": 3, "values": [-1.1851, -1.1807, -1.3249], "mean": -1.2302, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [-0.5282, -0.589, -0.4199], "mean": -0.5124, "spread": 0.1691}, "at": 1787999251}, "tier": 1, "alerts": [], "total_sd": 0.713, "total_ci95": [59.302, 62.065], "relegate_reason": [], "submitted_at": 1787972509, "scored_at": 1787999251, "rank": 881}, {"candidate_id": "ODC-1F4E7F", "res_at": 1788065994, "skeleton": "YBCXLNZYDAAOBZ", "hf_user": "Bio-JS", "display_name": "23 A6 2-에타이닐/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 60.462, "axes": {"activity": 23.33, "binding": 13.88, "selectivity": 11.55, "admet": 3.25, "novelty": 5.5, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 6.0, "fraction": 0.778}, "binding": {"pIC50": 7.36, "LE": 0.265, "potency_term": 0.785, "efficiency_cap": 0.884}, "selectivity": {"fold": 29.6, "selectivity_term": 0.735, "target_engagement": 0.785}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.513, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.124}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.000068195597133, "aff_pf": -1.3558439413706462, "aff_hs": 0.11502561966578166, "repeats_pf": {"runs": 3, "values": [-1.4259, -1.3546, -1.287], "mean": -1.3558, "spread": 0.139}, "repeats_hs": {"runs": 3, "values": [0.1425, 0.2323, -0.0297], "mean": 0.115, "spread": 0.262}, "at": 1788065994}, "tier": 1, "alerts": [], "total_sd": 0.878, "total_ci95": [58.631, 61.921], "relegate_reason": [], "submitted_at": 1788017494, "scored_at": 1788065994, "rank": 882}, {"candidate_id": "ODC-EE6A7C", "res_at": 1787084634, "skeleton": "GYBBWDJVUOGAIL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 60.456, "axes": {"activity": 12.64, "binding": 16.59, "selectivity": 16.59, "admet": 6.08, "novelty": 5.45, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 7.49, "LE": 0.446, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 121.4, "selectivity_term": 1.0, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.795, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.638, "herg": 0.51, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.35826152717896, "aff_pf": -1.488769292831421, "aff_hs": 0.5953301588694254, "repeats_pf": {"runs": 3, "values": [-1.4919, -1.5013, -1.4731], "mean": -1.4888, "spread": 0.0281}, "repeats_hs": {"runs": 3, "values": [0.4958, 0.5703, 0.7199], "mean": 0.5953, "spread": 0.2241}, "at": 1787084634}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074087, "scored_at": 1787084634, "alerts": [], "rank": 883}, {"candidate_id": "ODC-9424B7", "res_at": 1786903416, "skeleton": "DLOUCCIMVXZECD", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.436, "axes": {"activity": 18.74, "binding": 15.21, "selectivity": 12.96, "admet": 6.11, "novelty": 4.11, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.725, "fraction": 0.625}, "binding": {"pIC50": 7.28, "LE": 0.399, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.6, "selectivity_term": 0.852, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.904, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.448, "cyp3a4-substrate-carbonmangels": 0.282, "ld50-zhu": 0.593, "herg": 0.544, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.724508085174728, "aff_pf": -1.281899094581604, "aff_hs": 0.42197997371355694, "repeats_pf": {"runs": 3, "values": [-1.3343, -1.3313, -1.18], "mean": -1.2819, "spread": 0.1543}, "repeats_hs": {"runs": 3, "values": [0.5639, 0.3724, 0.3296], "mean": 0.422, "spread": 0.2343}, "at": 1786903416}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900274, "scored_at": 1786903416, "alerts": [], "rank": 884}, {"candidate_id": "ODC-5D0B5C", "res_at": 1786776324, "skeleton": "FFPGILNPDPAPNS", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC3-C3-01-IodoBromo", "model_name": "OpenCrab-ALEXAI candidate panel v0.3", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.43, "axes": {"activity": 13.84, "binding": 18.18, "selectivity": 14.84, "admet": 6.43, "novelty": 3.2, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 7.73, "LE": 0.46, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.9, "selectivity_term": 0.816, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.379, "herg": 0.625, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.430151848351335, "aff_pf": -1.726322889328003, "aff_hs": -0.09379246830940247, "at": 1786776324}, "tier": 1, "relegate_reason": [], "submitted_at": 1786775814, "scored_at": 1786776324, "alerts": [], "rank": 885}, {"candidate_id": "ODC-1E9314", "res_at": 1786770599, "skeleton": "RVMRAGXZJHICCG", "hf_user": "PhD-Shin", "display_name": "PhD.Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.42, "axes": {"activity": 15.61, "binding": 17.8, "selectivity": 14.1, "admet": 6.6, "novelty": 2.35, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.52}, "binding": {"pIC50": 7.67, "LE": 0.457, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.4, "selectivity_term": 0.792, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.322, "herg": 0.696, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.736, "novelty": 0.264}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.536827199113473, "aff_pf": -1.6705739498138428, "aff_hs": -0.08644324541091919, "at": 1786770599}, "tier": 1, "relegate_reason": [], "submitted_at": 1786770341, "scored_at": 1786770599, "alerts": [], "rank": 886}, {"candidate_id": "ODC-F02E75", "res_at": 1787033351, "skeleton": "HWGSYJVJWDLSOL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 60.406, "axes": {"activity": 20.83, "binding": 15.85, "selectivity": 10.87, "admet": 4.99, "novelty": 4.62, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.85, "fraction": 0.694}, "binding": {"pIC50": 7.38, "LE": 0.439, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.6, "selectivity_term": 0.686, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.592, "ld50-zhu": 0.411, "herg": 0.661, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.849567124187291, "aff_pf": -1.376839518547058, "aff_hs": -0.004229117184877396, "repeats_pf": {"runs": 3, "values": [-1.4029, -1.3522, -1.3754], "mean": -1.3768, "spread": 0.0508}, "repeats_hs": {"runs": 3, "values": [-0.1317, 0.0476, 0.0714], "mean": -0.0042, "spread": 0.2031}, "at": 1787033351}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030823, "scored_at": 1787033351, "alerts": [], "rank": 887}, {"candidate_id": "ODC-81B72C", "res_at": 1789622473, "skeleton": "IHVWXYTVMYYETC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········3)cc1", "total": 60.401, "axes": {"activity": 22.26, "binding": 15.52, "selectivity": 9.69, "admet": 5.75, "novelty": 3.37, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.936, "fraction": 0.742}, "binding": {"pIC50": 7.33, "LE": 0.436, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.32, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.256, "herg": 0.498, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.935708082974071, "aff_pf": -1.327805757522583, "aff_hs": -0.07901965640485287, "repeats_pf": {"runs": 3, "values": [-1.3144, -1.3105, -1.3585], "mean": -1.3278, "spread": 0.048}, "repeats_hs": {"runs": 3, "values": [-0.2262, -0.0176, 0.0067], "mean": -0.079, "spread": 0.2329}, "at": 1789622473}, "tier": 1, "alerts": [], "total_sd": 0.532, "total_ci95": [59.417, 61.457], "relegate_reason": [], "submitted_at": 1789619125, "scored_at": 1789622473, "rank": 888}, {"candidate_id": "ODC-1A6FB2", "res_at": 1787657387, "skeleton": "DNRNSOPKMWUWEZ", "hf_user": "Ku-ku", "display_name": "KK-M-0825-03", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········nc2n1", "total": 60.374, "axes": {"activity": 24.85, "binding": 13.01, "selectivity": 8.7, "admet": 4.72, "novelty": 5.6, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.091, "fraction": 0.828}, "binding": {"pIC50": 6.95, "LE": 0.34, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.523, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.302, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 6.090780340435396, "aff_pf": -0.9508412480354309, "aff_hs": 0.387467622756958, "repeats_pf": {"runs": 3, "values": [-0.974, -0.9785, -0.9], "mean": -0.9508, "spread": 0.0785}, "repeats_hs": {"runs": 3, "values": [0.3344, 0.5055, 0.3225], "mean": 0.3875, "spread": 0.1831}, "at": 1787657387}, "tier": 1, "relegate_reason": [], "submitted_at": 1787656822, "scored_at": 1787657387, "alerts": [], "rank": 889}, {"candidate_id": "ODC-77BA4A", "res_at": 1787014130, "skeleton": "NEKZLWXFZRLXNE", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)COC1", "total": 60.37, "axes": {"activity": 27.88, "binding": 10.65, "selectivity": 5.63, "admet": 6.01, "novelty": 6.64, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 6.273, "fraction": 0.929}, "binding": {"pIC50": 6.76, "LE": 0.272, "potency_term": 0.586, "efficiency_cap": 0.908}, "selectivity": {"fold": 9.1, "selectivity_term": 0.48, "target_engagement": 0.586}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.994, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.515, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "2", "pAct_q10": 6.2727696971143345, "aff_pf": -0.7594965895016988, "aff_hs": 0.19984447956085205, "repeats_pf": {"runs": 3, "values": [-0.7741, -0.8902, -0.6142], "mean": -0.7595, "spread": 0.2759}, "repeats_hs": {"runs": 3, "values": [0.1792, 0.3175, 0.1028], "mean": 0.1998, "spread": 0.2147}, "at": 1787014130}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013551, "scored_at": 1787014130, "alerts": [], "rank": 890}, {"candidate_id": "ODC-343538", "res_at": 1786948490, "skeleton": "IGQQQFRGTGNVDY", "hf_user": "ipsych", "display_name": "TPH-CN5-SMe-4CF2Me-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.367, "axes": {"activity": 17.68, "binding": 16.68, "selectivity": 12.48, "admet": 5.51, "novelty": 4.63, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.661, "fraction": 0.589}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.4, "selectivity_term": 0.748, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.543, "herg": 0.67, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.661004602133197, "aff_pf": -1.5014067490895588, "aff_hs": -0.004493258893489838, "repeats_pf": {"runs": 3, "values": [-1.4796, -1.5313, -1.4933], "mean": -1.5014, "spread": 0.0517}, "repeats_hs": {"runs": 3, "values": [-0.0108, -0.0499, 0.0472], "mean": -0.0045, "spread": 0.0971}, "at": 1786948490}, "tier": 1, "relegate_reason": [], "submitted_at": 1786936765, "scored_at": 1786948490, "alerts": [], "rank": 891}, {"candidate_id": "ODC-43F3E0", "res_at": 1788079523, "skeleton": "NMUPFPIRHQSNEF", "hf_user": "Ku-ku", "display_name": "KK-M-0830-361", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········)CCC2", "total": 60.366, "axes": {"activity": 24.04, "binding": 13.79, "selectivity": 10.13, "admet": 3.56, "novelty": 5.68, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 6.043, "fraction": 0.801}, "binding": {"pIC50": 7.07, "LE": 0.372, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.4, "selectivity_term": 0.734, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.654, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.0426869185120315, "aff_pf": -1.0685198704401653, "aff_hs": 0.3999822239081065, "repeats_pf": {"runs": 3, "values": [-0.9277, -1.072, -1.2058], "mean": -1.0685, "spread": 0.2781}, "repeats_hs": {"runs": 3, "values": [0.4848, 0.3178, 0.3974], "mean": 0.4, "spread": 0.167}, "at": 1788079523}, "tier": 1, "alerts": [], "total_sd": 1.251, "total_ci95": [58.004, 63.158], "relegate_reason": [], "submitted_at": 1788038806, "scored_at": 1788079523, "rank": 892}, {"candidate_id": "ODC-B39521", "res_at": 1786773088, "skeleton": "MFFXKSRMWVYUFX", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC2-P1-IodoChloro", "model_name": "OpenCrab-ALEXAI candidate panel v0.2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.36, "axes": {"activity": 14.21, "binding": 18.73, "selectivity": 14.49, "admet": 5.95, "novelty": 2.83, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 5.453, "fraction": 0.474}, "binding": {"pIC50": 7.81, "LE": 0.465, "potency_term": 0.936, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.3, "selectivity_term": 0.774, "target_engagement": 0.936}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.116, "ld50-zhu": 0.337, "herg": 0.605, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.452583711997954, "aff_pf": -1.8092912435531616, "aff_hs": -0.2615545094013214, "at": 1786773088}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772823, "scored_at": 1786773088, "alerts": [], "rank": 893}, {"candidate_id": "ODC-43EBC4", "res_at": 1786918307, "skeleton": "XZQSKTQSDKDMJI", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.357, "axes": {"activity": 12.35, "binding": 17.84, "selectivity": 15.82, "admet": 5.98, "novelty": 4.69, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.412}, "binding": {"pIC50": 7.68, "LE": 0.478, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.3, "selectivity_term": 0.886, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.639, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.593, "herg": 0.493, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.340815414830334, "aff_pf": -1.6763607660929363, "aff_hs": 0.09652661283810933, "repeats_pf": {"runs": 3, "values": [-1.664, -1.6564, -1.7088], "mean": -1.6764, "spread": 0.0524}, "repeats_hs": {"runs": 3, "values": [0.0305, 0.2689, -0.0098], "mean": 0.0965, "spread": 0.2787}, "at": 1786918307}, "tier": 1, "relegate_reason": [], "submitted_at": 1786918135, "scored_at": 1786918307, "alerts": [], "rank": 894}, {"candidate_id": "ODC-8A9783", "res_at": 1789533084, "skeleton": "KAPUWOAOUOTIEA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 60.339, "axes": {"activity": 10.45, "binding": 18.72, "selectivity": 16.99, "admet": 5.11, "novelty": 4.98, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.227, "fraction": 0.348}, "binding": {"pIC50": 7.81, "LE": 0.428, "potency_term": 0.936, "efficiency_cap": 1.0}, "selectivity": {"fold": 65.2, "selectivity_term": 0.907, "target_engagement": 0.936}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.777, "cyp2c9-veith": 0.14, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.572, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.227189151339917, "aff_pf": -1.8087472518285115, "aff_hs": 0.005572512745857239, "repeats_pf": {"runs": 3, "values": [-1.8002, -1.7921, -1.834], "mean": -1.8087, "spread": 0.0419}, "repeats_hs": {"runs": 3, "values": [0.04, -0.0935, 0.0703], "mean": 0.0056, "spread": 0.1638}, "at": 1789533084}, "tier": 1, "alerts": [], "total_sd": 0.439, "total_ci95": [59.412, 61.159], "relegate_reason": [], "submitted_at": 1789524925, "scored_at": 1789533084, "rank": 895}, {"candidate_id": "ODC-CF5EA3", "res_at": 1787032981, "skeleton": "SNERYIWZTOZLID", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1I", "total": 60.317, "axes": {"activity": 17.84, "binding": 17.48, "selectivity": 10.22, "admet": 5.99, "novelty": 5.22, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.671, "fraction": 0.595}, "binding": {"pIC50": 7.62, "LE": 0.435, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.584, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.385, "ld50-zhu": 0.482, "herg": 0.441, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.670606411939283, "aff_pf": -1.6222617626190186, "aff_hs": -0.45331230759620667, "repeats_pf": {"runs": 3, "values": [-1.6874, -1.6582, -1.5213], "mean": -1.6223, "spread": 0.1661}, "repeats_hs": {"runs": 3, "values": [-0.4074, -0.5006, -0.4519], "mean": -0.4533, "spread": 0.0933}, "at": 1787032981}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030790, "scored_at": 1787032981, "alerts": [], "rank": 896}, {"candidate_id": "ODC-91C0F7", "res_at": 1788294793, "skeleton": "YRWBSQDOSCNNBR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-B-H2-cpa-g-C5-isopentyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 60.313, "axes": {"activity": 30.0, "binding": 14.58, "selectivity": 0.69, "admet": 4.67, "novelty": 6.49, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.588, "fraction": 1.0}, "binding": {"pIC50": 7.35, "LE": 0.28, "potency_term": 0.782, "efficiency_cap": 0.932}, "selectivity": {"fold": 1.2, "selectivity_term": 0.044, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.294, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.62, "herg": 0.136, "dili": 0.304}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.588019382460901, "aff_pf": -1.3473178148269653, "aff_hs": -1.2593303124109905, "repeats_pf": {"runs": 3, "values": [-1.48, -1.2534, -1.3086], "mean": -1.3473, "spread": 0.2266}, "repeats_hs": {"runs": 3, "values": [-1.3892, -1.3266, -1.0622], "mean": -1.2593, "spread": 0.327}, "at": 1788294793}, "tier": 1, "alerts": [], "total_sd": 1.065, "total_ci95": [59.01, 62.724], "relegate_reason": [], "submitted_at": 1788271633, "scored_at": 1788294793, "rank": 897}, {"candidate_id": "ODC-2E5917", "res_at": 1787158694, "skeleton": "LRYFNCUOTUEGIX", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 60.296, "axes": {"activity": 13.07, "binding": 18.89, "selectivity": 14.69, "admet": 4.5, "novelty": 5.18, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 7.83, "LE": 0.429, "potency_term": 0.944, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.9, "selectivity_term": 0.778, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.499, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.791, "ld50-zhu": 0.674, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.384346882908449, "aff_pf": -1.8334076007207234, "aff_hs": -0.2778116861979167, "repeats_pf": {"runs": 3, "values": [-1.8195, -1.8512, -1.8296], "mean": -1.8334, "spread": 0.0317}, "repeats_hs": {"runs": 3, "values": [-0.3744, -0.1664, -0.2926], "mean": -0.2778, "spread": 0.208}, "at": 1787158694}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148804, "scored_at": 1787158694, "alerts": [], "rank": 898}, {"candidate_id": "ODC-0FE737", "res_at": 1787871585, "skeleton": "MRKMJSHFXREVDI", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N7", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1CCc2··········)cc21", "total": 60.288, "axes": {"activity": 27.77, "binding": 16.67, "selectivity": 2.27, "admet": 4.35, "novelty": 6.08, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 6.266, "fraction": 0.926}, "binding": {"pIC50": 7.5, "LE": 0.395, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.136, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.543, "ld50-zhu": 0.475, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "0", "pAct_q10": 6.266354579221719, "aff_pf": -1.501243034998576, "aff_hs": -1.229548970858256, "repeats_pf": {"runs": 3, "values": [-1.4868, -1.5434, -1.4735], "mean": -1.5012, "spread": 0.0699}, "repeats_hs": {"runs": 3, "values": [-1.3018, -1.1937, -1.1931], "mean": -1.2295, "spread": 0.1087}, "at": 1787839481}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784259, "scored_at": 1787839481, "alerts": [], "rank": 899}, {"candidate_id": "ODC-273C99", "res_at": 1788096656, "skeleton": "MUIRUJJHIDRLKQ", "hf_user": "Ku-ku", "display_name": "KK-M-0830-337", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 60.279, "axes": {"activity": 23.22, "binding": 12.51, "selectivity": 12.0, "admet": 4.13, "novelty": 5.16, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.993, "fraction": 0.774}, "binding": {"pIC50": 6.88, "LE": 0.349, "potency_term": 0.625, "efficiency_cap": 1.0}, "selectivity": {"fold": 83.0, "selectivity_term": 0.959, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.462, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.559, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.993428946930857, "aff_pf": -0.8762061595916748, "aff_hs": 1.0426657994588215, "repeats_pf": {"runs": 3, "values": [-0.8574, -0.9133, -0.8579], "mean": -0.8762, "spread": 0.0559}, "repeats_hs": {"runs": 3, "values": [1.1709, 1.0286, 0.9284], "mean": 1.0427, "spread": 0.2425}, "at": 1788096656}, "tier": 1, "alerts": [], "total_sd": 0.434, "total_ci95": [59.42, 61.035], "relegate_reason": [], "submitted_at": 1788092663, "scored_at": 1788096656, "rank": 900}, {"candidate_id": "ODC-6D50F4", "res_at": 1786872361, "skeleton": "FMUMNUZRRHYENI", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "public", "smiles": "CC(F)(F)c1nc2nc(Br)cc(Nc3ccc(C(F)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 60.274, "axes": {"activity": 16.66, "binding": 18.26, "selectivity": 12.24, "admet": 5.41, "novelty": 3.87, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 7.74, "LE": 0.408, "potency_term": 0.913, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.9, "selectivity_term": 0.67, "target_engagement": 0.913}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.813, "ld50-zhu": 0.398, "herg": 0.217, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.599496820630131, "aff_pf": -1.7396532694498699, "aff_hs": -0.3991998831431071, "repeats_pf": {"runs": 3, "values": [-1.7379, -1.7229, -1.7581], "mean": -1.7397, "spread": 0.0352}, "repeats_hs": {"runs": 3, "values": [-0.4334, -0.4599, -0.3044], "mean": -0.3992, "spread": 0.1555}, "at": 1786872361}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866229, "scored_at": 1786872361, "alerts": [], "rank": 901}, {"candidate_id": "ODC-386703", "res_at": 1790024996, "skeleton": "AXQPKBDHAPGNQK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(O)(F··········cc1Cl", "total": 60.264, "axes": {"activity": 23.5, "binding": 14.13, "selectivity": 10.66, "admet": 4.86, "novelty": 4.46, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 6.01, "fraction": 0.783}, "binding": {"pIC50": 7.12, "LE": 0.375, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.2, "selectivity_term": 0.754, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.441, "herg": 0.415, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "0", "pAct_q10": 6.0101232335279695, "aff_pf": -1.1198320388793945, "aff_hs": 0.3885167638460795, "repeats_pf": {"runs": 3, "values": [-1.2476, -1.0717, -1.0401], "mean": -1.1198, "spread": 0.2075}, "repeats_hs": {"runs": 3, "values": [0.385, 0.3516, 0.4289], "mean": 0.3885, "spread": 0.0773}, "at": 1790024996}, "tier": 1, "alerts": [], "total_sd": 1.025, "total_ci95": [58.806, 62.632], "relegate_reason": [], "submitted_at": 1790009077, "scored_at": 1790024996, "rank": 902}, {"candidate_id": "ODC-CFCB24", "res_at": 1788230969, "skeleton": "WYTIOMPDRMDYJI", "hf_user": "Ku-ku", "display_name": "KK-M-0831-371", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 60.25, "axes": {"activity": 25.86, "binding": 14.81, "selectivity": 6.81, "admet": 3.92, "novelty": 6.32, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 6.151, "fraction": 0.862}, "binding": {"pIC50": 7.22, "LE": 0.341, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.882, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.477, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "3", "pAct_q10": 6.151440143927406, "aff_pf": -1.2213191986083984, "aff_hs": -0.30223673582077026, "repeats_pf": {"runs": 3, "values": [-1.2082, -1.247, -1.2088], "mean": -1.2213, "spread": 0.0387}, "repeats_hs": {"runs": 3, "values": [-0.2556, -0.4499, -0.2011], "mean": -0.3022, "spread": 0.2488}, "at": 1788230969}, "tier": 1, "alerts": [], "total_sd": 0.513, "total_ci95": [59.37, 61.223], "relegate_reason": [], "submitted_at": 1788186740, "scored_at": 1788230969, "rank": 903}, {"candidate_id": "ODC-C364FB", "res_at": 1786984189, "skeleton": "JDLMVZNAQGOVNX", "hf_user": "takutoyo", "display_name": "PfD4-01", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.244, "axes": {"activity": 17.11, "binding": 17.5, "selectivity": 12.58, "admet": 5.05, "novelty": 4.15, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 7.63, "LE": 0.435, "potency_term": 0.875, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.4, "selectivity_term": 0.719, "target_engagement": 0.875}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.938, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.647, "herg": 0.295, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.626322343529703, "aff_pf": -1.62561829884847, "aff_hs": -0.18831579387187958, "repeats_pf": {"runs": 3, "values": [-1.6169, -1.642, -1.6179], "mean": -1.6256, "spread": 0.0251}, "repeats_hs": {"runs": 3, "values": [-0.1737, -0.1922, -0.199], "mean": -0.1883, "spread": 0.0253}, "at": 1786984189}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979713, "scored_at": 1786984189, "alerts": [], "rank": 904}, {"candidate_id": "ODC-76334D", "res_at": 1788596482, "skeleton": "QTWUWRJODWAJIK", "hf_user": "Bio-JS", "display_name": "0905-S1-28 SMe/CN/CF3/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.195, "axes": {"activity": 16.47, "binding": 15.44, "selectivity": 15.4, "admet": 5.54, "novelty": 3.99, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.588, "fraction": 0.549}, "binding": {"pIC50": 7.32, "LE": 0.401, "potency_term": 0.772, "efficiency_cap": 1.0}, "selectivity": {"fold": 98.8, "selectivity_term": 0.997, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.537, "herg": 0.486, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.588366482397004, "aff_pf": -1.316427230834961, "aff_hs": 0.678381085395813, "repeats_pf": {"runs": 3, "values": [-1.3215, -1.3072, -1.3206], "mean": -1.3164, "spread": 0.0143}, "repeats_hs": {"runs": 3, "values": [0.6497, 0.691, 0.6944], "mean": 0.6784, "spread": 0.0447}, "at": 1788596482}, "tier": 1, "alerts": [], "total_sd": 0.115, "total_ci95": [59.95, 60.33], "relegate_reason": [], "submitted_at": 1788560489, "scored_at": 1788596482, "rank": 905}, {"candidate_id": "ODC-0324C2", "res_at": 1787202811, "skeleton": "JLTLTFJDYHNNFO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 60.189, "axes": {"activity": 20.82, "binding": 16.73, "selectivity": 9.04, "admet": 5.16, "novelty": 4.88, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.849, "fraction": 0.694}, "binding": {"pIC50": 7.51, "LE": 0.447, "potency_term": 0.836, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 0.472, "ld50-zhu": 0.322, "herg": 0.841, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.849037587584745, "aff_pf": -1.5092344284057617, "aff_hs": -0.42874783277511597, "repeats_pf": {"runs": 3, "values": [-1.5056, -1.486, -1.5361], "mean": -1.5092, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [-0.3089, -0.2617, -0.7156], "mean": -0.4287, "spread": 0.4538}, "at": 1787202811}, "tier": 1, "relegate_reason": [], "submitted_at": 1787199405, "scored_at": 1787202811, "alerts": [], "rank": 906}, {"candidate_id": "ODC-E38EF6", "res_at": 1788231901, "skeleton": "SIERCMNLPJOCKS", "hf_user": "Ku-ku", "display_name": "KK-M-0831-783", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)C2", "total": 60.189, "axes": {"activity": 18.87, "binding": 17.44, "selectivity": 10.94, "admet": 4.38, "novelty": 6.45, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.732, "fraction": 0.629}, "binding": {"pIC50": 7.62, "LE": 0.373, "potency_term": 0.872, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.0, "selectivity_term": 0.627, "target_engagement": 0.872}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 4.31}}, "run": {"gpu": "3", "pAct_q10": 5.732090756455535, "aff_pf": -1.6159168084462483, "aff_hs": -0.36151015758514404, "repeats_pf": {"runs": 3, "values": [-1.657, -1.6034, -1.5874], "mean": -1.6159, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [-0.3973, -0.3175, -0.3698], "mean": -0.3615, "spread": 0.0798}, "at": 1788231901}, "tier": 1, "alerts": [], "total_sd": 0.438, "total_ci95": [59.392, 60.993], "relegate_reason": [], "submitted_at": 1788186764, "scored_at": 1788231901, "rank": 907}, {"candidate_id": "ODC-EA13D5", "res_at": 1786872611, "skeleton": "ZBGJVLMKGOXVMA", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.173, "axes": {"activity": 14.68, "binding": 17.08, "selectivity": 15.35, "admet": 4.12, "novelty": 5.1, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 7.56, "LE": 0.414, "potency_term": 0.854, "efficiency_cap": 1.0}, "selectivity": {"fold": 62.6, "selectivity_term": 0.898, "target_engagement": 0.854}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.915, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.480851405571065, "aff_pf": -1.5626630783081055, "aff_hs": 0.23423619071642557, "repeats_pf": {"runs": 3, "values": [-1.541, -1.5549, -1.5921], "mean": -1.5627, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [0.2938, 0.2053, 0.2036], "mean": 0.2342, "spread": 0.0901}, "at": 1786872611}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866229, "scored_at": 1786872611, "alerts": [], "rank": 908}, {"candidate_id": "ODC-A03F09", "res_at": 1788475659, "skeleton": "PQPBVFYFAYYAPE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R160-07", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 60.157, "axes": {"activity": 21.4, "binding": 13.49, "selectivity": 14.11, "admet": 3.38, "novelty": 4.87, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.884, "fraction": 0.713}, "binding": {"pIC50": 7.12, "LE": 0.287, "potency_term": 0.705, "efficiency_cap": 0.956}, "selectivity": {"fold": 235.1, "selectivity_term": 1.0, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.438, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.098, "dili": 0.229}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.883986883648288, "aff_pf": -1.1164902846018474, "aff_hs": 1.2547456820805867, "repeats_pf": {"runs": 3, "values": [-1.1727, -1.0781, -1.0986], "mean": -1.1165, "spread": 0.0946}, "repeats_hs": {"runs": 3, "values": [1.2833, 1.2756, 1.2054], "mean": 1.2547, "spread": 0.0779}, "at": 1788475659}, "tier": 1, "alerts": [], "total_sd": 0.345, "total_ci95": [59.687, 60.999], "relegate_reason": [], "submitted_at": 1788414289, "scored_at": 1788475659, "rank": 909}, {"candidate_id": "ODC-64BDAF", "res_at": 1788490264, "skeleton": "CPFYXHANSAYFTR", "hf_user": "Ku-ku", "display_name": "KK-M-0903-190", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 60.157, "axes": {"activity": 9.42, "binding": 18.44, "selectivity": 17.85, "admet": 5.55, "novelty": 5.97, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.165, "fraction": 0.314}, "binding": {"pIC50": 7.77, "LE": 0.426, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 86.3, "selectivity_term": 0.968, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.254, "ld50-zhu": 0.485, "herg": 0.259, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.165491024019044, "aff_pf": -1.7657128969828289, "aff_hs": 0.1703853781024615, "repeats_pf": {"runs": 3, "values": [-1.7521, -1.7784, -1.7667], "mean": -1.7657, "spread": 0.0263}, "repeats_hs": {"runs": 3, "values": [0.007, 0.2034, 0.3007], "mean": 0.1704, "spread": 0.2937}, "at": 1788490264}, "tier": 1, "alerts": [], "total_sd": 0.553, "total_ci95": [59.016, 60.909], "relegate_reason": [], "submitted_at": 1788430772, "scored_at": 1788490264, "rank": 910}, {"candidate_id": "ODC-905936", "res_at": 1787185030, "skeleton": "MJKLLBCHYQZBPC", "hf_user": "Ku-ku", "display_name": "C5_5H_SCH2F_CF3F", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 60.142, "axes": {"activity": 15.68, "binding": 17.57, "selectivity": 10.18, "admet": 7.3, "novelty": 5.59, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.541, "fraction": 0.523}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.879, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.4, "selectivity_term": 0.58, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.65, "cyp3a4-substrate-carbonmangels": 0.794, "ld50-zhu": 0.519, "herg": 0.515, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.540607911628403, "aff_pf": -1.6358868678410847, "aff_hs": -0.4768257935841878, "repeats_pf": {"runs": 3, "values": [-1.6907, -1.6029, -1.6141], "mean": -1.6359, "spread": 0.0878}, "repeats_hs": {"runs": 3, "values": [-0.5226, -0.421, -0.4869], "mean": -0.4768, "spread": 0.1016}, "at": 1787185030}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184041, "scored_at": 1787185030, "alerts": [], "rank": 911}, {"candidate_id": "ODC-7B4F72", "res_at": 1788555185, "skeleton": "WUFBLZPSAUVRPJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D11", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)NC··········F)CC1", "total": 60.138, "axes": {"activity": 28.79, "binding": 10.35, "selectivity": 4.8, "admet": 5.76, "novelty": 6.61, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.328, "fraction": 0.96}, "binding": {"pIC50": 6.68, "LE": 0.277, "potency_term": 0.56, "efficiency_cap": 0.924}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.821, "herg": 0.354, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.327525228312402, "aff_pf": -0.679734468460083, "aff_hs": 0.17798186838626862, "repeats_pf": {"runs": 3, "values": [-0.5424, -0.9219, -0.575], "mean": -0.6797, "spread": 0.3795}, "repeats_hs": {"runs": 3, "values": [0.4715, 0.0861, -0.0236], "mean": 0.178, "spread": 0.4952}, "at": 1788555185}, "tier": 1, "alerts": [], "total_sd": 1.899, "total_ci95": [57.306, 64.303], "relegate_reason": [], "submitted_at": 1788517814, "scored_at": 1788555185, "rank": 912}, {"candidate_id": "ODC-2C7FF2", "res_at": 1788151095, "skeleton": "PWKBEQMUOGYYNG", "hf_user": "Bio-JS", "display_name": "N1 C6 자리 H->Cl (부피 대 전자 분리)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 60.123, "axes": {"activity": 18.89, "binding": 14.42, "selectivity": 14.42, "admet": 4.63, "novelty": 4.66, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.734, "fraction": 0.63}, "binding": {"pIC50": 7.16, "LE": 0.409, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 184.8, "selectivity_term": 1.0, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.55, "ld50-zhu": 0.401, "herg": 0.547, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.733640537950691, "aff_pf": -1.1625973383585613, "aff_hs": 1.1040213108062744, "repeats_pf": {"runs": 3, "values": [-1.1123, -1.2163, -1.1591], "mean": -1.1626, "spread": 0.104}, "repeats_hs": {"runs": 3, "values": [1.1826, 1.0455, 1.084], "mean": 1.104, "spread": 0.1371}, "at": 1788151095}, "tier": 1, "alerts": [], "total_sd": 0.465, "total_ci95": [59.461, 61.147], "relegate_reason": [], "submitted_at": 1788139400, "scored_at": 1788151095, "rank": 913}, {"candidate_id": "ODC-B3B807", "res_at": 1789615156, "skeleton": "LMMSJJMEDDLCRI", "hf_user": "Ku-ku", "display_name": "KK-M-0917-224", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 60.12, "axes": {"activity": 11.4, "binding": 17.87, "selectivity": 13.37, "admet": 8.47, "novelty": 5.91, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.284, "fraction": 0.38}, "binding": {"pIC50": 7.68, "LE": 0.457, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.4, "selectivity_term": 0.748, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.76, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.561, "cyp3a4-substrate-carbonmangels": 0.753, "ld50-zhu": 0.437, "herg": 0.684, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.2841808207529, "aff_pf": -1.6801510254542034, "aff_hs": -0.1834083745876948, "repeats_pf": {"runs": 3, "values": [-1.6523, -1.6761, -1.7121], "mean": -1.6802, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [-0.1992, -0.184, -0.167], "mean": -0.1834, "spread": 0.0322}, "at": 1789615156}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.374, "total_ci95": [59.442, 60.985], "relegate_reason": [], "submitted_at": 1789614795, "scored_at": 1789615156, "rank": 914}, {"candidate_id": "ODC-FB4FF6", "res_at": 1787084267, "skeleton": "DCAVBRUKFFZIEG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 60.093, "axes": {"activity": 16.95, "binding": 16.0, "selectivity": 12.97, "admet": 5.83, "novelty": 5.15, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.617, "fraction": 0.565}, "binding": {"pIC50": 7.4, "LE": 0.39, "potency_term": 0.8, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.8, "selectivity_term": 0.811, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.442, "cyp3a4-substrate-carbonmangels": 0.357, "ld50-zhu": 0.616, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.617042001523286, "aff_pf": -1.3996502161026, "aff_hs": 0.221953754623731, "repeats_pf": {"runs": 3, "values": [-1.3739, -1.4199, -1.4051], "mean": -1.3997, "spread": 0.0461}, "repeats_hs": {"runs": 3, "values": [0.1887, 0.2943, 0.1829], "mean": 0.222, "spread": 0.1113}, "at": 1787084267}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074055, "scored_at": 1787084267, "alerts": [], "rank": 915}, {"candidate_id": "ODC-582CD5", "res_at": 1787081308, "skeleton": "PNSKGQOIZYUCQD", "hf_user": "1Dmeds", "display_name": "ODC26-MB-06", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 60.082, "axes": {"activity": 22.04, "binding": 16.95, "selectivity": 8.18, "admet": 5.35, "novelty": 3.9, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.922, "fraction": 0.735}, "binding": {"pIC50": 7.54, "LE": 0.397, "potency_term": 0.847, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.388, "herg": 0.258, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.922233118281077, "aff_pf": -1.5417590538660686, "aff_hs": -0.575833131869634, "repeats_pf": {"runs": 3, "values": [-1.5664, -1.5034, -1.5555], "mean": -1.5418, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [-0.6952, -0.4174, -0.6149], "mean": -0.5758, "spread": 0.2778}, "at": 1787081308}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069612, "scored_at": 1787081308, "alerts": [], "rank": 916}, {"candidate_id": "ODC-6F3C29", "res_at": 1788579273, "skeleton": "XZXNVVVWTOORSK", "hf_user": "1Dmeds", "display_name": "ODC26-S1D27", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 60.068, "axes": {"activity": 26.81, "binding": 12.39, "selectivity": 6.42, "admet": 4.83, "novelty": 6.5, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 6.208, "fraction": 0.894}, "binding": {"pIC50": 7.03, "LE": 0.275, "potency_term": 0.676, "efficiency_cap": 0.917}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.676}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.086, "cyp2c9-veith": 0.37, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.737, "herg": 0.05, "dili": 0.154}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "0", "pAct_q10": 6.208305466506309, "aff_pf": -1.0269105434417725, "aff_hs": -0.07611516366402309, "repeats_pf": {"runs": 3, "values": [-0.9569, -1.0904, -1.0335], "mean": -1.0269, "spread": 0.1335}, "repeats_hs": {"runs": 3, "values": [0.0284, -0.2225, -0.0343], "mean": -0.0761, "spread": 0.2509}, "at": 1788579273}, "tier": 1, "alerts": [], "total_sd": 0.66, "total_ci95": [58.732, 61.302], "relegate_reason": [], "submitted_at": 1788555549, "scored_at": 1788579273, "rank": 917}, {"candidate_id": "ODC-361445", "res_at": 1788622286, "skeleton": "WBZPXPDFGORCGN", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-25B]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········)cc1F", "total": 60.022, "axes": {"activity": 23.5, "binding": 15.38, "selectivity": 8.39, "admet": 4.66, "novelty": 4.73, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 6.01, "fraction": 0.783}, "binding": {"pIC50": 7.31, "LE": 0.385, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.546, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 0.515, "ld50-zhu": 0.668, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 6.010041547744378, "aff_pf": -1.306561549504598, "aff_hs": -0.2150108516216278, "repeats_pf": {"runs": 3, "values": [-1.3293, -1.2864, -1.304], "mean": -1.3066, "spread": 0.0428}, "repeats_hs": {"runs": 3, "values": [-0.3691, 0.035, -0.3109], "mean": -0.215, "spread": 0.4041}, "at": 1788622286}, "tier": 1, "alerts": [], "total_sd": 0.826, "total_ci95": [58.735, 61.944], "relegate_reason": [], "submitted_at": 1788617352, "scored_at": 1788622286, "rank": 918}, {"candidate_id": "ODC-62E134", "res_at": 1789619599, "skeleton": "MHQYGYOXIIAGRG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.993, "axes": {"activity": 19.45, "binding": 16.49, "selectivity": 10.75, "admet": 5.67, "novelty": 3.83, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.767, "fraction": 0.648}, "binding": {"pIC50": 7.47, "LE": 0.427, "potency_term": 0.824, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.2, "selectivity_term": 0.652, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.212, "ld50-zhu": 0.489, "herg": 0.322, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.767043117148152, "aff_pf": -1.4730224609375, "aff_hs": -0.16859186192353567, "repeats_pf": {"runs": 3, "values": [-1.2946, -1.4322, -1.6922], "mean": -1.473, "spread": 0.3976}, "repeats_hs": {"runs": 3, "values": [-0.3674, -0.0067, -0.1317], "mean": -0.1686, "spread": 0.3608}, "at": 1789619599}, "tier": 1, "alerts": [], "total_sd": 2.468, "total_ci95": [55.848, 65.18], "relegate_reason": [], "submitted_at": 1789618658, "scored_at": 1789619599, "rank": 919}, {"candidate_id": "ODC-A2B316", "res_at": 1788573095, "skeleton": "ZUZZSRYSAXGCEZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D11", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 59.97, "axes": {"activity": 16.46, "binding": 15.77, "selectivity": 15.12, "admet": 4.19, "novelty": 5.54, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.588, "fraction": 0.549}, "binding": {"pIC50": 7.44, "LE": 0.291, "potency_term": 0.812, "efficiency_cap": 0.97}, "selectivity": {"fold": 72.7, "selectivity_term": 0.931, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.668, "herg": 0.05, "dili": 0.295}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.587658961204963, "aff_pf": -1.4373186429341633, "aff_hs": 0.42408891518910724, "repeats_pf": {"runs": 3, "values": [-1.4593, -1.414, -1.4386], "mean": -1.4373, "spread": 0.0453}, "repeats_hs": {"runs": 3, "values": [0.3403, 0.4918, 0.4402], "mean": 0.4241, "spread": 0.1515}, "at": 1788573095}, "tier": 1, "alerts": [], "total_sd": 0.417, "total_ci95": [59.278, 60.833], "relegate_reason": [], "submitted_at": 1788555426, "scored_at": 1788573095, "rank": 920}, {"candidate_id": "ODC-1061CF", "res_at": 1786876736, "skeleton": "FRLXWJXPENMYHX", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.96, "axes": {"activity": 16.95, "binding": 17.9, "selectivity": 9.35, "admet": 7.44, "novelty": 4.47, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.617, "fraction": 0.565}, "binding": {"pIC50": 7.68, "LE": 0.458, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.522, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.591, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.411, "herg": 0.96, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.616767508722969, "aff_pf": -1.684787432352702, "aff_hs": -0.6404423713684082, "repeats_pf": {"runs": 3, "values": [-1.6766, -1.7077, -1.67], "mean": -1.6848, "spread": 0.0377}, "repeats_hs": {"runs": 3, "values": [-0.6899, -0.6567, -0.5747], "mean": -0.6404, "spread": 0.1152}, "at": 1786876736}, "tier": 1, "relegate_reason": [], "submitted_at": 1786868475, "scored_at": 1786876736, "alerts": [], "rank": 921}, {"candidate_id": "ODC-425B5C", "res_at": 1787646017, "skeleton": "RRDICGLVQYVSAT", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 59.956, "axes": {"activity": 27.08, "binding": 13.81, "selectivity": 2.17, "admet": 8.52, "novelty": 6.8, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 6.225, "fraction": 0.903}, "binding": {"pIC50": 7.07, "LE": 0.334, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.157, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.629, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.962, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.774, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 4.79}}, "run": {"gpu": "3", "pAct_q10": 6.225067763027128, "aff_pf": -1.0721320708592732, "aff_hs": -0.7577960888544718, "repeats_pf": {"runs": 3, "values": [-1.122, -1.0039, -1.0905], "mean": -1.0721, "spread": 0.1182}, "repeats_hs": {"runs": 3, "values": [-0.7911, -0.7155, -0.7668], "mean": -0.7578, "spread": 0.0757}, "at": 1787646017}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641334, "scored_at": 1787646017, "alerts": [], "rank": 922}, {"candidate_id": "ODC-47DA98", "res_at": 1786781989, "skeleton": "HEZGNXLFKJWZSW", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "GPT-5.6 Sol, Claude-Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 59.94, "axes": {"activity": 16.58, "binding": 16.33, "selectivity": 14.61, "admet": 5.66, "novelty": 3.29, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.595, "fraction": 0.553}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.7, "selectivity_term": 0.895, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.873, "ld50-zhu": 0.22, "herg": 0.637, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.594779830749003, "aff_pf": -1.4492393334706624, "aff_hs": 0.34088627497355145, "repeats_pf": {"runs": 3, "values": [-1.492, -1.418, -1.4377], "mean": -1.4492, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [0.2925, 0.4945, 0.2357], "mean": 0.3409, "spread": 0.2587}, "at": 1786781989}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779707, "scored_at": 1786781989, "alerts": [], "rank": 923}, {"candidate_id": "ODC-353048", "res_at": 1786898252, "skeleton": "ZMCQVZRYVFQEBV", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.939, "axes": {"activity": 15.19, "binding": 16.48, "selectivity": 15.71, "admet": 5.64, "novelty": 3.7, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.512, "fraction": 0.506}, "binding": {"pIC50": 7.47, "LE": 0.379, "potency_term": 0.824, "efficiency_cap": 1.0}, "selectivity": {"fold": 80.6, "selectivity_term": 0.953, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.258, "ld50-zhu": 0.814, "herg": 0.05, "dili": 0.196}}, "novelty": {"max_tanimoto": 0.551, "novelty": 0.449}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.511510276004333, "aff_pf": -1.472137411435445, "aff_hs": 0.43438835938771564, "repeats_pf": {"runs": 3, "values": [-1.5071, -1.4081, -1.5012], "mean": -1.4721, "spread": 0.099}, "repeats_hs": {"runs": 3, "values": [0.4246, 0.4995, 0.379], "mean": 0.4344, "spread": 0.1205}, "at": 1786898252}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884232, "scored_at": 1786898252, "alerts": [], "rank": 924}, {"candidate_id": "ODC-14EC14", "res_at": 1786867776, "skeleton": "QEMRUVCLJXHDKL", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1nc2··········)n2n1", "total": 59.93, "axes": {"activity": 11.09, "binding": 17.63, "selectivity": 16.4, "admet": 6.49, "novelty": 4.57, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 7.64, "LE": 0.499, "potency_term": 0.882, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.4, "selectivity_term": 0.93, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.916, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.533, "herg": 0.793, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.265473697384188, "aff_pf": -1.6448618570963542, "aff_hs": 0.2148243635892868, "repeats_pf": {"runs": 3, "values": [-1.5882, -1.6984, -1.648], "mean": -1.6449, "spread": 0.1102}, "repeats_hs": {"runs": 3, "values": [0.0958, 0.2627, 0.2859], "mean": 0.2148, "spread": 0.1901}, "at": 1786867776}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859141, "scored_at": 1786867776, "alerts": [], "rank": 925}, {"candidate_id": "ODC-7D6057", "res_at": 1789389303, "skeleton": "OUDRTGKWMFIUMN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 59.93, "axes": {"activity": 19.08, "binding": 17.87, "selectivity": 9.24, "admet": 4.76, "novelty": 5.33, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.745, "fraction": 0.636}, "binding": {"pIC50": 7.68, "LE": 0.421, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.988, "ld50-zhu": 0.484, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.744897213814483, "aff_pf": -1.6804486910502117, "aff_hs": -0.6461840669314066, "repeats_pf": {"runs": 3, "values": [-1.6207, -1.6918, -1.7289], "mean": -1.6804, "spread": 0.1082}, "repeats_hs": {"runs": 3, "values": [-0.7073, -0.6204, -0.6108], "mean": -0.6462, "spread": 0.0965}, "at": 1789389303}, "tier": 1, "alerts": [], "total_sd": 0.705, "total_ci95": [58.497, 61.372], "relegate_reason": [], "submitted_at": 1789389106, "scored_at": 1789389303, "rank": 926}, {"candidate_id": "ODC-5BBD23", "res_at": 1788574121, "skeleton": "JLNSHDOWXZHRBS", "hf_user": "1Dmeds", "display_name": "ODC26-S1D16", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 59.878, "axes": {"activity": 18.68, "binding": 16.51, "selectivity": 12.2, "admet": 3.47, "novelty": 5.9, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 7.63, "LE": 0.283, "potency_term": 0.877, "efficiency_cap": 0.942}, "selectivity": {"fold": 24.7, "selectivity_term": 0.696, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.413, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 5.720560310082618, "aff_pf": -1.6298325459162395, "aff_hs": -0.2377032736937205, "repeats_pf": {"runs": 3, "values": [-1.5939, -1.6564, -1.6392], "mean": -1.6298, "spread": 0.0626}, "repeats_hs": {"runs": 3, "values": [-0.1922, -0.2905, -0.2304], "mean": -0.2377, "spread": 0.0983}, "at": 1788574121}, "tier": 1, "alerts": [], "total_sd": 0.46, "total_ci95": [58.993, 60.758], "relegate_reason": [], "submitted_at": 1788555467, "scored_at": 1788574121, "rank": 927}, {"candidate_id": "ODC-3339B7", "res_at": 1789340166, "skeleton": "YPYOOURNKXDLRE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCOc1cc··········cc1Br", "total": 59.866, "axes": {"activity": 19.82, "binding": 17.42, "selectivity": 8.52, "admet": 5.0, "novelty": 5.46, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.789, "fraction": 0.661}, "binding": {"pIC50": 7.61, "LE": 0.417, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.5, "selectivity_term": 0.489, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.433, "herg": 0.315, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.789309627308173, "aff_pf": -1.6127432187398274, "aff_hs": -0.6339354515075684, "repeats_pf": {"runs": 3, "values": [-1.6778, -1.646, -1.5144], "mean": -1.6127, "spread": 0.1634}, "repeats_hs": {"runs": 3, "values": [-0.638, -0.6537, -0.6101], "mean": -0.6339, "spread": 0.0436}, "at": 1789340166}, "tier": 1, "alerts": [], "total_sd": 0.996, "total_ci95": [57.534, 61.443], "relegate_reason": [], "submitted_at": 1789330400, "scored_at": 1789340166, "rank": 928}, {"candidate_id": "ODC-1BC81C", "res_at": 1787522636, "skeleton": "GJLUTZDYBAHTPK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.845, "axes": {"activity": 17.93, "binding": 16.46, "selectivity": 12.65, "admet": 5.16, "novelty": 4.04, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.676, "fraction": 0.598}, "binding": {"pIC50": 7.47, "LE": 0.426, "potency_term": 0.823, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.5, "selectivity_term": 0.769, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.384, "herg": 0.677, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.676068641795549, "aff_pf": -1.468963384628296, "aff_hs": 0.06831962863604228, "repeats_pf": {"runs": 3, "values": [-1.4383, -1.5598, -1.4089], "mean": -1.469, "spread": 0.1509}, "repeats_hs": {"runs": 3, "values": [-0.1219, -0.1929, 0.5198], "mean": 0.0683, "spread": 0.7127}, "at": 1787522636}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520596, "scored_at": 1787522636, "alerts": [], "rank": 929}, {"candidate_id": "ODC-EB810E", "res_at": 1787249896, "skeleton": "RCADZSJHQSJTJR", "hf_user": "1Dmeds", "display_name": "ODC26-R15-25", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 59.84, "axes": {"activity": 19.3, "binding": 18.59, "selectivity": 6.01, "admet": 6.64, "novelty": 5.49, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.758, "fraction": 0.643}, "binding": {"pIC50": 7.79, "LE": 0.427, "potency_term": 0.93, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.93}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.446, "herg": 0.443, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.758033060247669, "aff_pf": -1.788657784461975, "aff_hs": -1.1418722073237102, "repeats_pf": {"runs": 3, "values": [-1.7493, -1.7655, -1.8512], "mean": -1.7887, "spread": 0.102}, "repeats_hs": {"runs": 3, "values": [-1.0133, -1.2068, -1.2055], "mean": -1.1419, "spread": 0.1934}, "at": 1787249896}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242171, "scored_at": 1787249896, "alerts": [], "rank": 930}, {"candidate_id": "ODC-F956D5", "res_at": 1788470062, "skeleton": "VYIWLYCYWOCXGJ", "hf_user": "Ku-ku", "display_name": "KK-M-0903-821", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CSC2", "total": 59.826, "axes": {"activity": 20.93, "binding": 16.11, "selectivity": 9.86, "admet": 4.1, "novelty": 5.93, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.856, "fraction": 0.698}, "binding": {"pIC50": 7.42, "LE": 0.391, "potency_term": 0.805, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.612, "target_engagement": 0.805}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.318, "ld50-zhu": 0.471, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 5.856015158029614, "aff_pf": -1.4160265525182087, "aff_hs": -0.1911239524682363, "repeats_pf": {"runs": 3, "values": [-1.4868, -1.3229, -1.4384], "mean": -1.416, "spread": 0.164}, "repeats_hs": {"runs": 3, "values": [-0.1501, 0.0103, -0.4335], "mean": -0.1911, "spread": 0.4438}, "at": 1788470062}, "tier": 1, "alerts": [], "total_sd": 1.212, "total_ci95": [57.498, 62.374], "relegate_reason": [], "submitted_at": 1788407820, "scored_at": 1788470062, "rank": 931}, {"candidate_id": "ODC-8049D3", "res_at": 1787557114, "skeleton": "FUGUJTKQTGQDGD", "hf_user": "takutoyo", "display_name": "PfD16-02", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 59.817, "axes": {"activity": 28.46, "binding": 10.32, "selectivity": 8.19, "admet": 3.56, "novelty": 6.29, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 6.308, "fraction": 0.949}, "binding": {"pIC50": 6.84, "LE": 0.253, "potency_term": 0.612, "efficiency_cap": 0.844}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.612}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.523, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.583, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "3", "pAct_q10": 6.307636430820126, "aff_pf": -0.835558553536733, "aff_hs": 0.5025913516680399, "repeats_pf": {"runs": 3, "values": [-0.8712, -0.8632, -0.7723], "mean": -0.8356, "spread": 0.0989}, "repeats_hs": {"runs": 3, "values": [0.3652, 0.6335, 0.5091], "mean": 0.5026, "spread": 0.2684}, "at": 1787557114}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544014, "scored_at": 1787557114, "alerts": [], "rank": 932}, {"candidate_id": "ODC-E35AFC", "res_at": 1787905193, "skeleton": "CADBQAYTMASGSU", "hf_user": "Bio-JS", "display_name": "A4 메타-F x 싸이에탄/메틸/설폰 (짝 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 59.811, "axes": {"activity": 19.8, "binding": 16.16, "selectivity": 11.9, "admet": 3.22, "novelty": 5.56, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.788, "fraction": 0.66}, "binding": {"pIC50": 7.59, "LE": 0.281, "potency_term": 0.863, "efficiency_cap": 0.937}, "selectivity": {"fold": 23.9, "selectivity_term": 0.69, "target_engagement": 0.863}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.348, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.787867658660212, "aff_pf": -1.5883864561716716, "aff_hs": -0.20914157728354135, "repeats_pf": {"runs": 3, "values": [-1.6898, -1.5484, -1.527], "mean": -1.5884, "spread": 0.1628}, "repeats_hs": {"runs": 3, "values": [-0.1887, -0.1796, -0.2591], "mean": -0.2091, "spread": 0.0794}, "at": 1787905193}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897079, "scored_at": 1787905193, "alerts": [], "rank": 933}, {"candidate_id": "ODC-977BC6", "res_at": 1787051075, "skeleton": "OKJDTGKZSXQGAF", "hf_user": "takutoyo", "display_name": "PfD6-A3", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.803, "axes": {"activity": 11.53, "binding": 18.05, "selectivity": 15.46, "admet": 6.66, "novelty": 4.27, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.292, "fraction": 0.384}, "binding": {"pIC50": 7.71, "LE": 0.48, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.7, "selectivity_term": 0.857, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.903, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.236, "ld50-zhu": 0.634, "herg": 0.637, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.291848982298103, "aff_pf": -1.7074833313624065, "aff_hs": 0.00588032603263855, "repeats_pf": {"runs": 3, "values": [-1.6965, -1.7024, -1.7236], "mean": -1.7075, "spread": 0.0271}, "repeats_hs": {"runs": 3, "values": [-0.0758, 0.081, 0.0125], "mean": 0.0059, "spread": 0.1569}, "at": 1787051075}, "tier": 1, "relegate_reason": [], "submitted_at": 1787046961, "scored_at": 1787051075, "alerts": [], "rank": 934}, {"candidate_id": "ODC-D07556", "res_at": 1787719803, "skeleton": "GEFSPIJMEMVKEW", "hf_user": "1Dmeds", "display_name": "ODC26-R2-13-SCCF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 59.799, "axes": {"activity": 17.91, "binding": 18.66, "selectivity": 8.45, "admet": 4.57, "novelty": 6.44, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.675, "fraction": 0.597}, "binding": {"pIC50": 7.8, "LE": 0.305, "potency_term": 0.933, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.453, "target_engagement": 0.933}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.428, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.779, "herg": 0.05, "dili": 0.358}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.674548399155829, "aff_pf": -1.799666206041972, "aff_hs": -0.8941043615341187, "repeats_pf": {"runs": 3, "values": [-1.7858, -1.857, -1.7563], "mean": -1.7997, "spread": 0.1007}, "repeats_hs": {"runs": 3, "values": [-0.7501, -0.9474, -0.9848], "mean": -0.8941, "spread": 0.2346}, "at": 1787719803}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717416, "scored_at": 1787719803, "alerts": [], "rank": 935}, {"candidate_id": "ODC-DA5959", "res_at": 1789379203, "skeleton": "BIIPMJDMCVVCAM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 59.774, "axes": {"activity": 12.96, "binding": 16.43, "selectivity": 16.43, "admet": 5.2, "novelty": 5.32, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 7.46, "LE": 0.393, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 111.7, "selectivity_term": 1.0, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.573, "cyp2c9-veith": 0.542, "cyp3a4-substrate-carbonmangels": 0.303, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.377890967043466, "aff_pf": -1.4648188352584839, "aff_hs": 0.5831696192423502, "repeats_pf": {"runs": 3, "values": [-1.4668, -1.413, -1.5146], "mean": -1.4648, "spread": 0.1016}, "repeats_hs": {"runs": 3, "values": [0.5826, 0.6077, 0.5592], "mean": 0.5832, "spread": 0.0485}, "at": 1789379203}, "tier": 1, "alerts": [], "total_sd": 0.46, "total_ci95": [59.114, 60.72], "relegate_reason": [], "submitted_at": 1789365569, "scored_at": 1789379203, "rank": 936}, {"candidate_id": "ODC-CAC326", "res_at": 1789202854, "skeleton": "GLOJOROEPVDEGD", "hf_user": "Bio-JS", "display_name": "0912-S1-anil_CHF2_Me", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.769, "axes": {"activity": 13.64, "binding": 18.61, "selectivity": 13.52, "admet": 5.83, "novelty": 4.06, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.455}, "binding": {"pIC50": 7.79, "LE": 0.464, "potency_term": 0.93, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.4, "selectivity_term": 0.726, "target_engagement": 0.93}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.446, "herg": 0.519, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.418386236145057, "aff_pf": -1.7911558945973713, "aff_hs": -0.33817707498868305, "repeats_pf": {"runs": 3, "values": [-1.7792, -1.7893, -1.805], "mean": -1.7912, "spread": 0.0258}, "repeats_hs": {"runs": 3, "values": [-0.3795, -0.3112, -0.3239], "mean": -0.3382, "spread": 0.0683}, "at": 1789202854}, "tier": 1, "alerts": [], "total_sd": 0.215, "total_ci95": [59.336, 60.164], "relegate_reason": [], "submitted_at": 1789177511, "scored_at": 1789202854, "rank": 937}, {"candidate_id": "ODC-CF099F", "res_at": 1786914497, "skeleton": "MTRWADFHSBJCLE", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-9th", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.746, "axes": {"activity": 15.83, "binding": 15.2, "selectivity": 15.2, "admet": 6.22, "novelty": 4.19, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.55, "fraction": 0.528}, "binding": {"pIC50": 7.28, "LE": 0.434, "potency_term": 0.76, "efficiency_cap": 1.0}, "selectivity": {"fold": 129.1, "selectivity_term": 1.0, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.354, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.559, "herg": 0.908, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.549767036219693, "aff_pf": -1.2797324657440186, "aff_hs": 0.8311345378557841, "repeats_pf": {"runs": 3, "values": [-1.3042, -1.2726, -1.2624], "mean": -1.2797, "spread": 0.0418}, "repeats_hs": {"runs": 3, "values": [0.8246, 0.8287, 0.84], "mean": 0.8311, "spread": 0.0154}, "at": 1786914497}, "tier": 1, "relegate_reason": [], "submitted_at": 1786914122, "scored_at": 1786914497, "alerts": [], "rank": 938}, {"candidate_id": "ODC-24391E", "res_at": 1786924617, "skeleton": "PLAUZWIAQQYDQE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 59.741, "axes": {"activity": 21.48, "binding": 12.74, "selectivity": 12.74, "admet": 5.37, "novelty": 4.36, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.889, "fraction": 0.716}, "binding": {"pIC50": 6.91, "LE": 0.395, "potency_term": 0.637, "efficiency_cap": 1.0}, "selectivity": {"fold": 114.0, "selectivity_term": 1.0, "target_engagement": 0.637}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.284, "herg": 0.875, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.8885358500446525, "aff_pf": -0.9115962187449137, "aff_hs": 1.1451516151428223, "repeats_pf": {"runs": 3, "values": [-0.9315, -0.9697, -0.8336], "mean": -0.9116, "spread": 0.136}, "repeats_hs": {"runs": 3, "values": [1.1327, 1.0708, 1.232], "mean": 1.1452, "spread": 0.1612}, "at": 1786924617}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922434, "scored_at": 1786924617, "alerts": [], "rank": 939}, {"candidate_id": "ODC-859C6A", "res_at": 1789083332, "skeleton": "AXZXCUDKLHJGTC", "hf_user": "trblnfxn", "display_name": "NC-ANIL-04_3Cl4CF3", "model_name": "Hermes-AnilineScan-v4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.703, "axes": {"activity": 14.83, "binding": 18.69, "selectivity": 10.21, "admet": 6.74, "novelty": 4.83, "synthesis": 4.4}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.494}, "binding": {"pIC50": 7.8, "LE": 0.465, "potency_term": 0.934, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.802, "cyp2c9-veith": 0.442, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.528, "herg": 0.463, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "0", "pAct_q10": 5.489797419498241, "aff_pf": -1.8028563658396404, "aff_hs": -0.7097440163294474, "repeats_pf": {"runs": 3, "values": [-1.7886, -1.8294, -1.7906], "mean": -1.8029, "spread": 0.0407}, "repeats_hs": {"runs": 3, "values": [-0.7646, -0.7081, -0.6565], "mean": -0.7097, "spread": 0.1081}, "at": 1789083332}, "tier": 1, "alerts": [], "total_sd": 0.384, "total_ci95": [59.024, 60.541], "relegate_reason": [], "submitted_at": 1789053693, "scored_at": 1789083332, "rank": 940}, {"candidate_id": "ODC-632820", "res_at": 1787725230, "skeleton": "CHLJQKBQXWNVAI", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R8", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 59.692, "axes": {"activity": 24.76, "binding": 13.85, "selectivity": 7.49, "admet": 4.79, "novelty": 5.46, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 6.085, "fraction": 0.825}, "binding": {"pIC50": 7.08, "LE": 0.359, "potency_term": 0.693, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.968, "ld50-zhu": 0.432, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.085303176878561, "aff_pf": -1.0777678489685059, "aff_hs": 0.003204574187596639, "repeats_pf": {"runs": 3, "values": [-1.0722, -1.09, -1.0711], "mean": -1.0778, "spread": 0.019}, "repeats_hs": {"runs": 3, "values": [0.2234, -0.0089, -0.2049], "mean": 0.0032, "spread": 0.4283}, "at": 1787725230}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719823, "scored_at": 1787725230, "alerts": [], "rank": 941}, {"candidate_id": "ODC-6951B5", "res_at": 1788869465, "skeleton": "WUWDNRKSDNNDQG", "hf_user": "Ku-ku", "display_name": "KK-M-0908-526", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1nc(N··········1CCC2", "total": 59.677, "axes": {"activity": 23.54, "binding": 14.33, "selectivity": 7.87, "admet": 5.21, "novelty": 5.88, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.012, "fraction": 0.785}, "binding": {"pIC50": 7.15, "LE": 0.377, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.5, "selectivity_term": 0.549, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.515, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.592, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "0", "pAct_q10": 6.012222495785555, "aff_pf": -1.1495321194330852, "aff_hs": -0.051526481906572975, "repeats_pf": {"runs": 3, "values": [-1.2224, -1.0812, -1.145], "mean": -1.1495, "spread": 0.1412}, "repeats_hs": {"runs": 3, "values": [-0.2635, 0.0682, 0.0408], "mean": -0.0515, "spread": 0.3317}, "at": 1788869465}, "tier": 1, "alerts": [], "total_sd": 0.889, "total_ci95": [58.082, 61.251], "relegate_reason": [], "submitted_at": 1788861871, "scored_at": 1788869465, "rank": 942}, {"candidate_id": "ODC-DEB47C", "res_at": 1787524591, "skeleton": "LCRKHKAEVRETAB", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 59.662, "axes": {"activity": 22.99, "binding": 12.63, "selectivity": 10.74, "admet": 5.42, "novelty": 4.74, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.979, "fraction": 0.766}, "binding": {"pIC50": 6.89, "LE": 0.378, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.2, "selectivity_term": 0.85, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.844, "ld50-zhu": 0.451, "herg": 0.258, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.979374913930473, "aff_pf": -0.8947756489117941, "aff_hs": 0.8061113357543945, "repeats_pf": {"runs": 3, "values": [-0.9746, -0.9018, -0.8079], "mean": -0.8948, "spread": 0.1667}, "repeats_hs": {"runs": 3, "values": [0.8822, 0.8599, 0.6762], "mean": 0.8061, "spread": 0.2061}, "at": 1787524591}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520642, "scored_at": 1787524591, "alerts": [], "rank": 943}, {"candidate_id": "ODC-4A7796", "res_at": 1787176352, "skeleton": "UDXUBPCYLRYBJM", "hf_user": "1Dmeds", "display_name": "ODC26-FN-25", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 59.647, "axes": {"activity": 18.69, "binding": 17.75, "selectivity": 7.23, "admet": 6.49, "novelty": 5.63, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 7.66, "LE": 0.437, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.712, "ld50-zhu": 0.334, "herg": 0.586, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.721284184204065, "aff_pf": -1.662096381187439, "aff_hs": -0.8477851152420044, "repeats_pf": {"runs": 3, "values": [-1.6658, -1.6929, -1.6276], "mean": -1.6621, "spread": 0.0653}, "repeats_hs": {"runs": 3, "values": [-0.9355, -0.7725, -0.8354], "mean": -0.8478, "spread": 0.1629}, "at": 1787176352}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171829, "scored_at": 1787176352, "alerts": [], "rank": 944}, {"candidate_id": "ODC-A25D3A", "res_at": 1788597491, "skeleton": "SZZIERSLRRXAQP", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.632, "axes": {"activity": 17.13, "binding": 17.32, "selectivity": 11.72, "admet": 4.86, "novelty": 4.89, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.6, "LE": 0.416, "potency_term": 0.866, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.5, "selectivity_term": 0.677, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.112, "ld50-zhu": 0.414, "herg": 0.485, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.628076763973219, "aff_pf": -1.5978883107503254, "aff_hs": -0.2447709689537684, "repeats_pf": {"runs": 3, "values": [-1.6113, -1.5874, -1.5949], "mean": -1.5979, "spread": 0.0239}, "repeats_hs": {"runs": 3, "values": [-0.1164, -0.6506, 0.0327], "mean": -0.2448, "spread": 0.6833}, "at": 1788597491}, "tier": 1, "alerts": [], "total_sd": 1.431, "total_ci95": [57.406, 62.035], "relegate_reason": [], "submitted_at": 1788583644, "scored_at": 1788597491, "rank": 945}, {"candidate_id": "ODC-84F837", "res_at": 1787023194, "skeleton": "SLJQFVCOOQAQFI", "hf_user": "takutoyo", "display_name": "PfD5-A2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 59.617, "axes": {"activity": 17.28, "binding": 16.94, "selectivity": 10.25, "admet": 6.4, "novelty": 5.11, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.847, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.322, "cyp3a4-substrate-carbonmangels": 0.358, "ld50-zhu": 0.406, "herg": 0.709, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 5.636932951433165, "aff_pf": -1.5405208667119343, "aff_hs": -0.3300984700520833, "repeats_pf": {"runs": 3, "values": [-1.5312, -1.5849, -1.5055], "mean": -1.5405, "spread": 0.0795}, "repeats_hs": {"runs": 3, "values": [-0.28, -0.1555, -0.5548], "mean": -0.3301, "spread": 0.3993}, "at": 1787023194}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023007, "scored_at": 1787023194, "alerts": [], "rank": 946}, {"candidate_id": "ODC-B3F03D", "res_at": 1788518868, "skeleton": "PQPKQPZPAYOCBP", "hf_user": "Bio-JS", "display_name": "0904-S1 P0/thietaneCC/spiroSO", "model_name": "Bio-JS", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 59.59, "axes": {"activity": 15.19, "binding": 16.0, "selectivity": 17.13, "admet": 3.5, "novelty": 5.53, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.511, "fraction": 0.506}, "binding": {"pIC50": 7.57, "LE": 0.28, "potency_term": 0.856, "efficiency_cap": 0.934}, "selectivity": {"fold": 116.9, "selectivity_term": 1.0, "target_engagement": 0.856}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.41, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.518, "herg": 0.05, "dili": 0.426}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 4.04}}, "run": {"gpu": "0", "pAct_q10": 5.511306380555256, "aff_pf": -1.5689771970113118, "aff_hs": 0.49892312784989673, "repeats_pf": {"runs": 3, "values": [-1.7284, -1.5033, -1.4753], "mean": -1.569, "spread": 0.2531}, "repeats_hs": {"runs": 3, "values": [0.109, 0.7846, 0.6031], "mean": 0.4989, "spread": 0.6756}, "at": 1788518868}, "tier": 1, "alerts": [], "total_sd": 1.838, "total_ci95": [55.837, 62.956], "relegate_reason": [], "submitted_at": 1788487991, "scored_at": 1788518868, "rank": 947}, {"candidate_id": "ODC-BC1875", "res_at": 1787389374, "skeleton": "RIEAQORXODLXGX", "hf_user": "Ku-ku", "display_name": "V8_triazole_to_imid", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.582, "axes": {"activity": 12.2, "binding": 16.96, "selectivity": 16.11, "admet": 6.19, "novelty": 4.54, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.407}, "binding": {"pIC50": 7.54, "LE": 0.47, "potency_term": 0.848, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.5, "selectivity_term": 0.95, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.514, "ld50-zhu": 0.336, "herg": 0.7, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.3320785658253484, "aff_pf": -1.5435377359390259, "aff_hs": 0.35671040415763855, "repeats_pf": {"runs": 3, "values": [-1.5321, -1.3826, -1.7159], "mean": -1.5435, "spread": 0.3333}, "repeats_hs": {"runs": 3, "values": [0.4863, 0.2232, 0.3607], "mean": 0.3567, "spread": 0.2631}, "at": 1787389374}, "tier": 1, "relegate_reason": [], "submitted_at": 1787388034, "scored_at": 1787389374, "alerts": [], "rank": 948}, {"candidate_id": "ODC-02851E", "res_at": 1787336362, "skeleton": "BBCCPFHVZVFEQE", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "CC(F)(F)c1nc2nc(Cl)cc(Nc3ccc(C(C)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 59.577, "axes": {"activity": 15.72, "binding": 17.55, "selectivity": 13.21, "admet": 5.83, "novelty": 3.63, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 7.63, "LE": 0.402, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.0, "selectivity_term": 0.752, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.336, "cyp3a4-substrate-carbonmangels": 0.589, "ld50-zhu": 0.351, "herg": 0.227, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.543278865611019, "aff_pf": -1.6331281661987305, "aff_hs": -0.12834755579630533, "repeats_pf": {"runs": 3, "values": [-1.5249, -1.6785, -1.696], "mean": -1.6331, "spread": 0.171}, "repeats_hs": {"runs": 3, "values": [-0.1476, -0.115, -0.1224], "mean": -0.1283, "spread": 0.0325}, "at": 1787336362}, "tier": 1, "relegate_reason": [], "submitted_at": 1787336154, "scored_at": 1787336362, "alerts": [], "rank": 949}, {"candidate_id": "ODC-3244E1", "res_at": 1787737976, "skeleton": "FHBSDCBEOFJSLF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc1F", "total": 59.569, "axes": {"activity": 21.88, "binding": 14.2, "selectivity": 10.2, "admet": 5.87, "novelty": 4.28, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.913, "fraction": 0.729}, "binding": {"pIC50": 7.13, "LE": 0.407, "potency_term": 0.71, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.71}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.698, "cyp3a4-substrate-carbonmangels": 0.382, "ld50-zhu": 0.374, "herg": 0.916, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.9129382085477, "aff_pf": -1.130729873975118, "aff_hs": 0.30541515350341797, "repeats_pf": {"runs": 3, "values": [-1.1587, -1.1107, -1.1228], "mean": -1.1307, "spread": 0.048}, "repeats_hs": {"runs": 3, "values": [0.2162, 0.3034, 0.3967], "mean": 0.3054, "spread": 0.1805}, "at": 1787737976}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736105, "scored_at": 1787737976, "alerts": [], "rank": 950}, {"candidate_id": "ODC-7AC297", "res_at": 1789437273, "skeleton": "OVHBXHIIIXMLPX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 59.552, "axes": {"activity": 11.53, "binding": 17.25, "selectivity": 15.78, "admet": 5.95, "novelty": 5.62, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.292, "fraction": 0.384}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.862, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.7, "selectivity_term": 0.915, "target_engagement": 0.862}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.625, "cyp2c9-veith": 0.454, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.291500037281744, "aff_pf": -1.5870258808135986, "aff_hs": 0.24324417114257812, "repeats_pf": {"runs": 3, "values": [-1.5709, -1.4391, -1.7511], "mean": -1.587, "spread": 0.312}, "repeats_hs": {"runs": 3, "values": [0.2269, 0.1643, 0.3386], "mean": 0.2432, "spread": 0.1744}, "at": 1789437273}, "tier": 1, "alerts": [], "total_sd": 1.979, "total_ci95": [56.108, 63.912], "relegate_reason": [], "submitted_at": 1789435360, "scored_at": 1789437273, "rank": 951}, {"candidate_id": "ODC-3DD5E1", "res_at": 1786909687, "skeleton": "HARCAYFXWUKVLP", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 59.551, "axes": {"activity": 22.08, "binding": 13.14, "selectivity": 11.38, "admet": 5.08, "novelty": 4.64, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.925, "fraction": 0.736}, "binding": {"pIC50": 6.97, "LE": 0.398, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.0, "selectivity_term": 0.866, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.913, "ld50-zhu": 0.326, "herg": 0.529, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.924827739918769, "aff_pf": -0.970653772354126, "aff_hs": 0.7617534796396891, "repeats_pf": {"runs": 3, "values": [-0.9536, -0.9623, -0.9961], "mean": -0.9707, "spread": 0.0425}, "repeats_hs": {"runs": 3, "values": [0.7206, 0.7714, 0.7933], "mean": 0.7618, "spread": 0.0727}, "at": 1786909687}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899520, "scored_at": 1786909687, "alerts": [], "rank": 952}, {"candidate_id": "ODC-5B3E43", "res_at": 1787048302, "skeleton": "AEHGJLVBDPTBLF", "hf_user": "ghost613", "display_name": "MAL-G3-05 SMe/5-F/3-Me-4-CF3", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.546, "axes": {"activity": 16.95, "binding": 18.14, "selectivity": 8.99, "admet": 7.07, "novelty": 4.37, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 5.617, "fraction": 0.565}, "binding": {"pIC50": 7.72, "LE": 0.441, "potency_term": 0.907, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.907}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.316, "ld50-zhu": 0.552, "herg": 0.578, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.616963914439752, "aff_pf": -1.7203312317530315, "aff_hs": -0.7290716568628947, "repeats_pf": {"runs": 3, "values": [-1.7333, -1.7099, -1.7179], "mean": -1.7203, "spread": 0.0234}, "repeats_hs": {"runs": 3, "values": [-0.7848, -0.8061, -0.5963], "mean": -0.7291, "spread": 0.2098}, "at": 1787048302}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043747, "scored_at": 1787048302, "alerts": [], "rank": 953}, {"candidate_id": "ODC-1454F2", "res_at": 1788469502, "skeleton": "QDKIRARSIZGTQS", "hf_user": "Ku-ku", "display_name": "KK-M-0903-785", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCO2", "total": 59.54, "axes": {"activity": 17.53, "binding": 17.3, "selectivity": 9.84, "admet": 5.16, "novelty": 6.4, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.652, "fraction": 0.584}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.452, "herg": 0.211, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.651746366433417, "aff_pf": -1.5946415265401204, "aff_hs": -0.4574315547943115, "repeats_pf": {"runs": 3, "values": [-1.5702, -1.6237, -1.59], "mean": -1.5946, "spread": 0.0535}, "repeats_hs": {"runs": 3, "values": [-0.142, -0.6329, -0.5974], "mean": -0.4574, "spread": 0.4909}, "at": 1788469502}, "tier": 1, "alerts": [], "total_sd": 1.146, "total_ci95": [57.794, 61.978], "relegate_reason": [], "submitted_at": 1788407815, "scored_at": 1788469502, "rank": 954}, {"candidate_id": "ODC-5547D9", "res_at": 1787050814, "skeleton": "QDQPDMVFATURTN", "hf_user": "takutoyo", "display_name": "PfD6-A1", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.537, "axes": {"activity": 14.11, "binding": 16.26, "selectivity": 16.26, "admet": 5.37, "novelty": 4.07, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.446, "fraction": 0.47}, "binding": {"pIC50": 7.44, "LE": 0.463, "potency_term": 0.813, "efficiency_cap": 1.0}, "selectivity": {"fold": 128.3, "selectivity_term": 1.0, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.492, "ld50-zhu": 0.395, "herg": 0.51, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.4464676400036, "aff_pf": -1.439354379971822, "aff_hs": 0.6688500642776489, "repeats_pf": {"runs": 3, "values": [-1.4102, -1.4513, -1.4565], "mean": -1.4394, "spread": 0.0463}, "repeats_hs": {"runs": 3, "values": [0.8118, 0.4963, 0.6984], "mean": 0.6689, "spread": 0.3155}, "at": 1787050814}, "tier": 1, "relegate_reason": [], "submitted_at": 1787046936, "scored_at": 1787050814, "alerts": [], "rank": 955}, {"candidate_id": "ODC-6911B3", "res_at": 1787657198, "skeleton": "MDVBFJRLGLWLJT", "hf_user": "Ku-ku", "display_name": "KK-M-0825-02", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=CNc1c··········nc2n1", "total": 59.531, "axes": {"activity": 23.33, "binding": 14.09, "selectivity": 9.12, "admet": 4.61, "novelty": 5.33, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 6.0, "fraction": 0.778}, "binding": {"pIC50": 7.11, "LE": 0.361, "potency_term": 0.704, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.647, "target_engagement": 0.704}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.501, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.368, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.999554604387801, "aff_pf": -1.1128464341163635, "aff_hs": 0.18175160388151804, "repeats_pf": {"runs": 3, "values": [-1.161, -0.9902, -1.1873], "mean": -1.1128, "spread": 0.1972}, "repeats_hs": {"runs": 3, "values": [0.2857, 0.1085, 0.1511], "mean": 0.1818, "spread": 0.1772}, "at": 1787657198}, "tier": 1, "relegate_reason": [], "submitted_at": 1787656818, "scored_at": 1787657198, "alerts": [], "rank": 956}, {"candidate_id": "ODC-E104DE", "res_at": 1786774694, "skeleton": "CDUCZRAEVWMODA", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 59.53, "axes": {"activity": 15.59, "binding": 16.71, "selectivity": 14.39, "admet": 5.62, "novelty": 3.54, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 7.51, "LE": 0.447, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.8, "selectivity_term": 0.862, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.37, "ld50-zhu": 0.333, "herg": 0.729, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.535441006174427, "aff_pf": -1.5061252117156982, "aff_hs": 0.21688665449619293, "at": 1786774694}, "tier": 1, "relegate_reason": [], "submitted_at": 1786774536, "scored_at": 1786774694, "alerts": [], "rank": 957}, {"candidate_id": "ODC-CC6290", "res_at": 1788577215, "skeleton": "LVWXPURNFBIDMI", "hf_user": "1Dmeds", "display_name": "ODC26-S1D23", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 59.521, "axes": {"activity": 17.8, "binding": 16.19, "selectivity": 13.43, "admet": 3.45, "novelty": 5.75, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.668, "fraction": 0.593}, "binding": {"pIC50": 7.64, "LE": 0.276, "potency_term": 0.881, "efficiency_cap": 0.919}, "selectivity": {"fold": 33.4, "selectivity_term": 0.762, "target_engagement": 0.881}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.588, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 5.667913981618856, "aff_pf": -1.643841028213501, "aff_hs": -0.11983003218968709, "repeats_pf": {"runs": 3, "values": [-1.4945, -1.7755, -1.6615], "mean": -1.6438, "spread": 0.281}, "repeats_hs": {"runs": 3, "values": [0.0751, -0.1828, -0.2518], "mean": -0.1198, "spread": 0.3269}, "at": 1788577215}, "tier": 1, "alerts": [], "total_sd": 2.056, "total_ci95": [55.986, 63.329], "relegate_reason": [], "submitted_at": 1788555511, "scored_at": 1788577215, "rank": 958}, {"candidate_id": "ODC-4BB388", "res_at": 1786901591, "skeleton": "FCFUBHUYVYSUCU", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 59.512, "axes": {"activity": 14.77, "binding": 16.05, "selectivity": 15.56, "admet": 5.03, "novelty": 4.55, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 7.41, "LE": 0.461, "potency_term": 0.803, "efficiency_cap": 1.0}, "selectivity": {"fold": 86.8, "selectivity_term": 0.969, "target_engagement": 0.803}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 0.166, "ld50-zhu": 0.494, "herg": 0.268, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.485997055781407, "aff_pf": -1.4079797267913818, "aff_hs": 0.5304854512214661, "repeats_pf": {"runs": 3, "values": [-1.4011, -1.4123, -1.4106], "mean": -1.408, "spread": 0.0112}, "repeats_hs": {"runs": 3, "values": [0.5102, 0.5865, 0.4947], "mean": 0.5305, "spread": 0.0918}, "at": 1786901591}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899334, "scored_at": 1786901591, "alerts": [], "rank": 959}, {"candidate_id": "ODC-D132FD", "res_at": 1786906383, "skeleton": "RSGXZJQXCUEHCX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········)c1Br", "total": 59.511, "axes": {"activity": 11.33, "binding": 19.67, "selectivity": 13.43, "admet": 5.54, "novelty": 5.41, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 7.95, "LE": 0.474, "potency_term": 0.984, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.2, "selectivity_term": 0.683, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.512, "herg": 0.093, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.279988935113992, "aff_pf": -1.9512447913487752, "aff_hs": -0.5857310891151428, "repeats_pf": {"runs": 3, "values": [-1.9946, -1.9317, -1.9273], "mean": -1.9512, "spread": 0.0673}, "repeats_hs": {"runs": 3, "values": [-0.5503, -0.614, -0.5929], "mean": -0.5857, "spread": 0.0637}, "at": 1786906383}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892671, "scored_at": 1786906383, "alerts": [], "rank": 960}, {"candidate_id": "ODC-5A6C92", "res_at": 1789621041, "skeleton": "HSTIGLIOCHXNHP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.503, "axes": {"activity": 19.79, "binding": 17.52, "selectivity": 8.72, "admet": 5.3, "novelty": 4.6, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.787, "fraction": 0.66}, "binding": {"pIC50": 7.63, "LE": 0.402, "potency_term": 0.876, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.288, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.787148296799041, "aff_pf": -1.6279524962107341, "aff_hs": -0.6326137781143188, "repeats_pf": {"runs": 3, "values": [-1.5396, -1.5742, -1.7701], "mean": -1.628, "spread": 0.2305}, "repeats_hs": {"runs": 3, "values": [-0.5533, -0.6927, -0.6519], "mean": -0.6326, "spread": 0.1394}, "at": 1789621041}, "tier": 1, "alerts": [], "total_sd": 1.432, "total_ci95": [57.304, 62.838], "relegate_reason": [], "submitted_at": 1789618901, "scored_at": 1789621041, "rank": 961}, {"candidate_id": "ODC-6BD9B6", "res_at": 1787208553, "skeleton": "LHYKCARPARHFHG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)CC1", "total": 59.482, "axes": {"activity": 30.0, "binding": 9.22, "selectivity": 4.16, "admet": 4.44, "novelty": 7.52, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 6.654, "fraction": 1.0}, "binding": {"pIC50": 6.61, "LE": 0.259, "potency_term": 0.535, "efficiency_cap": 0.862}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.535}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 0.772, "pgp-broccatelli": 0.105, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.706, "herg": 0.05, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.248, "novelty": 0.752}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.653928963777228, "aff_pf": -0.6054242054621378, "aff_hs": 0.17173088590304056, "repeats_pf": {"runs": 3, "values": [-0.4682, -0.7373, -0.6108], "mean": -0.6054, "spread": 0.2692}, "repeats_hs": {"runs": 3, "values": [0.2877, 0.0678, 0.1597], "mean": 0.1717, "spread": 0.22}, "at": 1787208553}, "tier": 1, "relegate_reason": [], "submitted_at": 1787205323, "scored_at": 1787208553, "alerts": [], "rank": 962}, {"candidate_id": "ODC-BBD2E0", "res_at": 1787243248, "skeleton": "GOBRWQMYMYCFIT", "hf_user": "Ku-ku", "display_name": "N12_5Br_ethynylAn", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········3)cc1", "total": 59.475, "axes": {"activity": 22.34, "binding": 15.13, "selectivity": 9.05, "admet": 5.22, "novelty": 4.59, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.941, "fraction": 0.745}, "binding": {"pIC50": 7.27, "LE": 0.433, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.481, "herg": 0.61, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.940654769321307, "aff_pf": -1.2692166169484456, "aff_hs": -0.07266650100549062, "repeats_pf": {"runs": 3, "values": [-1.2915, -1.2458, -1.2703], "mean": -1.2692, "spread": 0.0457}, "repeats_hs": {"runs": 3, "values": [0.0163, 0.1313, -0.3656], "mean": -0.0727, "spread": 0.497}, "at": 1787243248}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238160, "scored_at": 1787243248, "alerts": [], "rank": 963}, {"candidate_id": "ODC-B0989A", "res_at": 1788233276, "skeleton": "UPJJMJXVQNZSMG", "hf_user": "Ku-ku", "display_name": "KK-M-0831-021", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 59.466, "axes": {"activity": 13.24, "binding": 17.2, "selectivity": 12.0, "admet": 9.12, "novelty": 4.59, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.395, "fraction": 0.441}, "binding": {"pIC50": 7.58, "LE": 0.452, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.707, "per_endpoint": {"solubility-aqsoldb": 0.858, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.83, "cyp3a4-substrate-carbonmangels": 0.655, "ld50-zhu": 0.464, "herg": 0.141, "dili": 0.847}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.39451859844751, "aff_pf": -1.5801564455032349, "aff_hs": -0.18521026770273843, "repeats_pf": {"runs": 3, "values": [-1.5405, -1.6358, -1.5641], "mean": -1.5802, "spread": 0.0953}, "repeats_hs": {"runs": 3, "values": [-0.1951, -0.2668, -0.0938], "mean": -0.1852, "spread": 0.173}, "at": 1788233276}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.704, "total_ci95": [58.34, 60.952], "relegate_reason": [], "submitted_at": 1788186899, "scored_at": 1788233276, "rank": 964}, {"candidate_id": "ODC-69ED2A", "res_at": 1787223982, "skeleton": "WAWJFYGFCZWLJC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 59.457, "axes": {"activity": 22.39, "binding": 12.49, "selectivity": 11.14, "admet": 5.65, "novelty": 4.53, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.943, "fraction": 0.746}, "binding": {"pIC50": 6.87, "LE": 0.409, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.9, "selectivity_term": 0.892, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.455, "herg": 0.92, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.943237111600834, "aff_pf": -0.8733384410540262, "aff_hs": 0.9109357794125875, "repeats_pf": {"runs": 3, "values": [-0.8616, -0.8537, -0.9047], "mean": -0.8733, "spread": 0.0509}, "repeats_hs": {"runs": 3, "values": [0.9443, 1.1028, 0.6857], "mean": 0.9109, "spread": 0.4171}, "at": 1787223982}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220798, "scored_at": 1787223982, "alerts": [], "rank": 965}, {"candidate_id": "ODC-EA6E24", "res_at": 1787707291, "skeleton": "PBNWFDYXUXIJRP", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 59.449, "axes": {"activity": 30.0, "binding": 8.72, "selectivity": 4.19, "admet": 7.58, "novelty": 7.47, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 6.555, "fraction": 1.0}, "binding": {"pIC50": 6.43, "LE": 0.275, "potency_term": 0.475, "efficiency_cap": 0.917}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.475}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 0.806, "pgp-broccatelli": 0.717, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.813, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 4.96}}, "run": {"gpu": "3", "pAct_q10": 6.555233666324245, "aff_pf": -0.4264404277006785, "aff_hs": 0.45527159174283344, "repeats_pf": {"runs": 3, "values": [-0.5166, -0.3126, -0.4502], "mean": -0.4264, "spread": 0.204}, "repeats_hs": {"runs": 3, "values": [0.4206, 0.5484, 0.3969], "mean": 0.4553, "spread": 0.1515}, "at": 1787707291}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705705, "scored_at": 1787707291, "alerts": [], "rank": 966}, {"candidate_id": "ODC-FE7E8F", "res_at": 1788592262, "skeleton": "HKYOSOZWKRUFNC", "hf_user": "Bio-JS", "display_name": "0905-S1-14 SMe/F/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.435, "axes": {"activity": 15.06, "binding": 19.09, "selectivity": 9.13, "admet": 7.38, "novelty": 4.42, "synthesis": 4.36}, "detail": {"activity": {"pAct_q10": 5.504, "fraction": 0.502}, "binding": {"pIC50": 7.86, "LE": 0.513, "potency_term": 0.954, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.287, "ld50-zhu": 0.477, "herg": 0.818, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.5038162689334635, "aff_pf": -1.8627720673878987, "aff_hs": -0.9057305653889974, "repeats_pf": {"runs": 3, "values": [-1.8404, -1.841, -1.9069], "mean": -1.8628, "spread": 0.0664}, "repeats_hs": {"runs": 3, "values": [-0.7753, -0.8742, -1.0677], "mean": -0.9057, "spread": 0.2925}, "at": 1788592262}, "tier": 1, "alerts": [], "total_sd": 0.807, "total_ci95": [57.958, 60.929], "relegate_reason": [], "submitted_at": 1788560169, "scored_at": 1788592262, "rank": 967}, {"candidate_id": "ODC-E27730", "res_at": 1786904508, "skeleton": "MXMQWGGXWNXHQC", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········(F)Cl", "total": 59.425, "axes": {"activity": 22.69, "binding": 15.34, "selectivity": 9.55, "admet": 4.05, "novelty": 4.67, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.962, "fraction": 0.756}, "binding": {"pIC50": 7.3, "LE": 0.385, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.623, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 0.869, "ld50-zhu": 0.483, "herg": 0.187, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.96154602635477, "aff_pf": -1.301210602124532, "aff_hs": -0.055868178606033325, "repeats_pf": {"runs": 3, "values": [-1.3358, -1.2301, -1.3378], "mean": -1.3012, "spread": 0.1076}, "repeats_hs": {"runs": 3, "values": [-0.068, -0.0063, -0.0933], "mean": -0.0559, "spread": 0.0871}, "at": 1786904508}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900939, "scored_at": 1786904508, "alerts": [], "rank": 968}, {"candidate_id": "ODC-999F23", "res_at": 1787579548, "skeleton": "YGYUHVOLFKUTNY", "hf_user": "Ku-ku", "display_name": "KK-M-0824-45", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.423, "axes": {"activity": 14.31, "binding": 18.63, "selectivity": 12.31, "admet": 5.71, "novelty": 4.16, "synthesis": 4.31}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 7.79, "LE": 0.464, "potency_term": 0.931, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.931}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.532, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.458556171055026, "aff_pf": -1.7941537300745647, "aff_hs": -0.47270745038986206, "repeats_pf": {"runs": 3, "values": [-1.7782, -1.7829, -1.8214], "mean": -1.7942, "spread": 0.0432}, "repeats_hs": {"runs": 3, "values": [-0.355, -0.4938, -0.5694], "mean": -0.4727, "spread": 0.2144}, "at": 1787579548}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578577, "scored_at": 1787579548, "alerts": [], "rank": 969}, {"candidate_id": "ODC-DE04F8", "res_at": 1788427852, "skeleton": "AORQIVGLBQLBJC", "hf_user": "Bio-JS", "display_name": "0903-S1-07 mF/cPr/tmSO", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 59.418, "axes": {"activity": 21.31, "binding": 13.67, "selectivity": 13.63, "admet": 3.05, "novelty": 4.84, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.879, "fraction": 0.71}, "binding": {"pIC50": 7.19, "LE": 0.281, "potency_term": 0.729, "efficiency_cap": 0.938}, "selectivity": {"fold": 74.2, "selectivity_term": 0.935, "target_engagement": 0.729}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.405, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.878705738731837, "aff_pf": -1.1867281198501587, "aff_hs": 0.6836067239443461, "repeats_pf": {"runs": 3, "values": [-1.1828, -1.3219, -1.0555], "mean": -1.1867, "spread": 0.2664}, "repeats_hs": {"runs": 3, "values": [0.7973, 0.7975, 0.456], "mean": 0.6836, "spread": 0.3415}, "at": 1788427852}, "tier": 1, "alerts": [], "total_sd": 1.491, "total_ci95": [56.645, 61.833], "relegate_reason": [], "submitted_at": 1788362715, "scored_at": 1788427852, "rank": 970}, {"candidate_id": "ODC-1341A7", "res_at": 1788993605, "skeleton": "IRIOYCWIPKLZID", "hf_user": "Bio-JS", "display_name": "0910-S1-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.392, "axes": {"activity": 11.85, "binding": 17.15, "selectivity": 17.15, "admet": 6.13, "novelty": 3.12, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 5.311, "fraction": 0.395}, "binding": {"pIC50": 7.57, "LE": 0.451, "potency_term": 0.857, "efficiency_cap": 1.0}, "selectivity": {"fold": 114.5, "selectivity_term": 1.0, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.371, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.372, "herg": 0.889, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.3109534086671575, "aff_pf": -1.5721381902694702, "aff_hs": 0.48652687668800354, "repeats_pf": {"runs": 3, "values": [-1.6095, -1.6086, -1.4983], "mean": -1.5721, "spread": 0.1111}, "repeats_hs": {"runs": 3, "values": [0.383, 0.5778, 0.4987], "mean": 0.4865, "spread": 0.1948}, "at": 1788993605}, "tier": 1, "alerts": [], "total_sd": 0.636, "total_ci95": [57.9, 60.077], "relegate_reason": [], "submitted_at": 1788993242, "scored_at": 1788993605, "rank": 971}, {"candidate_id": "ODC-E15D13", "res_at": 1786897298, "skeleton": "POLZXMGKANQIEE", "hf_user": "1Dmeds", "display_name": "ODC26-R4B-4I", "model_name": "Claude Sonnet 4.6", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.381, "axes": {"activity": 11.06, "binding": 17.55, "selectivity": 15.72, "admet": 6.19, "novelty": 5.06, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 7.63, "LE": 0.475, "potency_term": 0.877, "efficiency_cap": 1.0}, "selectivity": {"fold": 62.0, "selectivity_term": 0.896, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.315, "herg": 0.548, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.26368314979664, "aff_pf": -1.632063666979472, "aff_hs": 0.1601460874080658, "repeats_pf": {"runs": 3, "values": [-1.6208, -1.6206, -1.6548], "mean": -1.6321, "spread": 0.0342}, "repeats_hs": {"runs": 3, "values": [0.1913, 0.1344, 0.1547], "mean": 0.1601, "spread": 0.0569}, "at": 1786897298}, "tier": 1, "relegate_reason": [], "submitted_at": 1786882031, "scored_at": 1786897298, "alerts": [], "rank": 972}, {"candidate_id": "ODC-BF15EB", "res_at": 1788151784, "skeleton": "QHGOHNJXFNLPGF", "hf_user": "Bio-JS", "display_name": "N2 음성대조 C6 자리 H->Me", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1C", "total": 59.371, "axes": {"activity": 22.06, "binding": 14.23, "selectivity": 10.66, "admet": 4.6, "novelty": 4.51, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.924, "fraction": 0.735}, "binding": {"pIC50": 7.13, "LE": 0.407, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.5, "selectivity_term": 0.749, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.338, "ld50-zhu": 0.379, "herg": 0.501, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.923880472812794, "aff_pf": -1.1343532005945842, "aff_hs": 0.3645535111427307, "repeats_pf": {"runs": 3, "values": [-1.3682, -1.0403, -0.9945], "mean": -1.1344, "spread": 0.3737}, "repeats_hs": {"runs": 3, "values": [0.3304, 0.2796, 0.4836], "mean": 0.3646, "spread": 0.204}, "at": 1788151784}, "tier": 1, "alerts": [], "total_sd": 2.057, "total_ci95": [56.628, 64.988], "relegate_reason": [], "submitted_at": 1788139408, "scored_at": 1788151784, "rank": 973}, {"candidate_id": "ODC-C63E02", "res_at": 1787059603, "skeleton": "PNBUDUYDFLCIDT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCN(C··········)CCC1", "total": 59.369, "axes": {"activity": 25.07, "binding": 13.13, "selectivity": 7.2, "admet": 4.69, "novelty": 6.03, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 6.104, "fraction": 0.836}, "binding": {"pIC50": 7.17, "LE": 0.273, "potency_term": 0.722, "efficiency_cap": 0.909}, "selectivity": {"fold": 9.9, "selectivity_term": 0.499, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.596, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.768, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.725, "herg": 0.218, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "2", "pAct_q10": 6.104394403385365, "aff_pf": -1.1662298043568928, "aff_hs": -0.1686838095386823, "repeats_pf": {"runs": 3, "values": [-1.0773, -1.155, -1.2664], "mean": -1.1662, "spread": 0.189}, "repeats_hs": {"runs": 3, "values": [-0.2459, -0.1446, -0.1155], "mean": -0.1687, "spread": 0.1304}, "at": 1787059603}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057940, "scored_at": 1787059603, "alerts": [], "rank": 974}, {"candidate_id": "ODC-74EC63", "res_at": 1787053851, "skeleton": "HREKZZMSVMOCRP", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 59.358, "axes": {"activity": 15.84, "binding": 17.85, "selectivity": 10.76, "admet": 5.98, "novelty": 5.18, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.55, "fraction": 0.528}, "binding": {"pIC50": 7.68, "LE": 0.421, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.603, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.822, "ld50-zhu": 0.599, "herg": 0.243, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.5502420794755425, "aff_pf": -1.6775160630544026, "aff_hs": -0.472453107436498, "repeats_pf": {"runs": 3, "values": [-1.6804, -1.6533, -1.6989], "mean": -1.6775, "spread": 0.0456}, "repeats_hs": {"runs": 3, "values": [-0.4868, -0.4554, -0.4752], "mean": -0.4725, "spread": 0.0314}, "at": 1787053851}, "tier": 1, "relegate_reason": [], "submitted_at": 1787053607, "scored_at": 1787053851, "alerts": [], "rank": 975}, {"candidate_id": "ODC-F7C4E3", "res_at": 1786900348, "skeleton": "BBEYNMKWBDXAHI", "hf_user": "choa712", "display_name": "LUCY-L7-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.353, "axes": {"activity": 20.68, "binding": 15.75, "selectivity": 10.88, "admet": 4.87, "novelty": 3.65, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.841, "fraction": 0.689}, "binding": {"pIC50": 7.36, "LE": 0.439, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.1, "selectivity_term": 0.691, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.411, "ld50-zhu": 0.274, "herg": 0.386, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.841028669637924, "aff_pf": -1.3625888029734294, "aff_hs": 0.018650541702906292, "repeats_pf": {"runs": 3, "values": [-1.4384, -1.2635, -1.3858], "mean": -1.3626, "spread": 0.1749}, "repeats_hs": {"runs": 3, "values": [-0.2275, 0.3148, -0.0314], "mean": 0.0187, "spread": 0.5423}, "at": 1786900348}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887397, "scored_at": 1786900348, "alerts": [], "rank": 976}, {"candidate_id": "ODC-1D5165", "res_at": 1786910599, "skeleton": "UKZPFFQMJLUDKM", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.33, "axes": {"activity": 22.31, "binding": 15.92, "selectivity": 9.74, "admet": 4.05, "novelty": 3.92, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.939, "fraction": 0.744}, "binding": {"pIC50": 7.39, "LE": 0.389, "potency_term": 0.796, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.612, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.106, "cyp3a4-substrate-carbonmangels": 0.207, "ld50-zhu": 0.457, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.938532153255792, "aff_pf": -1.3884024222691853, "aff_hs": -0.16487896628677845, "repeats_pf": {"runs": 3, "values": [-1.3845, -1.3923, -1.3884], "mean": -1.3884, "spread": 0.0079}, "repeats_hs": {"runs": 3, "values": [-0.2833, -0.0045, -0.2068], "mean": -0.1649, "spread": 0.2787}, "at": 1786910599}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900937, "scored_at": 1786910599, "alerts": [], "rank": 977}, {"candidate_id": "ODC-97FC72", "res_at": 1787712529, "skeleton": "LZSPFSSMHJJXGF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 59.309, "axes": {"activity": 27.3, "binding": 12.96, "selectivity": 2.79, "admet": 7.99, "novelty": 7.04, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 6.238, "fraction": 0.91}, "binding": {"pIC50": 6.96, "LE": 0.298, "potency_term": 0.653, "efficiency_cap": 0.993}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.492, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.19, "ld50-zhu": 0.844, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 5.05}}, "run": {"gpu": "3", "pAct_q10": 6.237757413522328, "aff_pf": -0.9579569101333618, "aff_hs": -0.5302359461784363, "repeats_pf": {"runs": 3, "values": [-1.0658, -0.9821, -0.826], "mean": -0.958, "spread": 0.2399}, "repeats_hs": {"runs": 3, "values": [-0.5037, -0.436, -0.6511], "mean": -0.5302, "spread": 0.2151}, "at": 1787712529}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712111, "scored_at": 1787712529, "alerts": [], "rank": 978}, {"candidate_id": "ODC-9CCD63", "res_at": 1787666637, "skeleton": "HRAGSAGZSNZYOT", "hf_user": "Ku-ku", "display_name": "KK-M-0825-34", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 59.293, "axes": {"activity": 12.77, "binding": 17.14, "selectivity": 11.32, "admet": 9.31, "novelty": 5.92, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.426}, "binding": {"pIC50": 7.57, "LE": 0.399, "potency_term": 0.857, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.9, "selectivity_term": 0.661, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.724, "per_endpoint": {"solubility-aqsoldb": 0.74, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.941, "cyp3a4-substrate-carbonmangels": 0.4, "ld50-zhu": 0.646, "herg": 0.456, "dili": 0.526}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.365974063857159, "aff_pf": -1.5716966390609741, "aff_hs": -0.2505845030148824, "repeats_pf": {"runs": 3, "values": [-1.5731, -1.5668, -1.5753], "mean": -1.5717, "spread": 0.0085}, "repeats_hs": {"runs": 3, "values": [-0.1013, -0.48, -0.1705], "mean": -0.2506, "spread": 0.3787}, "at": 1787666637}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787665916, "scored_at": 1787666637, "rank": 979}, {"candidate_id": "ODC-358993", "res_at": 1787568783, "skeleton": "VGQZUJKKTDZJSY", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 59.292, "axes": {"activity": 30.0, "binding": 10.5, "selectivity": 1.36, "admet": 8.19, "novelty": 7.65, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 6.422, "fraction": 1.0}, "binding": {"pIC50": 6.57, "LE": 0.311, "potency_term": 0.525, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.13, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.986, "cyp2c9-veith": 0.972, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.756, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.235, "novelty": 0.765}, "synthesis": {"sa_score": 4.89}}, "run": {"gpu": "3", "pAct_q10": 6.422344009376969, "aff_pf": -0.5748603145281473, "aff_hs": -0.31539573272069293, "repeats_pf": {"runs": 3, "values": [-0.1928, -0.7365, -0.7953], "mean": -0.5749, "spread": 0.6024}, "repeats_hs": {"runs": 3, "values": [-0.3095, -0.3432, -0.2935], "mean": -0.3154, "spread": 0.0497}, "at": 1787568783}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566810, "scored_at": 1787568783, "alerts": [], "rank": 980}, {"candidate_id": "ODC-5C45B5", "res_at": 1787152044, "skeleton": "OVGSPYPTTJMOSZ", "hf_user": "takutoyo", "display_name": "PfD8-A8", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 59.281, "axes": {"activity": 20.27, "binding": 15.79, "selectivity": 9.92, "admet": 5.15, "novelty": 4.87, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.816, "fraction": 0.676}, "binding": {"pIC50": 7.37, "LE": 0.439, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.628, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.403, "herg": 0.822, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.8164529458779235, "aff_pf": -1.3679310878117878, "aff_hs": -0.1114339114477237, "repeats_pf": {"runs": 3, "values": [-1.5101, -1.3469, -1.2467], "mean": -1.3679, "spread": 0.2634}, "repeats_hs": {"runs": 3, "values": [0.0021, -0.3542, 0.0178], "mean": -0.1114, "spread": 0.372}, "at": 1787152044}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148017, "scored_at": 1787152044, "alerts": [], "rank": 981}, {"candidate_id": "ODC-ECE524", "res_at": 1786886344, "skeleton": "RTXGUPGEDSUOJH", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.28, "axes": {"activity": 16.41, "binding": 16.3, "selectivity": 13.63, "admet": 4.9, "novelty": 4.48, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.584, "fraction": 0.547}, "binding": {"pIC50": 7.45, "LE": 0.425, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 47.0, "selectivity_term": 0.836, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.421, "herg": 0.507, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.584314174770058, "aff_pf": -1.4454813400904338, "aff_hs": 0.22617106139659882, "repeats_pf": {"runs": 3, "values": [-1.374, -1.5428, -1.4196], "mean": -1.4455, "spread": 0.1688}, "repeats_hs": {"runs": 3, "values": [0.1305, 0.2977, 0.2503], "mean": 0.2262, "spread": 0.1673}, "at": 1786886344}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875261, "scored_at": 1786886344, "alerts": [], "rank": 982}, {"candidate_id": "ODC-AFC202", "res_at": 1786839684, "skeleton": "NPDSUAXYMMBUNQ", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Cl", "total": 59.278, "axes": {"activity": 20.92, "binding": 14.87, "selectivity": 9.2, "admet": 6.17, "novelty": 4.68, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.855, "fraction": 0.697}, "binding": {"pIC50": 7.23, "LE": 0.45, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.94, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.619, "cyp3a4-substrate-carbonmangels": 0.953, "ld50-zhu": 0.235, "herg": 0.951, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.855409820701331, "aff_pf": -1.2299200693766277, "aff_hs": 0.007347278296947479, "repeats_pf": {"runs": 3, "values": [-1.3718, -1.1327, -1.1853], "mean": -1.2299, "spread": 0.2391}, "repeats_hs": {"runs": 3, "values": [-0.1626, 0.096, 0.0887], "mean": 0.0073, "spread": 0.2586}, "at": 1786839684}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805788, "scored_at": 1786839684, "alerts": [], "rank": 983}, {"candidate_id": "ODC-76DC78", "res_at": 1786867590, "skeleton": "VJGIWIFIORBCAQ", "hf_user": "choa712", "display_name": "LUCY-R3-05", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 59.218, "axes": {"activity": 11.15, "binding": 17.35, "selectivity": 13.99, "admet": 7.45, "novelty": 5.65, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.269, "fraction": 0.372}, "binding": {"pIC50": 7.6, "LE": 0.496, "potency_term": 0.867, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.0, "selectivity_term": 0.807, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.572, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.579, "herg": 0.74, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.268893655813815, "aff_pf": -1.6022574106852214, "aff_hs": 0.010744119683901468, "repeats_pf": {"runs": 3, "values": [-1.5575, -1.6348, -1.6144], "mean": -1.6023, "spread": 0.0773}, "repeats_hs": {"runs": 3, "values": [0.0567, -0.196, 0.1715], "mean": 0.0107, "spread": 0.3674}, "at": 1786867590}, "tier": 1, "relegate_reason": [], "submitted_at": 1786858563, "scored_at": 1786867590, "alerts": [], "rank": 984}, {"candidate_id": "ODC-474691", "res_at": 1789193558, "skeleton": "VDKMOHWUCAVNLK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 59.215, "axes": {"activity": 17.14, "binding": 16.11, "selectivity": 12.82, "admet": 5.8, "novelty": 3.71, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.42, "LE": 0.406, "potency_term": 0.805, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.1, "selectivity_term": 0.796, "target_engagement": 0.805}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.416, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.628356806895859, "aff_pf": -1.41580335299174, "aff_hs": 0.17592932283878326, "repeats_pf": {"runs": 3, "values": [-1.4032, -1.4814, -1.3627], "mean": -1.4158, "spread": 0.1187}, "repeats_hs": {"runs": 3, "values": [0.1925, 0.1133, 0.222], "mean": 0.1759, "spread": 0.1087}, "at": 1789193558}, "tier": 1, "alerts": [], "total_sd": 0.757, "total_ci95": [57.925, 60.682], "relegate_reason": [], "submitted_at": 1789175316, "scored_at": 1789193558, "rank": 985}, {"candidate_id": "ODC-7E62E3", "res_at": 1788316313, "skeleton": "NXQBULASQLGMCS", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.212, "axes": {"activity": 15.37, "binding": 17.76, "selectivity": 10.73, "admet": 7.25, "novelty": 3.93, "synthesis": 4.18}, "detail": {"activity": {"pAct_q10": 5.522, "fraction": 0.512}, "binding": {"pIC50": 7.66, "LE": 0.456, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.2, "selectivity_term": 0.604, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.446, "cyp3a4-substrate-carbonmangels": 0.557, "ld50-zhu": 0.483, "herg": 0.54, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.558, "novelty": 0.442}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.522304131920521, "aff_pf": -1.6635783513387044, "aff_hs": -0.4552539885044098, "repeats_pf": {"runs": 3, "values": [-1.6817, -1.658, -1.651], "mean": -1.6636, "spread": 0.0307}, "repeats_hs": {"runs": 3, "values": [-0.5121, -0.4914, -0.3623], "mean": -0.4553, "spread": 0.1497}, "at": 1788316313}, "tier": 1, "alerts": [], "total_sd": 0.391, "total_ci95": [58.511, 59.857], "relegate_reason": [], "submitted_at": 1788316000, "scored_at": 1788316313, "rank": 986}, {"candidate_id": "ODC-9D3BBD", "res_at": 1787051563, "skeleton": "GRHHFXKNAPKJFY", "hf_user": "takutoyo", "display_name": "PfD6-A6", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 59.202, "axes": {"activity": 13.29, "binding": 17.94, "selectivity": 14.49, "admet": 5.74, "novelty": 4.17, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.397, "fraction": 0.443}, "binding": {"pIC50": 7.69, "LE": 0.479, "potency_term": 0.897, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.3, "selectivity_term": 0.808, "target_engagement": 0.897}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.115, "ld50-zhu": 0.413, "herg": 0.423, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.397326189994517, "aff_pf": -1.6915594736735027, "aff_hs": -0.07605404158433278, "repeats_pf": {"runs": 3, "values": [-1.7206, -1.6534, -1.7007], "mean": -1.6916, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [-0.09, -0.0493, -0.0888], "mean": -0.0761, "spread": 0.0407}, "at": 1787051563}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047021, "scored_at": 1787051563, "alerts": [], "rank": 987}, {"candidate_id": "ODC-C90341", "res_at": 1786875614, "skeleton": "YURILDWFBFYUJE", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 59.195, "axes": {"activity": 15.07, "binding": 16.02, "selectivity": 15.98, "admet": 5.35, "novelty": 3.39, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.504, "fraction": 0.502}, "binding": {"pIC50": 7.4, "LE": 0.441, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 99.0, "selectivity_term": 0.998, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.359, "herg": 0.771, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.5044838771566855, "aff_pf": -1.4023752212524414, "aff_hs": 0.5932994882265726, "repeats_pf": {"runs": 3, "values": [-1.3722, -1.4064, -1.4285], "mean": -1.4024, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [0.5853, 0.728, 0.4666], "mean": 0.5933, "spread": 0.2615}, "at": 1786875614}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867656, "scored_at": 1786875614, "alerts": [], "rank": 988}, {"candidate_id": "ODC-9E71CD", "res_at": 1786840603, "skeleton": "ODBFOWPKJJGBKX", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "GPT-5.6 Sol, Claude-Opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.192, "axes": {"activity": 14.98, "binding": 17.81, "selectivity": 11.92, "admet": 6.7, "novelty": 3.49, "synthesis": 4.29}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.499}, "binding": {"pIC50": 7.67, "LE": 0.457, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.561, "ld50-zhu": 0.435, "herg": 0.384, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.4987482826407135, "aff_pf": -1.6708920796712239, "aff_hs": -0.33208053310712177, "repeats_pf": {"runs": 3, "values": [-1.6728, -1.6725, -1.6674], "mean": -1.6709, "spread": 0.0054}, "repeats_hs": {"runs": 3, "values": [-0.427, -0.2627, -0.3066], "mean": -0.3321, "spread": 0.1643}, "at": 1786840603}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806585, "scored_at": 1786840603, "alerts": [], "rank": 989}, {"candidate_id": "ODC-F06B22", "res_at": 1787631216, "skeleton": "NXNOTZBMDIQHDC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.183, "axes": {"activity": 20.0, "binding": 16.22, "selectivity": 8.74, "admet": 6.67, "novelty": 4.13, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.8, "fraction": 0.667}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.539, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.456, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.457, "herg": 0.904, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.799871368848487, "aff_pf": -1.432724157969157, "aff_hs": -0.3555334111054738, "repeats_pf": {"runs": 3, "values": [-1.4147, -1.4824, -1.401], "mean": -1.4327, "spread": 0.0814}, "repeats_hs": {"runs": 3, "values": [-0.4572, -0.2169, -0.3925], "mean": -0.3555, "spread": 0.2403}, "at": 1787631216}, "tier": 1, "relegate_reason": [], "submitted_at": 1787624255, "scored_at": 1787631216, "alerts": [], "rank": 990}, {"candidate_id": "ODC-969EE8", "res_at": 1787568394, "skeleton": "QSTAQOGSYOTRPN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 59.173, "axes": {"activity": 29.33, "binding": 10.66, "selectivity": 1.86, "admet": 8.05, "novelty": 7.56, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 6.36, "fraction": 0.978}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.175, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.551, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 4.77}}, "run": {"gpu": "3", "pAct_q10": 6.359506154409694, "aff_pf": -0.5994717876116434, "aff_hs": -0.2504192888736725, "repeats_pf": {"runs": 3, "values": [-0.6216, -0.5718, -0.6049], "mean": -0.5995, "spread": 0.0498}, "repeats_hs": {"runs": 3, "values": [-0.256, -0.2479, -0.2474], "mean": -0.2504, "spread": 0.0086}, "at": 1787568394}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566776, "scored_at": 1787568394, "alerts": [], "rank": 991}, {"candidate_id": "ODC-A02C63", "res_at": 1787118263, "skeleton": "VZUUBTLQTZYXIM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)COC1", "total": 59.167, "axes": {"activity": 30.0, "binding": 7.92, "selectivity": 4.53, "admet": 5.74, "novelty": 7.02, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.607, "fraction": 1.0}, "binding": {"pIC50": 6.42, "LE": 0.251, "potency_term": 0.473, "efficiency_cap": 0.838}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.703, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.115, "ld50-zhu": 0.539, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.607330754520525, "aff_pf": -0.4188997447490692, "aff_hs": 0.5393671790758768, "repeats_pf": {"runs": 3, "values": [-0.4783, -0.5874, -0.191], "mean": -0.4189, "spread": 0.3964}, "repeats_hs": {"runs": 3, "values": [0.3482, 0.7611, 0.5088], "mean": 0.5394, "spread": 0.4129}, "at": 1787118263}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101112, "scored_at": 1787118263, "alerts": [], "rank": 992}, {"candidate_id": "ODC-36579E", "res_at": 1787413289, "skeleton": "XIJICLDFENPOFP", "hf_user": "takutoyo", "display_name": "PfD14-10", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 59.123, "axes": {"activity": 12.37, "binding": 18.5, "selectivity": 9.21, "admet": 9.72, "novelty": 6.17, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 7.78, "LE": 0.444, "potency_term": 0.925, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.701, "per_endpoint": {"solubility-aqsoldb": 0.64, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.897, "cyp3a4-substrate-carbonmangels": 0.847, "ld50-zhu": 0.523, "herg": 1.0, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.342176432214849, "aff_pf": -1.7752674023310344, "aff_hs": -0.7792438268661499, "repeats_pf": {"runs": 3, "values": [-1.8106, -1.7785, -1.7367], "mean": -1.7753, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [-0.8102, -0.7345, -0.793], "mean": -0.7792, "spread": 0.0758}, "at": 1787413289}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408057, "scored_at": 1787413289, "rank": 993}, {"candidate_id": "ODC-715CEF", "res_at": 1786832717, "skeleton": "ZHRSFGWRBACJIY", "hf_user": "rkrkrkekekek", "display_name": "zzzzz", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.114, "axes": {"activity": 14.88, "binding": 16.76, "selectivity": 14.89, "admet": 5.94, "novelty": 2.57, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.493, "fraction": 0.496}, "binding": {"pIC50": 7.51, "LE": 0.49, "potency_term": 0.838, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.8, "selectivity_term": 0.888, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.436, "herg": 0.262, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 5.4929014105972085, "aff_pf": -1.514432470003764, "aff_hs": 0.26207562287648517, "repeats_pf": {"runs": 3, "values": [-1.5525, -1.4721, -1.5187], "mean": -1.5144, "spread": 0.0804}, "repeats_hs": {"runs": 3, "values": [0.2715, 0.2404, 0.2742], "mean": 0.2621, "spread": 0.0338}, "at": 1786832717}, "tier": 1, "relegate_reason": [], "submitted_at": 1786800936, "scored_at": 1786832717, "alerts": [], "rank": 994}, {"candidate_id": "ODC-B1AC49", "res_at": 1787576597, "skeleton": "WUMCXZIGBKDOIA", "hf_user": "Ku-ku", "display_name": "KK-M-0824-31", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 59.112, "axes": {"activity": 13.98, "binding": 18.26, "selectivity": 12.69, "admet": 4.3, "novelty": 6.04, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 7.74, "LE": 0.424, "potency_term": 0.913, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.5, "selectivity_term": 0.695, "target_engagement": 0.913}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.291, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.438970331496872, "aff_pf": -1.739092230796814, "aff_hs": -0.3497409125169118, "repeats_pf": {"runs": 3, "values": [-1.9145, -1.7236, -1.5792], "mean": -1.7391, "spread": 0.3353}, "repeats_hs": {"runs": 3, "values": [-0.3547, -0.317, -0.3775], "mean": -0.3497, "spread": 0.0605}, "at": 1787576597}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575345, "scored_at": 1787576597, "alerts": [], "rank": 995}, {"candidate_id": "ODC-531823", "res_at": 1786837217, "skeleton": "GXHWBOKCLPIQFB", "hf_user": "Jt1004", "display_name": "Jt1004", "model_name": "OpenAI GPT-5.6 Sol + ODC Harness v1", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 59.084, "axes": {"activity": 14.02, "binding": 18.22, "selectivity": 13.97, "admet": 6.06, "novelty": 2.92, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 7.73, "LE": 0.441, "potency_term": 0.911, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.2, "selectivity_term": 0.767, "target_engagement": 0.911}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.453, "ld50-zhu": 0.27, "herg": 0.368, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.441303234618464, "aff_pf": -1.7323185205459595, "aff_hs": -0.19808745880921683, "repeats_pf": {"runs": 3, "values": [-1.6895, -1.7472, -1.7602], "mean": -1.7323, "spread": 0.0707}, "repeats_hs": {"runs": 3, "values": [-0.1926, -0.2226, -0.1791], "mean": -0.1981, "spread": 0.0435}, "at": 1786837217}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805006, "scored_at": 1786837217, "alerts": [], "rank": 996}, {"candidate_id": "ODC-677869", "res_at": 1787909400, "skeleton": "DFLJQZOBURRFKN", "hf_user": "Bio-JS", "display_name": "A3 메타-F x 싸이에탄/CH2F/설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 59.07, "axes": {"activity": 18.86, "binding": 15.91, "selectivity": 12.84, "admet": 3.1, "novelty": 5.44, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.732, "fraction": 0.629}, "binding": {"pIC50": 7.56, "LE": 0.28, "potency_term": 0.853, "efficiency_cap": 0.933}, "selectivity": {"fold": 32.1, "selectivity_term": 0.753, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.41, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.768, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "0", "pAct_q10": 5.731729673557282, "aff_pf": -1.557778795560201, "aff_hs": -0.051900699734687805, "repeats_pf": {"runs": 3, "values": [-1.5453, -1.5959, -1.5322], "mean": -1.5578, "spread": 0.0637}, "repeats_hs": {"runs": 3, "values": [-0.1162, -0.0777, 0.0382], "mean": -0.0519, "spread": 0.1543}, "at": 1787909400}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897072, "scored_at": 1787909400, "alerts": [], "rank": 997}, {"candidate_id": "ODC-8A8982", "res_at": 1786883396, "skeleton": "COWKNDHJKKAPAK", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(C(C)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 59.063, "axes": {"activity": 19.1, "binding": 16.0, "selectivity": 11.3, "admet": 5.4, "novelty": 3.79, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.746, "fraction": 0.637}, "binding": {"pIC50": 7.4, "LE": 0.422, "potency_term": 0.8, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.9, "selectivity_term": 0.706, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.297, "ld50-zhu": 0.462, "herg": 0.874, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.746068014428855, "aff_pf": -1.3996195793151855, "aff_hs": 0.013027424613634745, "repeats_pf": {"runs": 3, "values": [-1.3953, -1.429, -1.3745], "mean": -1.3996, "spread": 0.0545}, "repeats_hs": {"runs": 3, "values": [-0.0164, 0.1966, -0.1411], "mean": 0.013, "spread": 0.3377}, "at": 1786883396}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876268, "scored_at": 1786883396, "alerts": [], "rank": 998}, {"candidate_id": "ODC-B5D435", "res_at": 1787521084, "skeleton": "OMSHYXKTOXKFMH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 59.008, "axes": {"activity": 27.89, "binding": 12.32, "selectivity": 1.85, "admet": 7.39, "novelty": 6.24, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.273, "fraction": 0.93}, "binding": {"pIC50": 6.85, "LE": 0.347, "potency_term": 0.616, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.15, "target_engagement": 0.616}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.76, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.915, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.609, "herg": 0.248, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 6.273339329863326, "aff_pf": -0.8477144042650858, "aff_hs": -0.5473060607910156, "repeats_pf": {"runs": 3, "values": [-0.8239, -0.8645, -0.8547], "mean": -0.8477, "spread": 0.0406}, "repeats_hs": {"runs": 3, "values": [-0.5424, -0.6344, -0.4651], "mean": -0.5473, "spread": 0.1693}, "at": 1787521084}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520497, "scored_at": 1787521084, "alerts": [], "rank": 999}, {"candidate_id": "ODC-F0115D", "res_at": 1788229310, "skeleton": "JNORHVMAFQSNPO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 59.001, "axes": {"activity": 15.59, "binding": 18.47, "selectivity": 9.94, "admet": 6.34, "novelty": 4.46, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 7.77, "LE": 0.463, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.538, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.753, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.703, "herg": 0.659, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.535350689796122, "aff_pf": -1.7707225879033406, "aff_hs": -0.6942328612009684, "repeats_pf": {"runs": 3, "values": [-1.7454, -1.7736, -1.7932], "mean": -1.7707, "spread": 0.0478}, "repeats_hs": {"runs": 3, "values": [-0.7269, -0.6529, -0.7029], "mean": -0.6942, "spread": 0.074}, "at": 1788229310}, "tier": 1, "alerts": [], "total_sd": 0.306, "total_ci95": [58.306, 59.563], "relegate_reason": [], "submitted_at": 1788172502, "scored_at": 1788229310, "rank": 1000}, {"candidate_id": "ODC-E419C7", "res_at": 1788149514, "skeleton": "NIRVKMMQSSFPCB", "hf_user": "Bio-JS", "display_name": "P5 아닐린 파라 4-에틸", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········)cc1F", "total": 58.997, "axes": {"activity": 18.6, "binding": 17.18, "selectivity": 8.69, "admet": 6.17, "novelty": 4.37, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 5.716, "fraction": 0.62}, "binding": {"pIC50": 7.58, "LE": 0.432, "potency_term": 0.859, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.859}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.454, "ld50-zhu": 0.329, "herg": 0.28, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.7159507635823354, "aff_pf": -1.576346516609192, "aff_hs": -0.5639362732569376, "repeats_pf": {"runs": 3, "values": [-1.405, -1.6193, -1.7048], "mean": -1.5763, "spread": 0.2998}, "repeats_hs": {"runs": 3, "values": [-0.4584, -0.8567, -0.3767], "mean": -0.5639, "spread": 0.48}, "at": 1788149514}, "tier": 1, "alerts": [], "total_sd": 2.021, "total_ci95": [54.936, 62.883], "relegate_reason": [], "submitted_at": 1788139363, "scored_at": 1788149514, "rank": 1001}, {"candidate_id": "ODC-23CC3D", "res_at": 1787412477, "skeleton": "KZZZVQXYUCDXRD", "hf_user": "takutoyo", "display_name": "PfD14-07", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC[Se]c··········)n2n1", "total": 58.994, "axes": {"activity": 10.8, "binding": 18.47, "selectivity": 10.74, "admet": 9.78, "novelty": 6.07, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 7.77, "LE": 0.463, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.581, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.706, "per_endpoint": {"solubility-aqsoldb": 0.673, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.959, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.507, "herg": 1.0, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.247875447932471, "aff_pf": -1.7707399527231853, "aff_hs": -0.6082247098286947, "repeats_pf": {"runs": 3, "values": [-1.796, -1.7538, -1.7624], "mean": -1.7707, "spread": 0.0422}, "repeats_hs": {"runs": 3, "values": [-0.6122, -0.5665, -0.646], "mean": -0.6082, "spread": 0.0795}, "at": 1787412477}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408018, "scored_at": 1787412477, "rank": 1002}, {"candidate_id": "ODC-F9092B", "res_at": 1786898826, "skeleton": "CMIXDHQQTSFSCI", "hf_user": "choa712", "display_name": "LUCY-L8-02", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 58.987, "axes": {"activity": 21.03, "binding": 16.03, "selectivity": 7.85, "admet": 5.59, "novelty": 5.09, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.862, "fraction": 0.701}, "binding": {"pIC50": 7.4, "LE": 0.406, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.5, "selectivity_term": 0.49, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.366, "herg": 0.375, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.861655564773165, "aff_pf": -1.4044666687647502, "aff_hs": -0.4248404900232951, "repeats_pf": {"runs": 3, "values": [-1.3988, -1.3805, -1.4341], "mean": -1.4045, "spread": 0.0537}, "repeats_hs": {"runs": 3, "values": [-0.505, -0.5769, -0.1927], "mean": -0.4248, "spread": 0.3842}, "at": 1786898826}, "tier": 1, "relegate_reason": [], "submitted_at": 1786894563, "scored_at": 1786898826, "alerts": [], "rank": 1003}, {"candidate_id": "ODC-C52762", "res_at": 1787871794, "skeleton": "FMJPRVCAWYBGBD", "hf_user": "Bio-JS", "display_name": "가지: 에타이닐", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 58.97, "axes": {"activity": 16.15, "binding": 16.65, "selectivity": 13.89, "admet": 3.39, "novelty": 5.69, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.569, "fraction": 0.538}, "binding": {"pIC50": 7.65, "LE": 0.283, "potency_term": 0.882, "efficiency_cap": 0.944}, "selectivity": {"fold": 37.6, "selectivity_term": 0.787, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.355, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.459, "herg": 0.05, "dili": 0.167}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.569237272021499, "aff_pf": -1.6462679704030354, "aff_hs": -0.07138650119304657, "repeats_pf": {"runs": 3, "values": [-1.6118, -1.5691, -1.7578], "mean": -1.6463, "spread": 0.1887}, "repeats_hs": {"runs": 3, "values": [-0.0842, -0.2109, 0.081], "mean": -0.0714, "spread": 0.2919}, "at": 1787849042}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795871, "scored_at": 1787849042, "alerts": [], "rank": 1004}, {"candidate_id": "ODC-C60F82", "res_at": 1787084842, "skeleton": "DZNHVGUWLZBYLA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 58.959, "axes": {"activity": 14.7, "binding": 18.03, "selectivity": 12.1, "admet": 4.86, "novelty": 5.8, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 7.7, "LE": 0.406, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.0, "selectivity_term": 0.671, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.598, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.267, "ld50-zhu": 0.684, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "2", "pAct_q10": 5.481967462638939, "aff_pf": -1.704986333847046, "aff_hs": -0.3631192147731781, "repeats_pf": {"runs": 3, "values": [-1.6973, -1.7186, -1.6991], "mean": -1.705, "spread": 0.0213}, "repeats_hs": {"runs": 3, "values": [-0.4342, -0.3205, -0.3346], "mean": -0.3631, "spread": 0.1137}, "at": 1787084842}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074063, "scored_at": 1787084842, "alerts": [], "rank": 1005}, {"candidate_id": "ODC-5E4A59", "res_at": 1787045816, "skeleton": "XSEFYMBPVDWFJH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 58.954, "axes": {"activity": 20.32, "binding": 16.3, "selectivity": 7.93, "admet": 5.85, "novelty": 5.27, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.819, "fraction": 0.677}, "binding": {"pIC50": 7.45, "LE": 0.392, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.216, "cyp3a4-substrate-carbonmangels": 0.798, "ld50-zhu": 0.445, "herg": 0.381, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 5.819293623814468, "aff_pf": -1.4454330205917358, "aff_hs": -0.4726400375366211, "repeats_pf": {"runs": 3, "values": [-1.3917, -1.4635, -1.4811], "mean": -1.4454, "spread": 0.0894}, "repeats_hs": {"runs": 3, "values": [-0.3438, -0.4679, -0.6062], "mean": -0.4726, "spread": 0.2624}, "at": 1787045816}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039480, "scored_at": 1787045816, "alerts": [], "rank": 1006}, {"candidate_id": "ODC-2E3C23", "res_at": 1788296821, "skeleton": "YNRDOCIQUWLCJM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-B-H2-cpa-u-C6-4Mepentenyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CC(C)··········N)CC1", "total": 58.936, "axes": {"activity": 30.0, "binding": 14.58, "selectivity": 0.0, "admet": 4.37, "novelty": 7.03, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 6.567, "fraction": 1.0}, "binding": {"pIC50": 7.4, "LE": 0.274, "potency_term": 0.799, "efficiency_cap": 0.913}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.181, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.653, "herg": 0.285, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.93}}, "run": {"gpu": "3", "pAct_q10": 6.56677249447714, "aff_pf": -1.3962757190068562, "aff_hs": -1.4916810194651287, "repeats_pf": {"runs": 3, "values": [-1.3789, -1.4345, -1.3754], "mean": -1.3963, "spread": 0.0592}, "repeats_hs": {"runs": 3, "values": [-1.4447, -1.6063, -1.424], "mean": -1.4917, "spread": 0.1823}, "at": 1788296821}, "tier": 1, "alerts": [], "total_sd": 0.112, "total_ci95": [58.768, 59.095], "relegate_reason": [], "submitted_at": 1788271676, "scored_at": 1788296821, "rank": 1007}, {"candidate_id": "ODC-43AB17", "res_at": 1787489456, "skeleton": "LYWTXIUGWHQQCU", "hf_user": "Ku-ku", "display_name": "KK-M-0823-53", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 58.911, "axes": {"activity": 23.78, "binding": 15.97, "selectivity": 6.49, "admet": 4.24, "novelty": 5.17, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.027, "fraction": 0.793}, "binding": {"pIC50": 7.4, "LE": 0.362, "potency_term": 0.798, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.798}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.89, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.742, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.026734410144288, "aff_pf": -1.3953956762949626, "aff_hs": -0.5821427702903748, "repeats_pf": {"runs": 3, "values": [-1.4044, -1.4183, -1.3635], "mean": -1.3954, "spread": 0.0547}, "repeats_hs": {"runs": 3, "values": [-0.4701, -0.4071, -0.8693], "mean": -0.5821, "spread": 0.4623}, "at": 1787489456}, "tier": 1, "relegate_reason": [], "submitted_at": 1787488795, "scored_at": 1787489456, "alerts": [], "rank": 1008}, {"candidate_id": "ODC-89BD34", "res_at": 1787439752, "skeleton": "YMQFTZFBUKVWJC", "hf_user": "Ku-ku", "display_name": "Q2_core_NHEt", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 58.908, "axes": {"activity": 26.38, "binding": 10.87, "selectivity": 6.04, "admet": 6.11, "novelty": 5.64, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.183, "fraction": 0.879}, "binding": {"pIC50": 6.63, "LE": 0.363, "potency_term": 0.544, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.556, "target_engagement": 0.544}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.405, "herg": 0.381, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 6.182734908657873, "aff_pf": -0.6308056712150574, "aff_hs": 0.48107924064000446, "repeats_pf": {"runs": 3, "values": [-0.6261, -0.6259, -0.6405], "mean": -0.6308, "spread": 0.0146}, "repeats_hs": {"runs": 3, "values": [0.4906, 0.4643, 0.4883], "mean": 0.4811, "spread": 0.0263}, "at": 1787439752}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438796, "scored_at": 1787439752, "alerts": [], "rank": 1009}, {"candidate_id": "ODC-969278", "res_at": 1786854389, "skeleton": "WSOUDMQSEYSPEN", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.896, "axes": {"activity": 12.13, "binding": 17.66, "selectivity": 15.34, "admet": 7.03, "novelty": 2.63, "synthesis": 4.1}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.404}, "binding": {"pIC50": 7.65, "LE": 0.476, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.7, "selectivity_term": 0.869, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.376, "herg": 0.923, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.702, "novelty": 0.298}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.327852270921373, "aff_pf": -1.6484705607096355, "aff_hs": 0.08941984673341115, "repeats_pf": {"runs": 3, "values": [-1.6121, -1.6664, -1.6669], "mean": -1.6485, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [0.2122, 0.0975, -0.0414], "mean": 0.0894, "spread": 0.2536}, "at": 1786854389}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847679, "scored_at": 1786854389, "alerts": [], "rank": 1010}, {"candidate_id": "ODC-95D2E4", "res_at": 1787633913, "skeleton": "PFNKAKUYYJPJPM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.894, "axes": {"activity": 16.97, "binding": 18.0, "selectivity": 11.42, "admet": 4.96, "novelty": 3.4, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.566}, "binding": {"pIC50": 7.7, "LE": 0.44, "potency_term": 0.9, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.9}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.95, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.21, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.617938028025929, "aff_pf": -1.6993201971054077, "aff_hs": -0.43001850446065265, "repeats_pf": {"runs": 3, "values": [-1.6926, -1.735, -1.6703], "mean": -1.6993, "spread": 0.0647}, "repeats_hs": {"runs": 3, "values": [-0.4975, -0.4158, -0.3768], "mean": -0.43, "spread": 0.1207}, "at": 1787633913}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633726, "scored_at": 1787633913, "alerts": [], "rank": 1011}, {"candidate_id": "ODC-7AD2E1", "res_at": 1787223411, "skeleton": "COWYVNGTEBFTFN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 58.893, "axes": {"activity": 21.9, "binding": 15.09, "selectivity": 8.17, "admet": 5.76, "novelty": 5.03, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.914, "fraction": 0.73}, "binding": {"pIC50": 7.26, "LE": 0.398, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.651, "herg": 0.624, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.91388456477615, "aff_pf": -1.2638366222381592, "aff_hs": -0.1806260645389557, "repeats_pf": {"runs": 3, "values": [-1.2447, -1.2705, -1.2763], "mean": -1.2638, "spread": 0.0316}, "repeats_hs": {"runs": 3, "values": [-0.1994, -0.1953, -0.1473], "mean": -0.1806, "spread": 0.0521}, "at": 1787223411}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220790, "scored_at": 1787223411, "alerts": [], "rank": 1012}, {"candidate_id": "ODC-C09D6B", "res_at": 1789011495, "skeleton": "SSCYBMFCLLLRGL", "hf_user": "Bio-JS", "display_name": "0910d-S1-30", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········)n2n1", "total": 58.893, "axes": {"activity": 10.41, "binding": 16.98, "selectivity": 16.98, "admet": 6.79, "novelty": 3.71, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 7.55, "LE": 0.47, "potency_term": 0.849, "efficiency_cap": 1.0}, "selectivity": {"fold": 100.1, "selectivity_term": 1.0, "target_engagement": 0.849}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.727, "ld50-zhu": 0.423, "herg": 0.555, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.224731397187844, "aff_pf": -1.5474347273508708, "aff_hs": 0.45291508237520856, "repeats_pf": {"runs": 3, "values": [-1.5654, -1.5491, -1.5278], "mean": -1.5474, "spread": 0.0376}, "repeats_hs": {"runs": 3, "values": [0.4544, 0.4795, 0.4249], "mean": 0.4529, "spread": 0.0546}, "at": 1789011495}, "tier": 1, "alerts": [], "total_sd": 0.223, "total_ci95": [58.397, 59.235], "relegate_reason": [], "submitted_at": 1789008731, "scored_at": 1789011495, "rank": 1013}, {"candidate_id": "ODC-DB53EB", "res_at": 1787628464, "skeleton": "NROYJYIGNYYTEB", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.889, "axes": {"activity": 30.0, "binding": 9.69, "selectivity": 0.4, "admet": 9.27, "novelty": 7.61, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 6.412, "fraction": 1.0}, "binding": {"pIC50": 6.47, "LE": 0.296, "potency_term": 0.492, "efficiency_cap": 0.986}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.618, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.726, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.746, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 4.65}}, "run": {"gpu": "3", "pAct_q10": 6.411784522703955, "aff_pf": -0.4745972851912181, "aff_hs": -0.3939568102359772, "repeats_pf": {"runs": 3, "values": [-0.5868, -0.3895, -0.4474], "mean": -0.4746, "spread": 0.1973}, "repeats_hs": {"runs": 3, "values": [-0.3884, -0.3582, -0.4353], "mean": -0.394, "spread": 0.0771}, "at": 1787628464}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621896, "scored_at": 1787628464, "alerts": [], "rank": 1014}, {"candidate_id": "ODC-12A2C4", "res_at": 1787222282, "skeleton": "KLBLASPTJHNXKD", "hf_user": "takutoyo", "display_name": "PfD9-B5", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1F", "total": 58.885, "axes": {"activity": 11.17, "binding": 17.98, "selectivity": 11.25, "admet": 9.18, "novelty": 6.17, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 7.7, "LE": 0.439, "potency_term": 0.899, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.626, "target_engagement": 0.899}, "admet": {"geometric_mean": 0.681, "per_endpoint": {"solubility-aqsoldb": 0.689, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.628, "cyp3a4-substrate-carbonmangels": 0.657, "ld50-zhu": 0.447, "herg": 1.0, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.270245487380773, "aff_pf": -1.697636882464091, "aff_hs": -0.4461555778980255, "repeats_pf": {"runs": 3, "values": [-1.6995, -1.7409, -1.6525], "mean": -1.6976, "spread": 0.0884}, "repeats_hs": {"runs": 3, "values": [-0.426, -0.5123, -0.4002], "mean": -0.4462, "spread": 0.1122}, "at": 1787222282}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218693, "scored_at": 1787222282, "rank": 1015}, {"candidate_id": "ODC-257D8E", "res_at": 1786984323, "skeleton": "ZVHQUYPGYUVBED", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-03", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.884, "axes": {"activity": 9.51, "binding": 17.68, "selectivity": 17.3, "admet": 5.43, "novelty": 5.22, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.171, "fraction": 0.317}, "binding": {"pIC50": 7.65, "LE": 0.476, "potency_term": 0.884, "efficiency_cap": 1.0}, "selectivity": {"fold": 90.6, "selectivity_term": 0.979, "target_engagement": 0.884}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.883, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.49, "ld50-zhu": 0.359, "herg": 0.336, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.170807245064414, "aff_pf": -1.6516618728637695, "aff_hs": 0.3054436147212982, "repeats_pf": {"runs": 3, "values": [-1.6663, -1.7065, -1.5822], "mean": -1.6517, "spread": 0.1243}, "repeats_hs": {"runs": 3, "values": [0.1927, 0.4417, 0.2818], "mean": 0.3054, "spread": 0.249}, "at": 1786984323}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980705, "scored_at": 1786984323, "alerts": [], "rank": 1016}, {"candidate_id": "ODC-201D68", "res_at": 1789010353, "skeleton": "LVOQJEIOCBGDON", "hf_user": "Bio-JS", "display_name": "0910c-S1-10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 58.884, "axes": {"activity": 11.99, "binding": 16.51, "selectivity": 16.51, "admet": 6.52, "novelty": 3.78, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.32, "fraction": 0.4}, "binding": {"pIC50": 7.48, "LE": 0.445, "potency_term": 0.826, "efficiency_cap": 1.0}, "selectivity": {"fold": 133.1, "selectivity_term": 1.0, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.332, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.456, "herg": 0.802, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.319638382183476, "aff_pf": -1.476602554321289, "aff_hs": 0.6474620699882507, "repeats_pf": {"runs": 3, "values": [-1.4136, -1.566, -1.4502], "mean": -1.4766, "spread": 0.1523}, "repeats_hs": {"runs": 3, "values": [0.5564, 0.6642, 0.7217], "mean": 0.6475, "spread": 0.1653}, "at": 1789010353}, "tier": 1, "alerts": [], "total_sd": 0.75, "total_ci95": [57.691, 60.577], "relegate_reason": [], "submitted_at": 1789006235, "scored_at": 1789010353, "rank": 1017}, {"candidate_id": "ODC-F98270", "res_at": 1789882919, "skeleton": "VIWAFNATTAGWRQ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 58.882, "axes": {"activity": 22.87, "binding": 15.85, "selectivity": 7.26, "admet": 5.04, "novelty": 4.59, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.972, "fraction": 0.762}, "binding": {"pIC50": 7.38, "LE": 0.389, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.458, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.443, "herg": 0.331, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.972368589802725, "aff_pf": -1.3769418001174927, "aff_hs": -0.4611823360125224, "repeats_pf": {"runs": 3, "values": [-1.3852, -1.3651, -1.3805], "mean": -1.3769, "spread": 0.0201}, "repeats_hs": {"runs": 3, "values": [-0.5023, -0.4283, -0.4529], "mean": -0.4612, "spread": 0.0739}, "at": 1789882919}, "tier": 1, "alerts": [], "total_sd": 0.188, "total_ci95": [58.532, 59.196], "relegate_reason": [], "submitted_at": 1789657751, "scored_at": 1789882919, "rank": 1018}, {"candidate_id": "ODC-B0455E", "res_at": 1788477372, "skeleton": "JRSKCKKKRDJKIN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R160-11", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········l)CC1", "total": 58.854, "axes": {"activity": 17.45, "binding": 16.35, "selectivity": 12.48, "admet": 4.21, "novelty": 4.86, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.647, "fraction": 0.582}, "binding": {"pIC50": 7.45, "LE": 0.319, "potency_term": 0.818, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.517, "caco2-wang": 0.393, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.107, "dili": 0.398}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.647038405871785, "aff_pf": -1.4527631998062134, "aff_hs": 0.07416848838329315, "repeats_pf": {"runs": 3, "values": [-1.4569, -1.4477, -1.4537], "mean": -1.4528, "spread": 0.0092}, "repeats_hs": {"runs": 3, "values": [-0.069, 0.0724, 0.2191], "mean": 0.0742, "spread": 0.2881}, "at": 1788477372}, "tier": 1, "alerts": [], "total_sd": 0.556, "total_ci95": [57.71, 60.039], "relegate_reason": [], "submitted_at": 1788414315, "scored_at": 1788477372, "rank": 1019}, {"candidate_id": "ODC-6EDF24", "res_at": 1788148118, "skeleton": "HMKYJPBANWKOJF", "hf_user": "Bio-JS", "display_name": "P4 음성대조 아닐린 오쏘 2-F 추가", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.853, "axes": {"activity": 20.17, "binding": 15.29, "selectivity": 10.58, "admet": 5.04, "novelty": 4.41, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.81, "fraction": 0.672}, "binding": {"pIC50": 7.29, "LE": 0.416, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.2, "selectivity_term": 0.692, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.345, "herg": 0.466, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.8100822254908655, "aff_pf": -1.2939099470774333, "aff_hs": 0.08996628224849701, "repeats_pf": {"runs": 3, "values": [-1.3501, -1.2868, -1.2449], "mean": -1.2939, "spread": 0.1052}, "repeats_hs": {"runs": 3, "values": [0.1567, -0.0885, 0.2016], "mean": 0.09, "spread": 0.2901}, "at": 1788148118}, "tier": 1, "alerts": [], "total_sd": 0.844, "total_ci95": [57.382, 60.467], "relegate_reason": [], "submitted_at": 1788139356, "scored_at": 1788148118, "rank": 1020}, {"candidate_id": "ODC-6F465C", "res_at": 1789623868, "skeleton": "SXEBCDMCXOCJKS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.851, "axes": {"activity": 19.09, "binding": 17.76, "selectivity": 8.35, "admet": 5.93, "novelty": 4.44, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.745, "fraction": 0.636}, "binding": {"pIC50": 7.66, "LE": 0.42, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.404, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.316, "herg": 0.232, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 5.745264619823481, "aff_pf": -1.6635217666625977, "aff_hs": -0.7235799233118693, "repeats_pf": {"runs": 3, "values": [-1.728, -1.6553, -1.6072], "mean": -1.6635, "spread": 0.1208}, "repeats_hs": {"runs": 3, "values": [-1.1424, -0.5061, -0.5223], "mean": -0.7236, "spread": 0.6363}, "at": 1789623868}, "tier": 1, "alerts": [], "total_sd": 1.649, "total_ci95": [55.677, 61.726], "relegate_reason": [], "submitted_at": 1789619351, "scored_at": 1789623868, "rank": 1021}, {"candidate_id": "ODC-70C52D", "res_at": 1787056541, "skeleton": "BEJFMXJNEQEDIE", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.848, "axes": {"activity": 20.64, "binding": 15.52, "selectivity": 10.19, "admet": 5.16, "novelty": 4.08, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.838, "fraction": 0.688}, "binding": {"pIC50": 7.33, "LE": 0.418, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 0.488, "ld50-zhu": 0.415, "herg": 0.611, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.838241030252342, "aff_pf": -1.3283212184906006, "aff_hs": -0.015141531825065613, "repeats_pf": {"runs": 3, "values": [-1.3208, -1.3459, -1.3183], "mean": -1.3283, "spread": 0.0276}, "repeats_hs": {"runs": 3, "values": [-0.1903, -0.0267, 0.1715], "mean": -0.0151, "spread": 0.3618}, "at": 1787056541}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055726, "scored_at": 1787056541, "alerts": [], "rank": 1022}, {"candidate_id": "ODC-D289CD", "res_at": 1788548005, "skeleton": "HIXRYMAEYNXJGR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 58.848, "axes": {"activity": 12.13, "binding": 17.18, "selectivity": 15.5, "admet": 6.55, "novelty": 3.62, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.404}, "binding": {"pIC50": 7.58, "LE": 0.451, "potency_term": 0.859, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.8, "selectivity_term": 0.902, "target_engagement": 0.859}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.531, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.714, "cyp3a4-substrate-carbonmangels": 0.052, "ld50-zhu": 0.317, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.327660193625348, "aff_pf": -1.5765222708384197, "aff_hs": 0.2283127357562383, "repeats_pf": {"runs": 3, "values": [-1.6231, -1.5206, -1.5859], "mean": -1.5765, "spread": 0.1026}, "repeats_hs": {"runs": 3, "values": [0.2763, 0.1525, 0.2561], "mean": 0.2283, "spread": 0.1237}, "at": 1788548005}, "tier": 1, "alerts": [], "total_sd": 0.701, "total_ci95": [57.589, 60.402], "relegate_reason": [], "submitted_at": 1788495860, "scored_at": 1788548005, "rank": 1023}, {"candidate_id": "ODC-609C31", "res_at": 1786964570, "skeleton": "NIGLTEYVPCFSAP", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 58.81, "axes": {"activity": 18.35, "binding": 16.53, "selectivity": 11.15, "admet": 5.05, "novelty": 4.13, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.701, "fraction": 0.612}, "binding": {"pIC50": 7.48, "LE": 0.427, "potency_term": 0.826, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.891, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.282, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.70099860008476, "aff_pf": -1.4790871143341064, "aff_hs": -0.12959425151348114, "repeats_pf": {"runs": 3, "values": [-1.4651, -1.5019, -1.4702], "mean": -1.4791, "spread": 0.0369}, "repeats_hs": {"runs": 3, "values": [-0.1814, -0.0816, -0.1258], "mean": -0.1296, "spread": 0.0997}, "at": 1786964570}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964369, "scored_at": 1786964570, "alerts": [], "rank": 1024}, {"candidate_id": "ODC-0032A0", "res_at": 1787881865, "skeleton": "RYOMNYQGYPGOBW", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L10", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 58.799, "axes": {"activity": 24.77, "binding": 16.06, "selectivity": 5.02, "admet": 4.04, "novelty": 5.71, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 6.086, "fraction": 0.826}, "binding": {"pIC50": 7.41, "LE": 0.39, "potency_term": 0.803, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.803}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.891, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.086417964107557, "aff_pf": -1.4091145992279053, "aff_hs": -0.7844065626462301, "repeats_pf": {"runs": 3, "values": [-1.2831, -1.4877, -1.4566], "mean": -1.4091, "spread": 0.2047}, "repeats_hs": {"runs": 3, "values": [-0.8202, -0.5643, -0.9687], "mean": -0.7844, "spread": 0.4044}, "at": 1787881865}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822337, "scored_at": 1787881865, "alerts": [], "rank": 1025}, {"candidate_id": "ODC-B7BB82", "res_at": 1789915980, "skeleton": "GXDVVANTTWMLLA", "hf_user": "Ku-ku", "display_name": "KK-M-0920-566", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 58.786, "axes": {"activity": 23.78, "binding": 16.31, "selectivity": 6.39, "admet": 4.03, "novelty": 5.48, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 6.027, "fraction": 0.793}, "binding": {"pIC50": 7.45, "LE": 0.378, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.489, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.903, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "2", "pAct_q10": 6.026555124348434, "aff_pf": -1.4462847709655762, "aff_hs": -0.6631031235059103, "repeats_pf": {"runs": 3, "values": [-1.4215, -1.4375, -1.4798], "mean": -1.4463, "spread": 0.0583}, "repeats_hs": {"runs": 3, "values": [-0.7193, -0.6254, -0.6446], "mean": -0.6631, "spread": 0.0939}, "at": 1789915980}, "tier": 1, "alerts": [], "total_sd": 0.369, "total_ci95": [58.097, 59.481], "relegate_reason": [], "submitted_at": 1789885832, "scored_at": 1789915980, "rank": 1026}, {"candidate_id": "ODC-DA72D1", "res_at": 1789311781, "skeleton": "ZZWIYLJWVDEBDX", "hf_user": "trblnfxn", "display_name": "NC-BRG-01_MW400_PrAm", "model_name": "Hermes-MWBridge-v8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 58.78, "axes": {"activity": 24.23, "binding": 11.55, "selectivity": 10.0, "admet": 4.77, "novelty": 4.54, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.054, "fraction": 0.808}, "binding": {"pIC50": 6.73, "LE": 0.342, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.8, "selectivity_term": 0.865, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.585, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.457, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 6.053800090830782, "aff_pf": -0.7328130404154459, "aff_hs": 0.9978033304214478, "repeats_pf": {"runs": 3, "values": [-0.7678, -0.6955, -0.7351], "mean": -0.7328, "spread": 0.0723}, "repeats_hs": {"runs": 3, "values": [0.9616, 1.1353, 0.8964], "mean": 0.9978, "spread": 0.2389}, "at": 1789311781}, "tier": 1, "alerts": [], "total_sd": 0.432, "total_ci95": [58.0, 59.574], "relegate_reason": [], "submitted_at": 1789309890, "scored_at": 1789311781, "rank": 1027}, {"candidate_id": "ODC-222532", "res_at": 1787083741, "skeleton": "ONKOROVEYOSSNY", "hf_user": "1Dmeds", "display_name": "ODC26-MB-32", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 58.753, "axes": {"activity": 23.44, "binding": 14.16, "selectivity": 8.69, "admet": 5.44, "novelty": 3.97, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 6.006, "fraction": 0.781}, "binding": {"pIC50": 7.12, "LE": 0.349, "potency_term": 0.708, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.614, "target_engagement": 0.708}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.258, "cyp3a4-substrate-carbonmangels": 0.522, "ld50-zhu": 0.709, "herg": 0.324, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 6.006385276539708, "aff_pf": -1.1236671209335327, "aff_hs": 0.10345904032389323, "repeats_pf": {"runs": 3, "values": [-1.0931, -1.1404, -1.1375], "mean": -1.1237, "spread": 0.0473}, "repeats_hs": {"runs": 3, "values": [-0.022, 0.2413, 0.0911], "mean": 0.1035, "spread": 0.2633}, "at": 1787083741}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069829, "scored_at": 1787083741, "alerts": [], "rank": 1028}, {"candidate_id": "ODC-FE6F60", "res_at": 1789384362, "skeleton": "FREZXADDOKBXBS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 58.686, "axes": {"activity": 16.17, "binding": 16.05, "selectivity": 14.53, "admet": 4.13, "novelty": 4.13, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.41, "LE": 0.39, "potency_term": 0.802, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.6, "selectivity_term": 0.905, "target_engagement": 0.802}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.736, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.465, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.570093957476622, "aff_pf": -1.4072736899058025, "aff_hs": 0.40306228399276733, "repeats_pf": {"runs": 3, "values": [-1.3944, -1.4079, -1.4194], "mean": -1.4073, "spread": 0.025}, "repeats_hs": {"runs": 3, "values": [0.3529, 0.4346, 0.4217], "mean": 0.4031, "spread": 0.0817}, "at": 1789384362}, "tier": 1, "alerts": [], "total_sd": 0.234, "total_ci95": [58.253, 59.183], "relegate_reason": [], "submitted_at": 1789366033, "scored_at": 1789384362, "rank": 1029}, {"candidate_id": "ODC-F78596", "res_at": 1787645230, "skeleton": "RSPVERXXOGMGRS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.677, "axes": {"activity": 30.0, "binding": 11.56, "selectivity": 0.0, "admet": 8.01, "novelty": 7.56, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 6.543, "fraction": 1.0}, "binding": {"pIC50": 6.73, "LE": 0.308, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.911, "cyp2c9-veith": 0.873, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.735, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 4.92}}, "run": {"gpu": "3", "pAct_q10": 6.542945506365176, "aff_pf": -0.7343563040097555, "aff_hs": -0.8758311867713928, "repeats_pf": {"runs": 3, "values": [-0.7431, -0.7504, -0.7096], "mean": -0.7344, "spread": 0.0408}, "repeats_hs": {"runs": 3, "values": [-0.9803, -0.9267, -0.7205], "mean": -0.8758, "spread": 0.2598}, "at": 1787645230}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641281, "scored_at": 1787645230, "alerts": [], "rank": 1030}, {"candidate_id": "ODC-73A409", "res_at": 1787997994, "skeleton": "ATKJVLYZQKUAFG", "hf_user": "Ku-ku", "display_name": "KK-M-0829-071", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········)CCC2", "total": 58.677, "axes": {"activity": 25.02, "binding": 14.45, "selectivity": 5.83, "admet": 4.17, "novelty": 6.11, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 6.101, "fraction": 0.834}, "binding": {"pIC50": 7.17, "LE": 0.378, "potency_term": 0.723, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.723}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.141, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.453, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 6.100927916101892, "aff_pf": -1.16802978515625, "aff_hs": -0.3619458278020223, "repeats_pf": {"runs": 3, "values": [-1.2112, -1.185, -1.1078], "mean": -1.168, "spread": 0.1034}, "repeats_hs": {"runs": 3, "values": [-0.3198, -0.4024, -0.3636], "mean": -0.3619, "spread": 0.0826}, "at": 1787997994}, "tier": 1, "alerts": [], "total_sd": 0.452, "total_ci95": [57.793, 59.507], "relegate_reason": [], "submitted_at": 1787972504, "scored_at": 1787997994, "rank": 1031}, {"candidate_id": "ODC-38AA1C", "res_at": 1787906514, "skeleton": "BTZWDXCCFKCEKA", "hf_user": "Bio-JS", "display_name": "A6 메타-F x 사이클로프로판/메틸/설폰 (짝 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 58.676, "axes": {"activity": 22.04, "binding": 13.44, "selectivity": 11.82, "admet": 3.28, "novelty": 5.0, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.922, "fraction": 0.735}, "binding": {"pIC50": 7.21, "LE": 0.274, "potency_term": 0.735, "efficiency_cap": 0.914}, "selectivity": {"fold": 40.5, "selectivity_term": 0.804, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.436, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.106}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.922262166170327, "aff_pf": -1.2050329844156902, "aff_hs": 0.402850608030955, "repeats_pf": {"runs": 3, "values": [-1.316, -1.2307, -1.0684], "mean": -1.205, "spread": 0.2476}, "repeats_hs": {"runs": 3, "values": [0.4226, 0.5116, 0.2744], "mean": 0.4029, "spread": 0.2372}, "at": 1787906514}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897138, "scored_at": 1787906514, "alerts": [], "rank": 1032}, {"candidate_id": "ODC-FA4A99", "res_at": 1787083898, "skeleton": "AACFSXSDXVAMJV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.673, "axes": {"activity": 13.84, "binding": 15.85, "selectivity": 15.85, "admet": 5.7, "novelty": 4.17, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 7.38, "LE": 0.459, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 131.7, "selectivity_term": 1.0, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.455, "ld50-zhu": 0.439, "herg": 0.457, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.4303357283199825, "aff_pf": -1.3782025973002117, "aff_hs": 0.7413533131281534, "repeats_pf": {"runs": 3, "values": [-1.4467, -1.3224, -1.3655], "mean": -1.3782, "spread": 0.1243}, "repeats_hs": {"runs": 3, "values": [0.7553, 0.7366, 0.7321], "mean": 0.7414, "spread": 0.0231}, "at": 1787083898}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074016, "scored_at": 1787083898, "alerts": [], "rank": 1033}, {"candidate_id": "ODC-00A2E4", "res_at": 1789341350, "skeleton": "IXWJWYSBFYLOIP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 58.651, "axes": {"activity": 15.05, "binding": 16.73, "selectivity": 14.78, "admet": 4.51, "novelty": 4.25, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 7.51, "LE": 0.381, "potency_term": 0.836, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.5, "selectivity_term": 0.883, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.381, "ld50-zhu": 0.523, "herg": 0.171, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.50306848337394, "aff_pf": -1.508843183517456, "aff_hs": 0.25806938111782074, "repeats_pf": {"runs": 3, "values": [-1.545, -1.4716, -1.5099], "mean": -1.5088, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.2924, 0.3017, 0.1801], "mean": 0.2581, "spread": 0.1215}, "at": 1789341350}, "tier": 1, "alerts": [], "total_sd": 0.51, "total_ci95": [57.688, 59.599], "relegate_reason": [], "submitted_at": 1789339959, "scored_at": 1789341350, "rank": 1034}, {"candidate_id": "ODC-1D2B91", "res_at": 1787083364, "skeleton": "GBOILUXABYLDOW", "hf_user": "1Dmeds", "display_name": "ODC26-MB-30", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 58.625, "axes": {"activity": 21.4, "binding": 15.75, "selectivity": 7.13, "admet": 6.12, "novelty": 4.92, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.884, "fraction": 0.713}, "binding": {"pIC50": 7.36, "LE": 0.42, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 0.552, "ld50-zhu": 0.477, "herg": 0.568, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.8839461516087175, "aff_pf": -1.362976868947347, "aff_hs": -0.4582996467749278, "repeats_pf": {"runs": 3, "values": [-1.3562, -1.4095, -1.3232], "mean": -1.363, "spread": 0.0863}, "repeats_hs": {"runs": 3, "values": [-0.2083, -0.5573, -0.6093], "mean": -0.4583, "spread": 0.401}, "at": 1787083364}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069814, "scored_at": 1787083364, "alerts": [], "rank": 1035}, {"candidate_id": "ODC-B9EF99", "res_at": 1787910176, "skeleton": "OGKSUXSLEMTOIS", "hf_user": "Bio-JS", "display_name": "A5 메타-F x 옥세탄/메틸/설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 58.616, "axes": {"activity": 19.74, "binding": 15.26, "selectivity": 11.61, "admet": 3.66, "novelty": 5.28, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.784, "fraction": 0.658}, "binding": {"pIC50": 7.48, "LE": 0.277, "potency_term": 0.826, "efficiency_cap": 0.923}, "selectivity": {"fold": 25.4, "selectivity_term": 0.702, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.418, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.323, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.784408185047081, "aff_pf": -1.4792130788167317, "aff_hs": -0.07486006120840709, "repeats_pf": {"runs": 3, "values": [-1.3556, -1.5512, -1.5307], "mean": -1.4792, "spread": 0.1956}, "repeats_hs": {"runs": 3, "values": [0.0304, -0.1798, -0.0751], "mean": -0.0749, "spread": 0.2102}, "at": 1787910176}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897113, "scored_at": 1787910176, "alerts": [], "rank": 1036}, {"candidate_id": "ODC-7C9FC1", "res_at": 1789890230, "skeleton": "ULTAYGZUIKYQEB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 58.611, "axes": {"activity": 25.85, "binding": 13.55, "selectivity": 5.49, "admet": 5.06, "novelty": 5.1, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 6.151, "fraction": 0.862}, "binding": {"pIC50": 7.03, "LE": 0.357, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.405, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.426, "ld50-zhu": 0.349, "herg": 0.224, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 6.151173755225703, "aff_pf": -1.0329771637916565, "aff_hs": -0.22273767491181692, "repeats_pf": {"runs": 3, "values": [-1.0741, -1.0719, -0.9529], "mean": -1.033, "spread": 0.1211}, "repeats_hs": {"runs": 3, "values": [-0.2013, -0.2429, -0.224], "mean": -0.2227, "spread": 0.0417}, "at": 1789890230}, "tier": 1, "alerts": [], "total_sd": 0.536, "total_ci95": [57.34, 59.365], "relegate_reason": [], "submitted_at": 1789657779, "scored_at": 1789890230, "rank": 1037}, {"candidate_id": "ODC-F57049", "res_at": 1787565262, "skeleton": "LHQGPHIFFVQWMC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.588, "axes": {"activity": 28.74, "binding": 10.64, "selectivity": 0.92, "admet": 9.0, "novelty": 7.39, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 6.324, "fraction": 0.958}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.627, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.959, "cyp2c9-veith": 0.994, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.229, "novelty": 0.771}, "synthesis": {"sa_score": 4.61}}, "run": {"gpu": "3", "pAct_q10": 6.324123649423566, "aff_pf": -0.5957897106806437, "aff_hs": -0.4232083559036255, "repeats_pf": {"runs": 3, "values": [-0.5814, -0.5733, -0.6327], "mean": -0.5958, "spread": 0.0593}, "repeats_hs": {"runs": 3, "values": [-0.3567, -0.4771, -0.4358], "mean": -0.4232, "spread": 0.1205}, "at": 1787565262}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556944, "scored_at": 1787565262, "alerts": [], "rank": 1038}, {"candidate_id": "ODC-2D5BB9", "res_at": 1789532319, "skeleton": "IDRQHCSRNPIFJS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.572, "axes": {"activity": 10.46, "binding": 17.19, "selectivity": 17.12, "admet": 5.73, "novelty": 4.52, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.228, "fraction": 0.349}, "binding": {"pIC50": 7.58, "LE": 0.399, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 98.2, "selectivity_term": 0.996, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.227518215186094, "aff_pf": -1.5787856976191204, "aff_hs": 0.4134039084116618, "repeats_pf": {"runs": 3, "values": [-1.5926, -1.5654, -1.5784], "mean": -1.5788, "spread": 0.0272}, "repeats_hs": {"runs": 3, "values": [0.461, 0.4043, 0.3749], "mean": 0.4134, "spread": 0.0861}, "at": 1789532319}, "tier": 1, "alerts": [], "total_sd": 0.201, "total_ci95": [58.124, 58.897], "relegate_reason": [], "submitted_at": 1789524877, "scored_at": 1789532319, "rank": 1039}, {"candidate_id": "ODC-B5BB54", "res_at": 1788070219, "skeleton": "ZJTYUWWREJQMFS", "hf_user": "Bio-JS", "display_name": "30 챔피언(61.59) x 팔4", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 58.556, "axes": {"activity": 18.59, "binding": 16.1, "selectivity": 12.45, "admet": 3.06, "novelty": 5.37, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.62}, "binding": {"pIC50": 7.63, "LE": 0.275, "potency_term": 0.877, "efficiency_cap": 0.917}, "selectivity": {"fold": 26.2, "selectivity_term": 0.709, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.715321321575148, "aff_pf": -1.632275938987732, "aff_hs": -0.21333654721577963, "repeats_pf": {"runs": 3, "values": [-1.6992, -1.6379, -1.5597], "mean": -1.6323, "spread": 0.1395}, "repeats_hs": {"runs": 3, "values": [-0.5115, -0.087, -0.0416], "mean": -0.2133, "spread": 0.4699}, "at": 1788070219}, "tier": 1, "alerts": [], "total_sd": 1.416, "total_ci95": [55.934, 61.381], "relegate_reason": [], "submitted_at": 1788017563, "scored_at": 1788070219, "rank": 1040}, {"candidate_id": "ODC-4CB392", "res_at": 1789622272, "skeleton": "SAYLGOSBTQSLRW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 58.547, "axes": {"activity": 16.69, "binding": 18.28, "selectivity": 9.02, "admet": 6.04, "novelty": 4.25, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 5.602, "fraction": 0.556}, "binding": {"pIC50": 7.74, "LE": 0.442, "potency_term": 0.914, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.914}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.359, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.601567817525604, "aff_pf": -1.7420517603556316, "aff_hs": -0.7552451690038046, "repeats_pf": {"runs": 3, "values": [-1.8194, -1.6148, -1.7919], "mean": -1.7421, "spread": 0.2046}, "repeats_hs": {"runs": 3, "values": [-0.5174, -0.5455, -1.2028], "mean": -0.7552, "spread": 0.6854}, "at": 1789622272}, "tier": 1, "alerts": [], "total_sd": 2.231, "total_ci95": [53.505, 62.367], "relegate_reason": [], "submitted_at": 1789619101, "scored_at": 1789622272, "rank": 1041}, {"candidate_id": "ODC-B3A0D0", "res_at": 1787871770, "skeleton": "AIBQTIYGJODGQX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.488, "axes": {"activity": 14.33, "binding": 18.08, "selectivity": 10.9, "admet": 6.93, "novelty": 4.36, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.46, "fraction": 0.478}, "binding": {"pIC50": 7.71, "LE": 0.459, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.1, "selectivity_term": 0.603, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.493, "cyp3a4-substrate-carbonmangels": 0.182, "ld50-zhu": 0.414, "herg": 0.837, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.4595158436002595, "aff_pf": -1.7119247913360596, "aff_hs": -0.5060772399107615, "repeats_pf": {"runs": 3, "values": [-1.6968, -1.7016, -1.7373], "mean": -1.7119, "spread": 0.0405}, "repeats_hs": {"runs": 3, "values": [-0.45, -0.3065, -0.7617], "mean": -0.5061, "spread": 0.4552}, "at": 1787856529}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800754, "scored_at": 1787856529, "alerts": [], "rank": 1042}, {"candidate_id": "ODC-2423BC", "res_at": 1787081843, "skeleton": "ABFCUNWUGKYHAA", "hf_user": "1Dmeds", "display_name": "ODC26-MB-05", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.471, "axes": {"activity": 17.67, "binding": 18.31, "selectivity": 8.35, "admet": 6.01, "novelty": 4.09, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 5.66, "fraction": 0.589}, "binding": {"pIC50": 7.75, "LE": 0.425, "potency_term": 0.916, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.456, "target_engagement": 0.916}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.429, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.660376711681542, "aff_pf": -1.7465901772181194, "aff_hs": -0.8344666759173075, "repeats_pf": {"runs": 3, "values": [-1.7502, -1.7842, -1.7054], "mean": -1.7466, "spread": 0.0788}, "repeats_hs": {"runs": 3, "values": [-0.7437, -1.195, -0.5647], "mean": -0.8345, "spread": 0.6303}, "at": 1787081843}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069605, "scored_at": 1787081843, "alerts": [], "rank": 1043}, {"candidate_id": "ODC-B52AC9", "res_at": 1789886620, "skeleton": "HXWHSKIIPOAIBD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 58.461, "axes": {"activity": 24.47, "binding": 12.7, "selectivity": 6.82, "admet": 5.75, "novelty": 5.37, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 6.068, "fraction": 0.816}, "binding": {"pIC50": 6.9, "LE": 0.338, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.587, "herg": 0.21, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 6.068057088306444, "aff_pf": -0.9046082297960917, "aff_hs": 0.1696450337767601, "repeats_pf": {"runs": 3, "values": [-0.7717, -0.8005, -1.1416], "mean": -0.9046, "spread": 0.37}, "repeats_hs": {"runs": 3, "values": [0.1151, 0.178, 0.2158], "mean": 0.1696, "spread": 0.1007}, "at": 1789886620}, "tier": 1, "alerts": [], "total_sd": 1.617, "total_ci95": [56.266, 62.491], "relegate_reason": [], "submitted_at": 1789658478, "scored_at": 1789886620, "rank": 1044}, {"candidate_id": "ODC-014FC8", "res_at": 1787572867, "skeleton": "ZLKNLXPOAQIGOE", "hf_user": "Ku-ku", "display_name": "KK-M-0824-24", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 58.435, "axes": {"activity": 27.56, "binding": 10.48, "selectivity": 6.5, "admet": 3.4, "novelty": 6.29, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 6.254, "fraction": 0.919}, "binding": {"pIC50": 6.57, "LE": 0.3, "potency_term": 0.524, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.4, "selectivity_term": 0.62, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.366, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 6.253720134984972, "aff_pf": -0.5722096165021261, "aff_hs": 0.667635957400004, "repeats_pf": {"runs": 3, "values": [-0.579, -0.6024, -0.5353], "mean": -0.5722, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [0.7276, 0.6636, 0.6117], "mean": 0.6676, "spread": 0.1159}, "at": 1787572867}, "tier": 1, "relegate_reason": [], "submitted_at": 1787572119, "scored_at": 1787572867, "alerts": [], "rank": 1045}, {"candidate_id": "ODC-F382ED", "res_at": 1787568974, "skeleton": "ZMIPYEVSDBQLRC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.407, "axes": {"activity": 28.85, "binding": 12.61, "selectivity": 0.0, "admet": 7.63, "novelty": 7.37, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 6.331, "fraction": 0.962}, "binding": {"pIC50": 6.89, "LE": 0.326, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.726, "cyp2c9-veith": 0.882, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.59}}, "run": {"gpu": "3", "pAct_q10": 6.33129994761651, "aff_pf": -0.8916012446085612, "aff_hs": -0.9065436919530233, "repeats_pf": {"runs": 3, "values": [-0.8746, -0.8862, -0.914], "mean": -0.8916, "spread": 0.0395}, "repeats_hs": {"runs": 3, "values": [-0.8934, -0.7974, -1.0289], "mean": -0.9065, "spread": 0.2315}, "at": 1787568974}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566828, "scored_at": 1787568974, "alerts": [], "rank": 1046}, {"candidate_id": "ODC-5DAA14", "res_at": 1786933661, "skeleton": "QKDMOWVRNNADNM", "hf_user": "choa712", "display_name": "LUCY-P13", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 58.398, "axes": {"activity": 20.08, "binding": 13.5, "selectivity": 13.42, "admet": 4.78, "novelty": 3.7, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.805, "fraction": 0.669}, "binding": {"pIC50": 7.02, "LE": 0.401, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 97.3, "selectivity_term": 0.994, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.445, "herg": 0.887, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.805027741227109, "aff_pf": -1.02429195245107, "aff_hs": 0.9638239940007528, "repeats_pf": {"runs": 3, "values": [-1.0875, -0.8467, -1.1386], "mean": -1.0243, "spread": 0.2919}, "repeats_hs": {"runs": 3, "values": [0.6914, 1.0859, 1.1141], "mean": 0.9638, "spread": 0.4227}, "at": 1786933661}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925610, "scored_at": 1786933661, "alerts": [], "rank": 1047}, {"candidate_id": "ODC-DAC9CA", "res_at": 1787906908, "skeleton": "YJLCDSJGBWPHBJ", "hf_user": "Ku-ku", "display_name": "KK-M-0828-P4", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=S(c1n··········C(F)F", "total": 58.391, "axes": {"activity": 11.23, "binding": 16.95, "selectivity": 16.95, "admet": 4.96, "novelty": 5.87, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 7.54, "LE": 0.383, "potency_term": 0.847, "efficiency_cap": 1.0}, "selectivity": {"fold": 130.9, "selectivity_term": 1.0, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.517, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.98}}, "run": {"gpu": "0", "pAct_q10": 5.273521891461414, "aff_pf": -1.5419858694076538, "aff_hs": 0.5750465393066406, "repeats_pf": {"runs": 3, "values": [-1.5637, -1.5358, -1.5265], "mean": -1.542, "spread": 0.0372}, "repeats_hs": {"runs": 3, "values": [0.553, 0.656, 0.5162], "mean": 0.575, "spread": 0.1399}, "at": 1787906908}, "tier": 1, "relegate_reason": [], "submitted_at": 1787893495, "scored_at": 1787906908, "alerts": [], "rank": 1048}, {"candidate_id": "ODC-7D1447", "res_at": 1788061713, "skeleton": "QQDNIFLJNKZWCP", "hf_user": "Bio-JS", "display_name": "11 A2 2-에타이닐/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 58.391, "axes": {"activity": 20.97, "binding": 15.01, "selectivity": 11.22, "admet": 3.08, "novelty": 5.48, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.858, "fraction": 0.699}, "binding": {"pIC50": 7.5, "LE": 0.27, "potency_term": 0.833, "efficiency_cap": 0.901}, "selectivity": {"fold": 22.2, "selectivity_term": 0.673, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.858277722304393, "aff_pf": -1.4985569715499878, "aff_hs": -0.15181105335553488, "repeats_pf": {"runs": 3, "values": [-1.4777, -1.597, -1.4209], "mean": -1.4986, "spread": 0.1761}, "repeats_hs": {"runs": 3, "values": [-0.8929, 0.2429, 0.1945], "mean": -0.1518, "spread": 1.1358}, "at": 1788061713}, "tier": 1, "alerts": [], "total_sd": 2.606, "total_ci95": [53.663, 62.804], "relegate_reason": [], "submitted_at": 1788017374, "scored_at": 1788061713, "rank": 1049}, {"candidate_id": "ODC-EF3DC9", "res_at": 1786980792, "skeleton": "MHXBCDLNNTYYMG", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 58.385, "axes": {"activity": 18.91, "binding": 15.91, "selectivity": 10.44, "admet": 5.53, "novelty": 4.11, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.735, "fraction": 0.63}, "binding": {"pIC50": 7.39, "LE": 0.389, "potency_term": 0.796, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.656, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.474, "herg": 0.09, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.7346317211670215, "aff_pf": -1.3867534001668294, "aff_hs": -0.07440511882305145, "repeats_pf": {"runs": 3, "values": [-1.3374, -1.3729, -1.4499], "mean": -1.3868, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [0.1959, -0.1745, -0.2447], "mean": -0.0744, "spread": 0.4406}, "at": 1786980792}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977512, "scored_at": 1786980792, "alerts": [], "rank": 1050}, {"candidate_id": "ODC-F8E992", "res_at": 1787176167, "skeleton": "OQFRCZJDKHIWIC", "hf_user": "1Dmeds", "display_name": "ODC26-FN-24", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 58.362, "axes": {"activity": 16.72, "binding": 18.01, "selectivity": 8.85, "admet": 5.67, "novelty": 5.49, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 7.7, "LE": 0.406, "potency_term": 0.9, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.9}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.428, "herg": 0.342, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.603424493621011, "aff_pf": -1.701112151145935, "aff_hs": -0.7186952332655588, "repeats_pf": {"runs": 3, "values": [-1.7144, -1.7147, -1.6742], "mean": -1.7011, "spread": 0.0405}, "repeats_hs": {"runs": 3, "values": [-0.895, -0.8861, -0.375], "mean": -0.7187, "spread": 0.5199}, "at": 1787176167}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171821, "scored_at": 1787176167, "alerts": [], "rank": 1051}, {"candidate_id": "ODC-9E29DB", "res_at": 1786895547, "skeleton": "XACVMMOCDCNZLD", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.357, "axes": {"activity": 17.72, "binding": 15.77, "selectivity": 12.34, "admet": 5.89, "novelty": 3.18, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.591}, "binding": {"pIC50": 7.37, "LE": 0.42, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.7, "selectivity_term": 0.782, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.579, "cyp3a4-substrate-carbonmangels": 0.253, "ld50-zhu": 0.434, "herg": 0.381, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.663383004735924, "aff_pf": -1.366064230600993, "aff_hs": 0.19842847188313803, "repeats_pf": {"runs": 3, "values": [-1.3263, -1.3542, -1.4177], "mean": -1.3661, "spread": 0.0914}, "repeats_hs": {"runs": 3, "values": [0.2027, 0.1649, 0.2276], "mean": 0.1984, "spread": 0.0627}, "at": 1786895547}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890247, "scored_at": 1786895547, "alerts": [], "rank": 1052}, {"candidate_id": "ODC-6401DE", "res_at": 1789382003, "skeleton": "ITHJWYJLXIMBQN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 58.356, "axes": {"activity": 13.52, "binding": 17.06, "selectivity": 15.27, "admet": 4.49, "novelty": 4.12, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.451}, "binding": {"pIC50": 7.56, "LE": 0.414, "potency_term": 0.853, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.7, "selectivity_term": 0.895, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.438, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.411252874918071, "aff_pf": -1.558511734008789, "aff_hs": 0.2315643678108851, "repeats_pf": {"runs": 3, "values": [-1.5025, -1.5755, -1.5975], "mean": -1.5585, "spread": 0.095}, "repeats_hs": {"runs": 3, "values": [0.2101, 0.1705, 0.3141], "mean": 0.2316, "spread": 0.1436}, "at": 1789382003}, "tier": 1, "alerts": [], "total_sd": 0.669, "total_ci95": [56.728, 59.483], "relegate_reason": [], "submitted_at": 1789365822, "scored_at": 1789382003, "rank": 1053}, {"candidate_id": "ODC-4D9CD9", "res_at": 1786906197, "skeleton": "JIRLAHMYPPCZMP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.351, "axes": {"activity": 11.43, "binding": 17.99, "selectivity": 13.1, "admet": 6.97, "novelty": 4.66, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 5.286, "fraction": 0.381}, "binding": {"pIC50": 7.7, "LE": 0.527, "potency_term": 0.9, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.6, "selectivity_term": 0.728, "target_engagement": 0.9}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.317, "herg": 0.512, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.285626343959931, "aff_pf": -1.698959509531657, "aff_hs": -0.24325655897458395, "repeats_pf": {"runs": 3, "values": [-1.7364, -1.6928, -1.6677], "mean": -1.699, "spread": 0.0686}, "repeats_hs": {"runs": 3, "values": [-0.1961, -0.2661, -0.2676], "mean": -0.2433, "spread": 0.0714}, "at": 1786906197}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892654, "scored_at": 1786906197, "alerts": [], "rank": 1054}, {"candidate_id": "ODC-69470D", "res_at": 1787568588, "skeleton": "XDOSCLPJLICCES", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.35, "axes": {"activity": 27.73, "binding": 11.68, "selectivity": 1.38, "admet": 8.58, "novelty": 7.04, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 6.264, "fraction": 0.924}, "binding": {"pIC50": 6.75, "LE": 0.308, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.118, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.866, "cyp2c9-veith": 0.776, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.238, "novelty": 0.762}, "synthesis": {"sa_score": 4.54}}, "run": {"gpu": "3", "pAct_q10": 6.263971543396427, "aff_pf": -0.7526846726735433, "aff_hs": -0.5169981122016907, "repeats_pf": {"runs": 3, "values": [-0.7101, -0.8223, -0.7257], "mean": -0.7527, "spread": 0.1123}, "repeats_hs": {"runs": 3, "values": [-0.5594, -0.5147, -0.4769], "mean": -0.517, "spread": 0.0825}, "at": 1787568588}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566791, "scored_at": 1787568588, "alerts": [], "rank": 1055}, {"candidate_id": "ODC-3F63EA", "res_at": 1786964928, "skeleton": "CJBMGGNRZUKAPG", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.347, "axes": {"activity": 19.64, "binding": 17.93, "selectivity": 6.82, "admet": 5.37, "novelty": 4.48, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.778, "fraction": 0.655}, "binding": {"pIC50": 7.69, "LE": 0.458, "potency_term": 0.896, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.38, "target_engagement": 0.896}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.522, "cyp2c9-veith": 0.31, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.336, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.778334108011143, "aff_pf": -1.6893152793248494, "aff_hs": -0.9289273420969645, "repeats_pf": {"runs": 3, "values": [-1.7036, -1.7257, -1.6387], "mean": -1.6893, "spread": 0.087}, "repeats_hs": {"runs": 3, "values": [-0.9991, -0.9344, -0.8533], "mean": -0.9289, "spread": 0.1458}, "at": 1786964928}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964385, "scored_at": 1786964928, "alerts": [], "rank": 1056}, {"candidate_id": "ODC-70F8E3", "res_at": 1786934095, "skeleton": "BGCIEAAXMFWXLB", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.346, "axes": {"activity": 15.35, "binding": 17.65, "selectivity": 12.34, "admet": 5.13, "novelty": 3.85, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 7.65, "LE": 0.437, "potency_term": 0.882, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.916, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.541, "herg": 0.407, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.5208133549509775, "aff_pf": -1.6474323272705078, "aff_hs": -0.24864583710829416, "repeats_pf": {"runs": 3, "values": [-1.699, -1.6446, -1.5987], "mean": -1.6474, "spread": 0.1004}, "repeats_hs": {"runs": 3, "values": [-0.2497, -0.2565, -0.2398], "mean": -0.2486, "spread": 0.0167}, "at": 1786934095}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926431, "scored_at": 1786934095, "alerts": [], "rank": 1057}, {"candidate_id": "ODC-554BBD", "res_at": 1786954523, "skeleton": "SFOPXFQUIUUMRZ", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.335, "axes": {"activity": 15.35, "binding": 15.47, "selectivity": 14.38, "admet": 5.16, "novelty": 4.46, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 7.32, "LE": 0.456, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.3, "selectivity_term": 0.93, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.448, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.5210364860671755, "aff_pf": -1.3203779061635335, "aff_hs": 0.5389942129453024, "repeats_pf": {"runs": 3, "values": [-1.3245, -1.3113, -1.3254], "mean": -1.3204, "spread": 0.0141}, "repeats_hs": {"runs": 3, "values": [0.5247, 0.5456, 0.5467], "mean": 0.539, "spread": 0.022}, "at": 1786954523}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949098, "scored_at": 1786954523, "alerts": [], "rank": 1058}, {"candidate_id": "ODC-DB1CF3", "res_at": 1787524000, "skeleton": "UBFBOSMCAUMFHZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 58.331, "axes": {"activity": 20.37, "binding": 15.5, "selectivity": 9.22, "admet": 5.32, "novelty": 4.92, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.822, "fraction": 0.679}, "binding": {"pIC50": 7.32, "LE": 0.401, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.632, "ld50-zhu": 0.472, "herg": 0.523, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.822075904397, "aff_pf": -1.3247724771499634, "aff_hs": -0.13561424612998962, "repeats_pf": {"runs": 3, "values": [-1.3041, -1.3483, -1.3218], "mean": -1.3248, "spread": 0.0442}, "repeats_hs": {"runs": 3, "values": [-0.1217, -0.1546, -0.1305], "mean": -0.1356, "spread": 0.033}, "at": 1787524000}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520628, "scored_at": 1787524000, "alerts": [], "rank": 1059}, {"candidate_id": "ODC-BA7160", "res_at": 1788594367, "skeleton": "RCMVYOWTFSIKLU", "hf_user": "Bio-JS", "display_name": "0905-S1-26 SMe/F/Cl/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.317, "axes": {"activity": 15.0, "binding": 18.81, "selectivity": 9.66, "admet": 6.66, "novelty": 3.8, "synthesis": 4.39}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 7.82, "LE": 0.51, "potency_term": 0.941, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.513, "target_engagement": 0.941}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.338, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.500131902490647, "aff_pf": -1.8220868110656738, "aff_hs": -0.7955677509307861, "repeats_pf": {"runs": 3, "values": [-1.8381, -1.8127, -1.8154], "mean": -1.8221, "spread": 0.0254}, "repeats_hs": {"runs": 3, "values": [-0.8002, -0.8104, -0.7761], "mean": -0.7956, "spread": 0.0343}, "at": 1788594367}, "tier": 1, "alerts": [], "total_sd": 0.17, "total_ci95": [58.01, 58.634], "relegate_reason": [], "submitted_at": 1788560456, "scored_at": 1788594367, "rank": 1060}, {"candidate_id": "ODC-4DD1F1", "res_at": 1787627689, "skeleton": "ZIUJAIZNFDIBIB", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.31, "axes": {"activity": 28.17, "binding": 12.11, "selectivity": 1.6, "admet": 7.67, "novelty": 7.07, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 6.29, "fraction": 0.939}, "binding": {"pIC50": 6.82, "LE": 0.311, "potency_term": 0.606, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.99, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.794, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 4.74}}, "run": {"gpu": "3", "pAct_q10": 6.290183075687696, "aff_pf": -0.8167207837104797, "aff_hs": -0.5525949597358704, "repeats_pf": {"runs": 3, "values": [-0.6351, -0.9166, -0.8985], "mean": -0.8167, "spread": 0.2815}, "repeats_hs": {"runs": 3, "values": [-0.5436, -0.5473, -0.5669], "mean": -0.5526, "spread": 0.0233}, "at": 1787627689}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621869, "scored_at": 1787627689, "alerts": [], "rank": 1061}, {"candidate_id": "ODC-164A90", "res_at": 1789895558, "skeleton": "VIMQNVVJGCRYTK", "hf_user": "Ku-ku", "display_name": "KK-M-0918-081", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········1CCC2", "total": 58.296, "axes": {"activity": 16.01, "binding": 16.66, "selectivity": 9.7, "admet": 7.67, "novelty": 5.38, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.6, "selectivity_term": 0.582, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.614, "per_endpoint": {"solubility-aqsoldb": 0.64, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.89, "cyp3a4-substrate-carbonmangels": 0.539, "ld50-zhu": 0.505, "herg": 0.117, "dili": 0.297}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "0", "pAct_q10": 5.560585191389783, "aff_pf": -1.4992348353068035, "aff_hs": -0.33523232241471607, "repeats_pf": {"runs": 3, "values": [-1.4387, -1.5518, -1.5072], "mean": -1.4992, "spread": 0.1131}, "repeats_hs": {"runs": 3, "values": [-0.4735, -0.018, -0.5142], "mean": -0.3352, "spread": 0.4962}, "at": 1789895558}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.219, "total_ci95": [56.103, 60.651], "relegate_reason": [], "submitted_at": 1789664222, "scored_at": 1789895558, "rank": 1062}, {"candidate_id": "ODC-3E17C1", "res_at": 1786845366, "skeleton": "DQJOFNQAOVQXFC", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········)n2n1", "total": 58.28, "axes": {"activity": 8.03, "binding": 17.31, "selectivity": 16.46, "admet": 7.14, "novelty": 5.5, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.082, "fraction": 0.268}, "binding": {"pIC50": 7.6, "LE": 0.496, "potency_term": 0.866, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.7, "selectivity_term": 0.951, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.553, "ld50-zhu": 0.409, "herg": 0.759, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.081961305788441, "aff_pf": -1.5965476433436077, "aff_hs": 0.305121769507726, "repeats_pf": {"runs": 3, "values": [-1.6473, -1.6232, -1.5191], "mean": -1.5965, "spread": 0.1281}, "repeats_hs": {"runs": 3, "values": [0.3017, 0.3927, 0.221], "mean": 0.3051, "spread": 0.1717}, "at": 1786845366}, "tier": 1, "relegate_reason": [], "submitted_at": 1786838823, "scored_at": 1786845366, "alerts": [], "rank": 1063}, {"candidate_id": "ODC-28ADA3", "res_at": 1788230093, "skeleton": "MEZPZKXNBFUOKI", "hf_user": "Ku-ku", "display_name": "KK-M-0831-063", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········F)c1F", "total": 58.274, "axes": {"activity": 26.83, "binding": 12.65, "selectivity": 4.92, "admet": 4.66, "novelty": 6.59, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 6.21, "fraction": 0.894}, "binding": {"pIC50": 6.9, "LE": 0.337, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.683, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "3", "pAct_q10": 6.209517963043109, "aff_pf": -0.896942655245463, "aff_hs": -0.11862241725126903, "repeats_pf": {"runs": 3, "values": [-0.9204, -0.8289, -0.9415], "mean": -0.8969, "spread": 0.1126}, "repeats_hs": {"runs": 3, "values": [-0.1702, -0.1169, -0.0688], "mean": -0.1186, "spread": 0.1014}, "at": 1788230093}, "tier": 1, "alerts": [], "total_sd": 0.482, "total_ci95": [57.229, 59.078], "relegate_reason": [], "submitted_at": 1788186792, "scored_at": 1788230093, "rank": 1064}, {"candidate_id": "ODC-54B12F", "res_at": 1786901957, "skeleton": "FDLNOTWBJZQZJV", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 58.248, "axes": {"activity": 17.39, "binding": 15.63, "selectivity": 12.85, "admet": 4.84, "novelty": 3.84, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.643, "fraction": 0.58}, "binding": {"pIC50": 7.34, "LE": 0.402, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.0, "selectivity_term": 0.822, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.549, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 5.6432526874161315, "aff_pf": -1.3444963693618774, "aff_hs": 0.2993871221939723, "repeats_pf": {"runs": 3, "values": [-1.3401, -1.4156, -1.2778], "mean": -1.3445, "spread": 0.1377}, "repeats_hs": {"runs": 3, "values": [0.3603, 0.3038, 0.234], "mean": 0.2994, "spread": 0.1263}, "at": 1786901957}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899435, "scored_at": 1786901957, "alerts": [], "rank": 1065}, {"candidate_id": "ODC-7CB466", "res_at": 1787525379, "skeleton": "QNSLDLNHLWHTLN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 58.247, "axes": {"activity": 14.66, "binding": 19.39, "selectivity": 8.8, "admet": 6.4, "novelty": 5.24, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.489}, "binding": {"pIC50": 7.91, "LE": 0.451, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.911, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.565, "herg": 0.552, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.47946301313255, "aff_pf": -1.9084408283233643, "aff_hs": -1.0011606812477112, "repeats_pf": {"runs": 3, "values": [-1.9519, -1.8737, -1.8997], "mean": -1.9084, "spread": 0.0782}, "repeats_hs": {"runs": 3, "values": [-1.0656, -0.9506, -0.9873], "mean": -1.0012, "spread": 0.115}, "at": 1787525379}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520658, "scored_at": 1787525379, "alerts": [], "rank": 1066}, {"candidate_id": "ODC-36BF9D", "res_at": 1787244239, "skeleton": "DQCISHGHMZRRIZ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-05", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 58.241, "axes": {"activity": 24.77, "binding": 15.52, "selectivity": 4.17, "admet": 4.93, "novelty": 5.47, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 6.086, "fraction": 0.826}, "binding": {"pIC50": 7.33, "LE": 0.386, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.55, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.933, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.8, "herg": 0.212, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.08643618001534, "aff_pf": -1.3287022908528645, "aff_hs": -0.79207976659139, "repeats_pf": {"runs": 3, "values": [-1.3262, -1.3824, -1.2775], "mean": -1.3287, "spread": 0.1048}, "repeats_hs": {"runs": 3, "values": [-0.6754, -0.7639, -0.9369], "mean": -0.7921, "spread": 0.2615}, "at": 1787244239}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238536, "scored_at": 1787244239, "alerts": [], "rank": 1067}, {"candidate_id": "ODC-CE2181", "res_at": 1786845309, "skeleton": "WNYHCRHPDRYHNZ", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 58.222, "axes": {"activity": 8.35, "binding": 16.77, "selectivity": 16.77, "admet": 7.45, "novelty": 5.31, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 7.52, "LE": 0.49, "potency_term": 0.839, "efficiency_cap": 1.0}, "selectivity": {"fold": 122.1, "selectivity_term": 1.0, "target_engagement": 0.839}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.769, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.483, "herg": 0.947, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "1", "pAct_q10": 5.100749720142903, "aff_pf": -1.5159563223520915, "aff_hs": 0.5708451171716055, "repeats_pf": {"runs": 3, "values": [-1.5649, -1.5101, -1.4728], "mean": -1.516, "spread": 0.0921}, "repeats_hs": {"runs": 3, "values": [0.585, 0.452, 0.6756], "mean": 0.5708, "spread": 0.2235}, "at": 1786845309}, "tier": 1, "relegate_reason": [], "submitted_at": 1786838491, "scored_at": 1786845309, "alerts": [], "rank": 1068}, {"candidate_id": "ODC-7E31E9", "res_at": 1786874079, "skeleton": "GMXALHPQQHNLSH", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.219, "axes": {"activity": 15.97, "binding": 15.93, "selectivity": 12.76, "admet": 5.92, "novelty": 4.33, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.558, "fraction": 0.532}, "binding": {"pIC50": 7.39, "LE": 0.422, "potency_term": 0.797, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.9, "selectivity_term": 0.801, "target_engagement": 0.797}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.739, "ld50-zhu": 0.541, "herg": 0.329, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.558031384603947, "aff_pf": -1.3896328210830688, "aff_hs": 0.2117862949768702, "repeats_pf": {"runs": 3, "values": [-1.3308, -1.4841, -1.354], "mean": -1.3896, "spread": 0.1534}, "repeats_hs": {"runs": 3, "values": [0.2902, 0.1395, 0.2056], "mean": 0.2118, "spread": 0.1507}, "at": 1786874079}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866717, "scored_at": 1786874079, "alerts": [], "rank": 1069}, {"candidate_id": "ODC-AD7EE0", "res_at": 1786863963, "skeleton": "MYONDRXNFBHQTE", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.215, "axes": {"activity": 11.26, "binding": 18.06, "selectivity": 14.38, "admet": 6.17, "novelty": 4.59, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.276, "fraction": 0.375}, "binding": {"pIC50": 7.71, "LE": 0.44, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.1, "selectivity_term": 0.796, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.878, "ld50-zhu": 0.667, "herg": 0.57, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.275569046691614, "aff_pf": -1.7092753648757935, "aff_hs": -0.11692745486895244, "repeats_pf": {"runs": 3, "values": [-1.7244, -1.7416, -1.6618], "mean": -1.7093, "spread": 0.0798}, "repeats_hs": {"runs": 3, "values": [-0.1478, -0.0975, -0.1055], "mean": -0.1169, "spread": 0.0503}, "at": 1786863963}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856417, "scored_at": 1786863963, "alerts": [], "rank": 1070}, {"candidate_id": "ODC-A954EC", "res_at": 1786982290, "skeleton": "ZOBXYFBAVNGBIS", "hf_user": "1Dmeds", "display_name": "ODC26-R7D-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.208, "axes": {"activity": 12.85, "binding": 16.94, "selectivity": 12.79, "admet": 7.13, "novelty": 4.61, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.371, "fraction": 0.428}, "binding": {"pIC50": 7.54, "LE": 0.517, "potency_term": 0.847, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.3, "selectivity_term": 0.755, "target_engagement": 0.847}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.542, "ld50-zhu": 0.427, "herg": 0.471, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.370781659307661, "aff_pf": -1.5415322383244832, "aff_hs": -0.0319575568040212, "repeats_pf": {"runs": 3, "values": [-1.6475, -1.474, -1.5031], "mean": -1.5415, "spread": 0.1735}, "repeats_hs": {"runs": 3, "values": [0.054, -0.0387, -0.1112], "mean": -0.032, "spread": 0.1652}, "at": 1786982290}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979489, "scored_at": 1786982290, "alerts": [], "rank": 1071}, {"candidate_id": "ODC-6561A6", "res_at": 1786986603, "skeleton": "SDNDNRNKJNMCKE", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-02", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.178, "axes": {"activity": 13.64, "binding": 15.8, "selectivity": 15.8, "admet": 4.86, "novelty": 4.55, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.37, "LE": 0.459, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 118.5, "selectivity_term": 1.0, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.55, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.841, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.289, "ld50-zhu": 0.382, "herg": 0.313, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.418578863292285, "aff_pf": -1.3705666462580364, "aff_hs": 0.7030059099197388, "repeats_pf": {"runs": 3, "values": [-1.3299, -1.4014, -1.3804], "mean": -1.3706, "spread": 0.0715}, "repeats_hs": {"runs": 3, "values": [0.6115, 0.8372, 0.6603], "mean": 0.703, "spread": 0.2257}, "at": 1786986603}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980698, "scored_at": 1786986603, "alerts": [], "rank": 1072}, {"candidate_id": "ODC-504A2F", "res_at": 1787411871, "skeleton": "IFKDPAQMRVARBZ", "hf_user": "takutoyo", "display_name": "PfD14-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 58.176, "axes": {"activity": 12.8, "binding": 17.42, "selectivity": 9.9, "admet": 9.5, "novelty": 5.81, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 7.61, "LE": 0.453, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.727, "per_endpoint": {"solubility-aqsoldb": 0.732, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.667, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.62, "herg": 1.0, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 5.368202888014595, "aff_pf": -1.6131990750630696, "aff_hs": -0.4766873319943746, "repeats_pf": {"runs": 3, "values": [-1.6348, -1.6079, -1.5969], "mean": -1.6132, "spread": 0.0379}, "repeats_hs": {"runs": 3, "values": [-0.6216, -0.3988, -0.4097], "mean": -0.4767, "spread": 0.2228}, "at": 1787411871}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787407966, "scored_at": 1787411871, "rank": 1073}, {"candidate_id": "ODC-AC4DD2", "res_at": 1787083153, "skeleton": "REZKAYZAPSRTOS", "hf_user": "1Dmeds", "display_name": "ODC26-MB-25", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 58.167, "axes": {"activity": 20.95, "binding": 15.74, "selectivity": 8.82, "admet": 4.66, "novelty": 4.59, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 7.36, "LE": 0.438, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.2, "selectivity_term": 0.56, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.398, "herg": 0.647, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.857273853237535, "aff_pf": -1.360530694325765, "aff_hs": -0.23961804434657097, "repeats_pf": {"runs": 3, "values": [-1.3599, -1.3427, -1.3789], "mean": -1.3605, "spread": 0.0362}, "repeats_hs": {"runs": 3, "values": [-0.5035, -0.219, 0.0037], "mean": -0.2396, "spread": 0.5072}, "at": 1787083153}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069771, "scored_at": 1787083153, "alerts": [], "rank": 1074}, {"candidate_id": "ODC-3F399D", "res_at": 1787222656, "skeleton": "NMGQLUADRKWLCV", "hf_user": "takutoyo", "display_name": "PfD9-C2", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Si](C··········nc2n1", "total": 58.16, "axes": {"activity": 24.11, "binding": 11.42, "selectivity": 9.65, "admet": 4.78, "novelty": 5.02, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 6.046, "fraction": 0.804}, "binding": {"pIC50": 6.71, "LE": 0.354, "potency_term": 0.571, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.1, "selectivity_term": 0.846, "target_engagement": 0.571}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.358, "herg": 0.092, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.046351946164756, "aff_pf": -0.7122785051663717, "aff_hs": 0.9787377317746481, "repeats_pf": {"runs": 3, "values": [-0.6871, -0.6899, -0.7598], "mean": -0.7123, "spread": 0.0727}, "repeats_hs": {"runs": 3, "values": [1.0323, 0.9164, 0.9874], "mean": 0.9787, "spread": 0.1159}, "at": 1787222656}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218713, "scored_at": 1787222656, "alerts": [], "rank": 1075}, {"candidate_id": "ODC-1EF481", "res_at": 1788299947, "skeleton": "ZDOOXHGYORIBDJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-D-long-cpa-g-C7-3Etpentyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(CC)··········N)CC1", "total": 58.148, "axes": {"activity": 29.47, "binding": 10.31, "selectivity": 3.76, "admet": 4.02, "novelty": 6.95, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.368, "fraction": 0.982}, "binding": {"pIC50": 6.87, "LE": 0.248, "potency_term": 0.624, "efficiency_cap": 0.826}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.15, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.12, "dili": 0.266}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 6.368034955514401, "aff_pf": -0.8720721403757731, "aff_hs": -0.26970580220222473, "repeats_pf": {"runs": 3, "values": [-0.8161, -0.8232, -0.9769], "mean": -0.8721, "spread": 0.1607}, "repeats_hs": {"runs": 3, "values": [-0.4435, -0.1934, -0.1723], "mean": -0.2697, "spread": 0.2712}, "at": 1788299947}, "tier": 1, "alerts": [], "total_sd": 0.791, "total_ci95": [56.829, 59.792], "relegate_reason": [], "submitted_at": 1788271746, "scored_at": 1788299947, "rank": 1076}, {"candidate_id": "ODC-80FDCA", "res_at": 1787174859, "skeleton": "UQJWPWUSUMAVII", "hf_user": "1Dmeds", "display_name": "ODC26-FN-17", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 58.142, "axes": {"activity": 20.26, "binding": 16.43, "selectivity": 8.97, "admet": 4.42, "novelty": 4.51, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.816, "fraction": 0.675}, "binding": {"pIC50": 7.47, "LE": 0.393, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.546, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.608, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.815763680412355, "aff_pf": -1.4650116364161174, "aff_hs": -0.3735090692838033, "repeats_pf": {"runs": 3, "values": [-1.4101, -1.4932, -1.4917], "mean": -1.465, "spread": 0.0831}, "repeats_hs": {"runs": 3, "values": [-0.3677, -0.3722, -0.3806], "mean": -0.3735, "spread": 0.013}, "at": 1787174859}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171753, "scored_at": 1787174859, "alerts": [], "rank": 1077}, {"candidate_id": "ODC-F7BAF7", "res_at": 1788822488, "skeleton": "VVEVGBKEYXAWGR", "hf_user": "Ku-ku", "display_name": "KK-M-0907-368", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 58.128, "axes": {"activity": 28.98, "binding": 7.06, "selectivity": 6.57, "admet": 5.42, "novelty": 6.65, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.339, "fraction": 0.966}, "binding": {"pIC50": 6.2, "LE": 0.265, "potency_term": 0.399, "efficiency_cap": 0.884}, "selectivity": {"fold": 44.1, "selectivity_term": 0.822, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.064, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 0.811, "pgp-broccatelli": 0.929, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.618, "ld50-zhu": 0.94, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 6.338782387040384, "aff_pf": -0.19794254501660666, "aff_hs": 1.4464290142059326, "repeats_pf": {"runs": 3, "values": [-0.1761, -0.2181, -0.1997], "mean": -0.1979, "spread": 0.042}, "repeats_hs": {"runs": 3, "values": [1.3721, 1.4629, 1.5042], "mean": 1.4464, "spread": 0.1321}, "at": 1788822488}, "tier": 1, "alerts": [], "total_sd": 0.207, "total_ci95": [57.715, 58.594], "relegate_reason": [], "submitted_at": 1788786698, "scored_at": 1788822488, "rank": 1078}, {"candidate_id": "ODC-9484DC", "res_at": 1786959307, "skeleton": "XHVCYSGZXNQURG", "hf_user": "PhD-Shin", "display_name": "PhD-Shin A1", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.105, "axes": {"activity": 21.98, "binding": 13.53, "selectivity": 10.14, "admet": 5.8, "novelty": 3.18, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 7.03, "LE": 0.419, "potency_term": 0.676, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.5, "selectivity_term": 0.749, "target_engagement": 0.676}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.268, "herg": 0.888, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.919046377229081, "aff_pf": -1.0294621388117473, "aff_hs": 0.4693903426329295, "repeats_pf": {"runs": 3, "values": [-0.9699, -1.0532, -1.0653], "mean": -1.0295, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [0.494, 0.4364, 0.4778], "mean": 0.4694, "spread": 0.0575}, "at": 1786959307}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958955, "scored_at": 1786959307, "alerts": [], "rank": 1079}, {"candidate_id": "ODC-BA1B50", "res_at": 1787708450, "skeleton": "PPWBATOOYTYIRM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.091, "axes": {"activity": 28.42, "binding": 9.96, "selectivity": 2.85, "admet": 8.62, "novelty": 7.36, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 6.305, "fraction": 0.947}, "binding": {"pIC50": 6.55, "LE": 0.289, "potency_term": 0.516, "efficiency_cap": 0.965}, "selectivity": {"fold": 3.6, "selectivity_term": 0.276, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.606, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 0.94, "pgp-broccatelli": 0.623, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.233, "ld50-zhu": 0.79, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.223, "novelty": 0.777}, "synthesis": {"sa_score": 5.35}}, "run": {"gpu": "3", "pAct_q10": 6.305322577466916, "aff_pf": -0.5486825704574585, "aff_hs": 0.004032065471013387, "repeats_pf": {"runs": 3, "values": [-0.7176, -0.307, -0.6214], "mean": -0.5487, "spread": 0.4106}, "repeats_hs": {"runs": 3, "values": [0.0796, 0.0528, -0.1204], "mean": 0.004, "spread": 0.2}, "at": 1787708450}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705783, "scored_at": 1787708450, "alerts": [], "rank": 1080}, {"candidate_id": "ODC-E99277", "res_at": 1787054323, "skeleton": "LKIPGWKCRVURLU", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#CCSc1··········)n2n1", "total": 58.087, "axes": {"activity": 16.57, "binding": 16.04, "selectivity": 12.25, "admet": 4.92, "novelty": 4.86, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 7.41, "LE": 0.39, "potency_term": 0.802, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.7, "selectivity_term": 0.764, "target_engagement": 0.802}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.551, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.594432368505848, "aff_pf": -1.4052532116572063, "aff_hs": 0.12232660998900731, "repeats_pf": {"runs": 3, "values": [-1.4163, -1.4081, -1.3914], "mean": -1.4053, "spread": 0.0249}, "repeats_hs": {"runs": 3, "values": [-0.1013, 0.2425, 0.2259], "mean": 0.1223, "spread": 0.3438}, "at": 1787054323}, "tier": 1, "relegate_reason": [], "submitted_at": 1787053620, "scored_at": 1787054323, "alerts": [], "rank": 1081}, {"candidate_id": "ODC-A4E2F6", "res_at": 1789969002, "skeleton": "PQMUFZHWRIGFEB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.062, "axes": {"activity": 16.17, "binding": 18.07, "selectivity": 10.14, "admet": 6.13, "novelty": 4.28, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.71, "LE": 0.459, "potency_term": 0.903, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.2, "selectivity_term": 0.561, "target_engagement": 0.903}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.932, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.57, "herg": 0.974, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "2", "pAct_q10": 5.57024207754293, "aff_pf": -1.710057298342387, "aff_hs": -0.5879771113395691, "repeats_pf": {"runs": 3, "values": [-1.7231, -1.7538, -1.6533], "mean": -1.7101, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [-0.7732, -0.4429, -0.5479], "mean": -0.588, "spread": 0.3303}, "at": 1789969002}, "tier": 1, "alerts": [], "total_sd": 0.868, "total_ci95": [56.508, 59.894], "relegate_reason": [], "submitted_at": 1789918934, "scored_at": 1789969002, "rank": 1082}, {"candidate_id": "ODC-C34C09", "res_at": 1786933530, "skeleton": "FECWBWXYLYEYNC", "hf_user": "ipsych", "display_name": "TPZ-CH2F5-SMe-4CF3-3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 58.061, "axes": {"activity": 16.22, "binding": 16.12, "selectivity": 11.58, "admet": 6.31, "novelty": 4.3, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.573, "fraction": 0.541}, "binding": {"pIC50": 7.42, "LE": 0.407, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.556, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.56, "herg": 0.279, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.573253485410437, "aff_pf": -1.4184987147649128, "aff_hs": 0.018401304880777996, "repeats_pf": {"runs": 3, "values": [-1.4472, -1.4027, -1.4056], "mean": -1.4185, "spread": 0.0446}, "repeats_hs": {"runs": 3, "values": [-0.0211, 0.1155, -0.0393], "mean": 0.0184, "spread": 0.1548}, "at": 1786933530}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926144, "scored_at": 1786933530, "alerts": [], "rank": 1083}, {"candidate_id": "ODC-3430A1", "res_at": 1788267732, "skeleton": "ZNKXDDMLCFUIHR", "hf_user": "Ku-ku", "display_name": "KK-M-0901-300", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········nc2n1", "total": 58.046, "axes": {"activity": 28.66, "binding": 10.13, "selectivity": 5.38, "admet": 4.09, "novelty": 6.65, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.955}, "binding": {"pIC50": 6.57, "LE": 0.29, "potency_term": 0.523, "efficiency_cap": 0.968}, "selectivity": {"fold": 10.7, "selectivity_term": 0.514, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.409, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.426, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "0", "pAct_q10": 6.319561270859792, "aff_pf": -0.5699587265650431, "aff_hs": 0.45819299419720966, "repeats_pf": {"runs": 3, "values": [-0.596, -0.4743, -0.6395], "mean": -0.57, "spread": 0.1652}, "repeats_hs": {"runs": 3, "values": [0.3646, 0.6754, 0.3345], "mean": 0.4582, "spread": 0.3409}, "at": 1788267732}, "tier": 1, "alerts": [], "total_sd": 0.843, "total_ci95": [56.492, 59.537], "relegate_reason": [], "submitted_at": 1788259494, "scored_at": 1788267732, "rank": 1084}, {"candidate_id": "ODC-833A06", "res_at": 1787712753, "skeleton": "CKIPVQVWMSAOFF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 58.04, "axes": {"activity": 28.9, "binding": 11.55, "selectivity": 0.0, "admet": 8.84, "novelty": 7.36, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 6.334, "fraction": 0.963}, "binding": {"pIC50": 6.83, "LE": 0.284, "potency_term": 0.611, "efficiency_cap": 0.945}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 0.944, "pgp-broccatelli": 0.65, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.304, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.236, "novelty": 0.764}, "synthesis": {"sa_score": 4.99}}, "run": {"gpu": "3", "pAct_q10": 6.334282421256052, "aff_pf": -0.8318601250648499, "aff_hs": -0.971784750620524, "repeats_pf": {"runs": 3, "values": [-0.8034, -0.855, -0.8372], "mean": -0.8319, "spread": 0.0516}, "repeats_hs": {"runs": 3, "values": [-0.8665, -1.082, -0.9668], "mean": -0.9718, "spread": 0.2155}, "at": 1787712753}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712123, "scored_at": 1787712753, "alerts": [], "rank": 1085}, {"candidate_id": "ODC-421586", "res_at": 1786958910, "skeleton": "MYKPHGOELPMQNM", "hf_user": "amadeus0710", "display_name": "tomato", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 58.035, "axes": {"activity": 15.27, "binding": 17.46, "selectivity": 11.39, "admet": 5.61, "novelty": 4.63, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 7.62, "LE": 0.418, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.2, "selectivity_term": 0.652, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.978, "cyp2c9-veith": 0.461, "cyp3a4-substrate-carbonmangels": 0.24, "ld50-zhu": 0.438, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.516178735017546, "aff_pf": -1.619483192761739, "aff_hs": -0.3149975935618083, "repeats_pf": {"runs": 3, "values": [-1.6563, -1.7036, -1.4985], "mean": -1.6195, "spread": 0.2051}, "repeats_hs": {"runs": 3, "values": [-0.2831, -0.371, -0.2909], "mean": -0.315, "spread": 0.088}, "at": 1786958910}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958727, "scored_at": 1786958910, "alerts": [], "rank": 1086}, {"candidate_id": "ODC-92005D", "res_at": 1789009690, "skeleton": "FQVQVBPDUCJMGW", "hf_user": "Bio-JS", "display_name": "0910c-S1-08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 58.027, "axes": {"activity": 11.3, "binding": 16.65, "selectivity": 16.65, "admet": 5.63, "novelty": 4.09, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.377}, "binding": {"pIC50": 7.5, "LE": 0.447, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 129.9, "selectivity_term": 1.0, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.228, "ld50-zhu": 0.38, "herg": 0.519, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.278220557711342, "aff_pf": -1.4975894292195637, "aff_hs": 0.6160203814506531, "repeats_pf": {"runs": 3, "values": [-1.4749, -1.5102, -1.5077], "mean": -1.4976, "spread": 0.0353}, "repeats_hs": {"runs": 3, "values": [0.6422, 0.575, 0.6308], "mean": 0.616, "spread": 0.0672}, "at": 1789009690}, "tier": 1, "alerts": [], "total_sd": 0.184, "total_ci95": [57.602, 58.263], "relegate_reason": [], "submitted_at": 1789006225, "scored_at": 1789009690, "rank": 1087}, {"candidate_id": "ODC-E21907", "res_at": 1789328158, "skeleton": "PCHDYSDUYYKKPG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 58.022, "axes": {"activity": 20.15, "binding": 15.85, "selectivity": 8.93, "admet": 5.2, "novelty": 4.62, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.809, "fraction": 0.672}, "binding": {"pIC50": 7.38, "LE": 0.389, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.563, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.322, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.526, "herg": 0.177, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.809025050375963, "aff_pf": -1.378113826115926, "aff_hs": -0.2511770576238632, "repeats_pf": {"runs": 3, "values": [-1.5658, -1.3949, -1.1736], "mean": -1.3781, "spread": 0.3923}, "repeats_hs": {"runs": 3, "values": [-0.2687, -0.1918, -0.293], "mean": -0.2512, "spread": 0.1011}, "at": 1789328158}, "tier": 1, "alerts": [], "total_sd": 2.128, "total_ci95": [54.769, 62.617], "relegate_reason": [], "submitted_at": 1789318554, "scored_at": 1789328158, "rank": 1088}, {"candidate_id": "ODC-CEEBDF", "res_at": 1787414268, "skeleton": "QRDDLFSCFPWLQM", "hf_user": "takutoyo", "display_name": "PfD14-15", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 58.016, "axes": {"activity": 10.91, "binding": 17.82, "selectivity": 9.84, "admet": 11.05, "novelty": 5.52, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.255, "fraction": 0.364}, "binding": {"pIC50": 7.67, "LE": 0.438, "potency_term": 0.891, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.552, "target_engagement": 0.891}, "admet": {"geometric_mean": 0.827, "per_endpoint": {"solubility-aqsoldb": 0.663, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.947, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.61, "herg": 0.992, "dili": 0.58}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 5.254654615573798, "aff_pf": -1.673088272412618, "aff_hs": -0.5682014028231303, "repeats_pf": {"runs": 3, "values": [-1.633, -1.6656, -1.7207], "mean": -1.6731, "spread": 0.0878}, "repeats_hs": {"runs": 3, "values": [-0.5264, -0.4487, -0.7295], "mean": -0.5682, "spread": 0.2808}, "at": 1787414268}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408117, "scored_at": 1787414268, "rank": 1089}, {"candidate_id": "ODC-3A05EF", "res_at": 1786888227, "skeleton": "ZVKYXHNCUDEWDN", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.999, "axes": {"activity": 17.04, "binding": 14.86, "selectivity": 13.32, "admet": 5.24, "novelty": 4.48, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.622, "fraction": 0.568}, "binding": {"pIC50": 7.23, "LE": 0.431, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 62.0, "selectivity_term": 0.896, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.588, "ld50-zhu": 0.463, "herg": 0.638, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.622136690494928, "aff_pf": -1.2296617031097412, "aff_hs": 0.5626002649466196, "repeats_pf": {"runs": 3, "values": [-1.1715, -1.2743, -1.2432], "mean": -1.2297, "spread": 0.1028}, "repeats_hs": {"runs": 3, "values": [0.6284, 0.4968, 0.5626], "mean": 0.5626, "spread": 0.1316}, "at": 1786888227}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875290, "scored_at": 1786888227, "alerts": [], "rank": 1090}, {"candidate_id": "ODC-FDF98A", "res_at": 1788431653, "skeleton": "NWEDSYHMHVCENW", "hf_user": "Bio-JS", "display_name": "0903-S1-13 oF_mF/cPr/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.982, "axes": {"activity": 19.18, "binding": 15.3, "selectivity": 12.84, "admet": 2.98, "novelty": 5.37, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.751, "fraction": 0.639}, "binding": {"pIC50": 7.48, "LE": 0.277, "potency_term": 0.828, "efficiency_cap": 0.924}, "selectivity": {"fold": 35.5, "selectivity_term": 0.775, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.76, "herg": 0.05, "dili": 0.221}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.75087574564984, "aff_pf": -1.4849692185719807, "aff_hs": 0.06511124471823375, "repeats_pf": {"runs": 3, "values": [-1.4184, -1.5179, -1.5186], "mean": -1.485, "spread": 0.1001}, "repeats_hs": {"runs": 3, "values": [0.0576, 0.0545, 0.0832], "mean": 0.0651, "spread": 0.0286}, "at": 1788431653}, "tier": 1, "alerts": [], "total_sd": 0.696, "total_ci95": [56.994, 58.981], "relegate_reason": [], "submitted_at": 1788362772, "scored_at": 1788431653, "rank": 1091}, {"candidate_id": "ODC-4E7C08", "res_at": 1789481451, "skeleton": "SZXDAWUFGKTXRH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R2-SCF3-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 57.971, "axes": {"activity": 13.26, "binding": 17.21, "selectivity": 15.17, "admet": 3.13, "novelty": 6.05, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.396, "fraction": 0.442}, "binding": {"pIC50": 7.77, "LE": 0.28, "potency_term": 0.922, "efficiency_cap": 0.933}, "selectivity": {"fold": 44.2, "selectivity_term": 0.823, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 5.395710039343349, "aff_pf": -1.766192356745402, "aff_hs": -0.12060384700695674, "repeats_pf": {"runs": 3, "values": [-1.7869, -1.7536, -1.7581], "mean": -1.7662, "spread": 0.0333}, "repeats_hs": {"runs": 3, "values": [-0.2388, 0.0621, -0.185], "mean": -0.1206, "spread": 0.3009}, "at": 1789481451}, "tier": 1, "alerts": [], "total_sd": 0.773, "total_ci95": [56.77, 59.656], "relegate_reason": [], "submitted_at": 1789481048, "scored_at": 1789481451, "rank": 1092}, {"candidate_id": "ODC-19D602", "res_at": 1787629600, "skeleton": "LRNYUIBJIZVUHU", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········(F)C1", "total": 57.97, "axes": {"activity": 26.68, "binding": 14.68, "selectivity": 1.45, "admet": 7.02, "novelty": 6.75, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 6.201, "fraction": 0.889}, "binding": {"pIC50": 7.2, "LE": 0.329, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.099, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.621, "cyp2c9-veith": 0.935, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.718, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 4.91}}, "run": {"gpu": "3", "pAct_q10": 6.201020558070813, "aff_pf": -1.2021619478861492, "aff_hs": -1.0040780305862427, "repeats_pf": {"runs": 3, "values": [-1.2871, -1.2036, -1.1158], "mean": -1.2022, "spread": 0.1713}, "repeats_hs": {"runs": 3, "values": [-0.9231, -1.133, -0.9562], "mean": -1.0041, "spread": 0.2099}, "at": 1787629600}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621972, "scored_at": 1787629600, "alerts": [], "rank": 1093}, {"candidate_id": "ODC-48556E", "res_at": 1787242060, "skeleton": "ROXCLIDIKCNOJV", "hf_user": "Ku-ku", "display_name": "N1_5Br", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 57.969, "axes": {"activity": 24.42, "binding": 11.93, "selectivity": 8.21, "admet": 5.35, "novelty": 4.57, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.065, "fraction": 0.814}, "binding": {"pIC50": 6.79, "LE": 0.423, "potency_term": 0.596, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.8, "selectivity_term": 0.689, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.769, "ld50-zhu": 0.372, "herg": 0.847, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 6.065393136519458, "aff_pf": -0.7890082399050394, "aff_hs": 0.5884238580862681, "repeats_pf": {"runs": 3, "values": [-0.7493, -0.7624, -0.8553], "mean": -0.789, "spread": 0.106}, "repeats_hs": {"runs": 3, "values": [0.3648, 0.8777, 0.5229], "mean": 0.5884, "spread": 0.5129}, "at": 1787242060}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238137, "scored_at": 1787242060, "alerts": [], "rank": 1094}, {"candidate_id": "ODC-8054AD", "res_at": 1789437073, "skeleton": "WSEQLBBTSYRURF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 57.967, "axes": {"activity": 12.07, "binding": 16.59, "selectivity": 14.6, "admet": 5.94, "novelty": 5.28, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.324, "fraction": 0.402}, "binding": {"pIC50": 7.49, "LE": 0.41, "potency_term": 0.829, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.6, "selectivity_term": 0.88, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.878, "cyp2c9-veith": 0.531, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.558, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.324266586121987, "aff_pf": -1.4877612988154094, "aff_hs": 0.2729928096135457, "repeats_pf": {"runs": 3, "values": [-1.5943, -1.4437, -1.4253], "mean": -1.4878, "spread": 0.169}, "repeats_hs": {"runs": 3, "values": [0.2568, 0.2098, 0.3523], "mean": 0.273, "spread": 0.1425}, "at": 1789437073}, "tier": 1, "alerts": [], "total_sd": 1.222, "total_ci95": [56.086, 60.854], "relegate_reason": [], "submitted_at": 1789435330, "scored_at": 1789437073, "rank": 1095}, {"candidate_id": "ODC-254F61", "res_at": 1789526909, "skeleton": "DNITZERTALYIAO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 57.959, "axes": {"activity": 8.92, "binding": 19.39, "selectivity": 15.28, "admet": 5.4, "novelty": 4.23, "synthesis": 4.74}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 7.91, "LE": 0.471, "potency_term": 0.97, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.7, "selectivity_term": 0.788, "target_engagement": 0.97}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.881, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.13, "ld50-zhu": 0.366, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 5.135332736813152, "aff_pf": -1.9088692665100098, "aff_hs": -0.33290045460065204, "repeats_pf": {"runs": 3, "values": [-1.8652, -1.9677, -1.8937], "mean": -1.9089, "spread": 0.1025}, "repeats_hs": {"runs": 3, "values": [-0.3908, -0.2877, -0.3202], "mean": -0.3329, "spread": 0.1031}, "at": 1789526909}, "tier": 1, "alerts": [], "total_sd": 0.713, "total_ci95": [56.749, 59.639], "relegate_reason": [], "submitted_at": 1789524632, "scored_at": 1789526909, "rank": 1096}, {"candidate_id": "ODC-0E7319", "res_at": 1786839004, "skeleton": "CXKQFCORZXWQNS", "hf_user": "Jt1004", "display_name": "Jt1004", "model_name": "OpenAI GPT-5.6 Sol + ODC Harness v1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.945, "axes": {"activity": 13.73, "binding": 17.3, "selectivity": 14.19, "admet": 6.23, "novelty": 2.77, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 7.59, "LE": 0.434, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.7, "selectivity_term": 0.82, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.339, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.374, "herg": 0.382, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "1", "pAct_q10": 5.423631472691698, "aff_pf": -1.5946236451466878, "aff_hs": 0.04583662748336792, "repeats_pf": {"runs": 3, "values": [-1.6773, -1.5733, -1.5333], "mean": -1.5946, "spread": 0.144}, "repeats_hs": {"runs": 3, "values": [-0.0007, 0.0684, 0.0698], "mean": 0.0458, "spread": 0.0706}, "at": 1786839004}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804826, "scored_at": 1786839004, "alerts": [], "rank": 1097}, {"candidate_id": "ODC-00677B", "res_at": 1787506628, "skeleton": "KQYGLQVGWZIRSD", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-PIN03]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.944, "axes": {"activity": 19.76, "binding": 16.21, "selectivity": 10.88, "admet": 5.17, "novelty": 2.43, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.786, "fraction": 0.659}, "binding": {"pIC50": 7.43, "LE": 0.377, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.0, "selectivity_term": 0.671, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.549, "ld50-zhu": 0.504, "herg": 0.158, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.785810770834391, "aff_pf": -1.4318859974543254, "aff_hs": -0.08920180797576904, "repeats_pf": {"runs": 3, "values": [-1.4194, -1.4057, -1.4706], "mean": -1.4319, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [0.0442, 0.0971, -0.4089], "mean": -0.0892, "spread": 0.5061}, "at": 1787506628}, "tier": 1, "relegate_reason": [], "submitted_at": 1787506431, "scored_at": 1787506628, "alerts": [], "rank": 1098}, {"candidate_id": "ODC-72AD9F", "res_at": 1787871695, "skeleton": "AEOUOWMLPDFLFB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 57.929, "axes": {"activity": 23.88, "binding": 14.11, "selectivity": 6.54, "admet": 5.07, "novelty": 4.82, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.033, "fraction": 0.796}, "binding": {"pIC50": 7.12, "LE": 0.361, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.463, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.896, "ld50-zhu": 0.504, "herg": 0.073, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 6.032958593237394, "aff_pf": -1.1171938180923462, "aff_hs": -0.1906701922416687, "repeats_pf": {"runs": 3, "values": [-1.0114, -1.0736, -1.2666], "mean": -1.1172, "spread": 0.2552}, "repeats_hs": {"runs": 3, "values": [-0.5086, 0.0993, -0.1627], "mean": -0.1907, "spread": 0.6079}, "at": 1787862935}, "tier": 1, "relegate_reason": [], "submitted_at": 1787807808, "scored_at": 1787862935, "alerts": [], "rank": 1099}, {"candidate_id": "ODC-978D9E", "res_at": 1789440529, "skeleton": "KMYNSBUYOYWLKB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.919, "axes": {"activity": 12.33, "binding": 17.16, "selectivity": 15.49, "admet": 4.95, "novelty": 4.29, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 7.57, "LE": 0.399, "potency_term": 0.858, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.9, "selectivity_term": 0.903, "target_engagement": 0.858}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.921, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.33986271350823, "aff_pf": -1.5736525456110637, "aff_hs": 0.2315979798634847, "repeats_pf": {"runs": 3, "values": [-1.5087, -1.5989, -1.6134], "mean": -1.5737, "spread": 0.1047}, "repeats_hs": {"runs": 3, "values": [0.3131, 0.1546, 0.2271], "mean": 0.2316, "spread": 0.1584}, "at": 1789440529}, "tier": 1, "alerts": [], "total_sd": 0.775, "total_ci95": [56.225, 59.171], "relegate_reason": [], "submitted_at": 1789435902, "scored_at": 1789440529, "rank": 1100}, {"candidate_id": "ODC-69E79D", "res_at": 1786869092, "skeleton": "YPYVQBZQHGKYHS", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.906, "axes": {"activity": 16.59, "binding": 17.3, "selectivity": 10.2, "admet": 6.65, "novelty": 3.16, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 5.595, "fraction": 0.553}, "binding": {"pIC50": 7.59, "LE": 0.452, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.1, "selectivity_term": 0.59, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.59, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.354, "herg": 0.622, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 5.5954361784970015, "aff_pf": -1.5948216517766316, "aff_hs": -0.41572996973991394, "repeats_pf": {"runs": 3, "values": [-1.5459, -1.5796, -1.6589], "mean": -1.5948, "spread": 0.113}, "repeats_hs": {"runs": 3, "values": [-0.4548, -0.3286, -0.4638], "mean": -0.4157, "spread": 0.1353}, "at": 1786869092}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859899, "scored_at": 1786869092, "alerts": [], "rank": 1101}, {"candidate_id": "ODC-6F5358", "res_at": 1787082804, "skeleton": "XKCHFQOXOZNDKW", "hf_user": "1Dmeds", "display_name": "ODC26-MB-23", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 57.898, "axes": {"activity": 23.62, "binding": 11.17, "selectivity": 8.63, "admet": 6.24, "novelty": 4.97, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 6.017, "fraction": 0.787}, "binding": {"pIC50": 6.67, "LE": 0.381, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.1, "selectivity_term": 0.773, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.462, "cyp3a4-substrate-carbonmangels": 0.435, "ld50-zhu": 0.421, "herg": 0.817, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 6.0173058724851165, "aff_pf": -0.6747961839040121, "aff_hs": 0.8702510197957357, "repeats_pf": {"runs": 3, "values": [-0.6038, -0.6706, -0.75], "mean": -0.6748, "spread": 0.1461}, "repeats_hs": {"runs": 3, "values": [0.8104, 0.8019, 0.9985], "mean": 0.8703, "spread": 0.1966}, "at": 1787082804}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069750, "scored_at": 1787082804, "alerts": [], "rank": 1102}, {"candidate_id": "ODC-0B2387", "res_at": 1789426907, "skeleton": "GQNVXVSKRSYHRL", "hf_user": "Ku-ku", "display_name": "KK-M-0915-936", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CCc··········F)c21", "total": 57.889, "axes": {"activity": 20.92, "binding": 14.44, "selectivity": 10.01, "admet": 4.76, "novelty": 4.81, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.855, "fraction": 0.697}, "binding": {"pIC50": 7.17, "LE": 0.378, "potency_term": 0.722, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.4, "selectivity_term": 0.693, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.635, "ld50-zhu": 0.491, "herg": 0.217, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.855414672779592, "aff_pf": -1.166439374287923, "aff_hs": 0.220392107963562, "repeats_pf": {"runs": 3, "values": [-1.2183, -1.0559, -1.2251], "mean": -1.1664, "spread": 0.1692}, "repeats_hs": {"runs": 3, "values": [0.2053, 0.2302, 0.2257], "mean": 0.2204, "spread": 0.0249}, "at": 1789426907}, "tier": 1, "alerts": [], "total_sd": 1.141, "total_ci95": [55.456, 59.342], "relegate_reason": [], "submitted_at": 1789425058, "scored_at": 1789426907, "rank": 1103}, {"candidate_id": "ODC-0DA5B0", "res_at": 1787560384, "skeleton": "COLSPXSGEBHCLB", "hf_user": "Ku-ku", "display_name": "KK-M-0824-13", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········nc2n1", "total": 57.874, "axes": {"activity": 23.67, "binding": 11.73, "selectivity": 9.72, "admet": 3.76, "novelty": 5.58, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 6.02, "fraction": 0.789}, "binding": {"pIC50": 6.81, "LE": 0.292, "potency_term": 0.603, "efficiency_cap": 0.972}, "selectivity": {"fold": 40.8, "selectivity_term": 0.805, "target_engagement": 0.603}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.421, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.995, "ld50-zhu": 0.441, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 6.020198487203582, "aff_pf": -0.8104722499847412, "aff_hs": 0.8004937569300333, "repeats_pf": {"runs": 3, "values": [-0.8308, -0.8297, -0.7709], "mean": -0.8105, "spread": 0.0599}, "repeats_hs": {"runs": 3, "values": [0.8109, 0.7687, 0.8219], "mean": 0.8005, "spread": 0.0532}, "at": 1787560384}, "tier": 1, "relegate_reason": [], "submitted_at": 1787548542, "scored_at": 1787560384, "alerts": [], "rank": 1104}, {"candidate_id": "ODC-55F017", "res_at": 1789334556, "skeleton": "QDNHXNLCMOGRJZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.866, "axes": {"activity": 17.89, "binding": 16.62, "selectivity": 10.0, "admet": 5.35, "novelty": 4.67, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.674, "fraction": 0.596}, "binding": {"pIC50": 7.49, "LE": 0.411, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.583, "herg": 0.542, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.673615974265272, "aff_pf": -1.492307225863139, "aff_hs": -0.2891322672367096, "repeats_pf": {"runs": 3, "values": [-1.4416, -1.4556, -1.5798], "mean": -1.4923, "spread": 0.1382}, "repeats_hs": {"runs": 3, "values": [-0.339, -0.1945, -0.3339], "mean": -0.2891, "spread": 0.1445}, "at": 1789334556}, "tier": 1, "alerts": [], "total_sd": 1.032, "total_ci95": [56.373, 60.435], "relegate_reason": [], "submitted_at": 1789323081, "scored_at": 1789334556, "rank": 1105}, {"candidate_id": "ODC-BA178F", "res_at": 1788431002, "skeleton": "XLFRIGLFDBSXGM", "hf_user": "Bio-JS", "display_name": "0903-S1-12 oF_mF/cPr/tmSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.858, "axes": {"activity": 21.25, "binding": 14.87, "selectivity": 10.85, "admet": 2.79, "novelty": 5.17, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.875, "fraction": 0.708}, "binding": {"pIC50": 7.38, "LE": 0.281, "potency_term": 0.794, "efficiency_cap": 0.936}, "selectivity": {"fold": 23.2, "selectivity_term": 0.683, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.059, "caco2-wang": 0.453, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.777, "herg": 0.05, "dili": 0.141}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.8752057978753145, "aff_pf": -1.3821604251861572, "aff_hs": -0.015904249002536137, "repeats_pf": {"runs": 3, "values": [-1.4693, -1.2505, -1.4267], "mean": -1.3822, "spread": 0.2188}, "repeats_hs": {"runs": 3, "values": [0.0163, 0.0289, -0.093], "mean": -0.0159, "spread": 0.1219}, "at": 1788431002}, "tier": 1, "alerts": [], "total_sd": 1.518, "total_ci95": [54.684, 60.136], "relegate_reason": [], "submitted_at": 1788362761, "scored_at": 1788431002, "rank": 1106}, {"candidate_id": "ODC-86D8A0", "res_at": 1788591307, "skeleton": "INUHGIYLNLMGNZ", "hf_user": "Bio-JS", "display_name": "0905-S1-13 SCHF2/H/Br/H", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 57.854, "axes": {"activity": 21.99, "binding": 12.86, "selectivity": 8.68, "admet": 6.1, "novelty": 4.72, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 6.93, "LE": 0.452, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.406, "cyp3a4-substrate-carbonmangels": 0.83, "ld50-zhu": 0.367, "herg": 0.956, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.919419968050545, "aff_pf": -0.9296435713768005, "aff_hs": 0.4196836253007253, "repeats_pf": {"runs": 3, "values": [-1.0657, -0.9051, -0.8181], "mean": -0.9296, "spread": 0.2475}, "repeats_hs": {"runs": 3, "values": [0.3019, 0.2491, 0.708], "mean": 0.4197, "spread": 0.4589}, "at": 1788591307}, "tier": 1, "alerts": [], "total_sd": 1.389, "total_ci95": [55.482, 60.711], "relegate_reason": [], "submitted_at": 1788560139, "scored_at": 1788591307, "rank": 1107}, {"candidate_id": "ODC-7BE0EA", "res_at": 1787047069, "skeleton": "XETPJTVHTUIFQO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.85, "axes": {"activity": 16.07, "binding": 17.14, "selectivity": 10.68, "admet": 5.97, "novelty": 4.21, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.536}, "binding": {"pIC50": 7.57, "LE": 0.415, "potency_term": 0.857, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.623, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.276, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.509, "herg": 0.334, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.564495251624762, "aff_pf": -1.570697824160258, "aff_hs": -0.3241874823967616, "repeats_pf": {"runs": 3, "values": [-1.5429, -1.6032, -1.5659], "mean": -1.5707, "spread": 0.0603}, "repeats_hs": {"runs": 3, "values": [-0.2391, -0.442, -0.2914], "mean": -0.3242, "spread": 0.2029}, "at": 1787047069}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039545, "scored_at": 1787047069, "alerts": [], "rank": 1108}, {"candidate_id": "ODC-29AEEE", "res_at": 1786899191, "skeleton": "DRTJNONAMNSWFL", "hf_user": "choa712", "display_name": "LUCY-L8-05", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 57.848, "axes": {"activity": 22.86, "binding": 15.64, "selectivity": 6.11, "admet": 4.75, "novelty": 5.03, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.972, "fraction": 0.762}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.782, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.607, "herg": 0.121, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 5.97156328826307, "aff_pf": -1.3465232054392497, "aff_hs": -0.5655677715937296, "repeats_pf": {"runs": 3, "values": [-1.2586, -1.4207, -1.3603], "mean": -1.3465, "spread": 0.1621}, "repeats_hs": {"runs": 3, "values": [-0.6401, -0.5374, -0.5192], "mean": -0.5656, "spread": 0.1208}, "at": 1786899191}, "tier": 1, "relegate_reason": [], "submitted_at": 1786894622, "scored_at": 1786899191, "alerts": [], "rank": 1109}, {"candidate_id": "ODC-2834CD", "res_at": 1786929897, "skeleton": "DHFRZCJAPIRSNT", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········cc1Br", "total": 57.846, "axes": {"activity": 20.21, "binding": 15.01, "selectivity": 10.48, "admet": 4.68, "novelty": 4.55, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.813, "fraction": 0.674}, "binding": {"pIC50": 7.25, "LE": 0.397, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.9, "selectivity_term": 0.698, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.396, "ld50-zhu": 0.483, "herg": 0.605, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "2", "pAct_q10": 5.812782210982982, "aff_pf": -1.2507938543955486, "aff_hs": 0.1459978073835373, "repeats_pf": {"runs": 3, "values": [-1.2188, -1.2886, -1.245], "mean": -1.2508, "spread": 0.0698}, "repeats_hs": {"runs": 3, "values": [0.2239, 0.0637, 0.1504], "mean": 0.146, "spread": 0.1602}, "at": 1786929897}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924552, "scored_at": 1786929897, "alerts": [], "rank": 1110}, {"candidate_id": "ODC-3D3D62", "res_at": 1786831614, "skeleton": "QOSOKEZWMAHOBF", "hf_user": "DOATC", "display_name": "SOL_SAFETY_R1_NOF", "model_name": "OpenAI GPt-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.836, "axes": {"activity": 14.37, "binding": 15.9, "selectivity": 15.9, "admet": 5.89, "novelty": 1.81, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 7.38, "LE": 0.506, "potency_term": 0.795, "efficiency_cap": 1.0}, "selectivity": {"fold": 150.1, "selectivity_term": 1.0, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.654, "ld50-zhu": 0.293, "herg": 0.361, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.773, "novelty": 0.227}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 5.462395705770148, "aff_pf": -1.38473375638326, "aff_hs": 0.7916932900746664, "repeats_pf": {"runs": 3, "values": [-1.3968, -1.3925, -1.3648], "mean": -1.3847, "spread": 0.032}, "repeats_hs": {"runs": 3, "values": [0.8039, 0.776, 0.7952], "mean": 0.7917, "spread": 0.0279}, "at": 1786831614}, "tier": 1, "relegate_reason": [], "submitted_at": 1786797503, "scored_at": 1786831614, "alerts": [], "rank": 1111}, {"candidate_id": "ODC-432F55", "res_at": 1789340361, "skeleton": "LTGPYRDMHUHARR", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 57.832, "axes": {"activity": 22.71, "binding": 15.4, "selectivity": 6.12, "admet": 5.3, "novelty": 5.24, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.963, "fraction": 0.757}, "binding": {"pIC50": 7.31, "LE": 0.385, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.842, "ld50-zhu": 0.533, "herg": 0.365, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.962718477216688, "aff_pf": -1.3106183211008708, "aff_hs": -0.5165220399697622, "repeats_pf": {"runs": 3, "values": [-1.3444, -1.2597, -1.3278], "mean": -1.3106, "spread": 0.0847}, "repeats_hs": {"runs": 3, "values": [-0.5964, -0.5066, -0.4465], "mean": -0.5165, "spread": 0.1499}, "at": 1789340361}, "tier": 1, "alerts": [], "total_sd": 0.58, "total_ci95": [56.809, 58.872], "relegate_reason": [], "submitted_at": 1789330416, "scored_at": 1789340361, "rank": 1112}, {"candidate_id": "ODC-E3E1EE", "res_at": 1789927821, "skeleton": "UNMDJJNNESALEO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.819, "axes": {"activity": 12.44, "binding": 18.96, "selectivity": 12.76, "admet": 5.88, "novelty": 4.58, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.415}, "binding": {"pIC50": 7.84, "LE": 0.467, "potency_term": 0.948, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.2, "selectivity_term": 0.673, "target_engagement": 0.948}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.209, "ld50-zhu": 0.635, "herg": 0.77, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "2", "pAct_q10": 5.34613442820766, "aff_pf": -1.8446484406789143, "aff_hs": -0.4992674191792806, "repeats_pf": {"runs": 3, "values": [-1.8757, -1.8397, -1.8185], "mean": -1.8446, "spread": 0.0572}, "repeats_hs": {"runs": 3, "values": [-0.5081, -0.5083, -0.4814], "mean": -0.4993, "spread": 0.027}, "at": 1789927821}, "tier": 1, "alerts": [], "total_sd": 0.371, "total_ci95": [57.241, 58.612], "relegate_reason": [], "submitted_at": 1789919026, "scored_at": 1789927821, "rank": 1113}, {"candidate_id": "ODC-FD6BE5", "res_at": 1787876452, "skeleton": "MQHXQBZQTIUWBT", "hf_user": "Bio-JS", "display_name": "조합: 3-메틸옥세탄(fold 73.5) x 설폭사이드 팔(pf -1.60)", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.816, "axes": {"activity": 16.86, "binding": 14.49, "selectivity": 15.24, "admet": 3.39, "novelty": 4.86, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.612, "fraction": 0.562}, "binding": {"pIC50": 7.29, "LE": 0.285, "potency_term": 0.762, "efficiency_cap": 0.951}, "selectivity": {"fold": 291.0, "selectivity_term": 1.0, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.42, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.403, "herg": 0.05, "dili": 0.184}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.611576639930511, "aff_pf": -1.2860123713811238, "aff_hs": 1.1779075860977173, "repeats_pf": {"runs": 3, "values": [-1.2303, -1.3255, -1.3022], "mean": -1.286, "spread": 0.0952}, "repeats_hs": {"runs": 3, "values": [1.0896, 1.3134, 1.1308], "mean": 1.1779, "spread": 0.2238}, "at": 1787876452}, "tier": 1, "relegate_reason": [], "submitted_at": 1787814015, "scored_at": 1787876452, "alerts": [], "rank": 1114}, {"candidate_id": "ODC-A2C0ED", "res_at": 1788512376, "skeleton": "SRLPOYUOZPVQOL", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW MeCF2/Cl/p-CF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 57.814, "axes": {"activity": 13.41, "binding": 17.96, "selectivity": 13.01, "admet": 6.27, "novelty": 3.05, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.69, "LE": 0.422, "potency_term": 0.898, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.1, "selectivity_term": 0.724, "target_engagement": 0.898}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.437, "cyp3a4-substrate-carbonmangels": 0.823, "ld50-zhu": 0.399, "herg": 0.266, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.40467907184465, "aff_pf": -1.6937579313913982, "aff_hs": -0.24526087939739227, "repeats_pf": {"runs": 3, "values": [-1.6827, -1.7023, -1.6963], "mean": -1.6938, "spread": 0.0195}, "repeats_hs": {"runs": 3, "values": [-0.2501, -0.3186, -0.1671], "mean": -0.2453, "spread": 0.1515}, "at": 1788512376}, "tier": 1, "alerts": [], "total_sd": 0.349, "total_ci95": [57.041, 58.516], "relegate_reason": [], "submitted_at": 1788487293, "scored_at": 1788512376, "rank": 1115}, {"candidate_id": "ODC-A713E8", "res_at": 1788494366, "skeleton": "HPPTXOZIPRHMPD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.81, "axes": {"activity": 14.17, "binding": 17.83, "selectivity": 14.51, "admet": 4.31, "novelty": 2.67, "synthesis": 4.32}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 7.67, "LE": 0.457, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.4, "selectivity_term": 0.814, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.356, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.449970432028617, "aff_pf": -1.67470916112264, "aff_hs": -0.04731733103593191, "repeats_pf": {"runs": 3, "values": [-1.6915, -1.6241, -1.7085], "mean": -1.6747, "spread": 0.0843}, "repeats_hs": {"runs": 3, "values": [-0.1067, -0.024, -0.0113], "mean": -0.0473, "spread": 0.0955}, "at": 1788494366}, "tier": 1, "alerts": [], "total_sd": 0.551, "total_ci95": [56.822, 58.77], "relegate_reason": [], "submitted_at": 1788433935, "scored_at": 1788494366, "rank": 1116}, {"candidate_id": "ODC-02406F", "res_at": 1788297467, "skeleton": "LJFSBCHDAVRNFI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-B-H2-cpa-b-C5-2Mebutyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········N)CC1", "total": 57.8, "axes": {"activity": 30.0, "binding": 12.52, "selectivity": 0.14, "admet": 4.84, "novelty": 7.11, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 6.511, "fraction": 1.0}, "binding": {"pIC50": 7.09, "LE": 0.27, "potency_term": 0.696, "efficiency_cap": 0.899}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.187, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.256, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.238, "dili": 0.259}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 6.511027599587056, "aff_pf": -1.0880815982818604, "aff_hs": -1.0684120456377666, "repeats_pf": {"runs": 3, "values": [-1.0158, -1.1105, -1.1379], "mean": -1.0881, "spread": 0.122}, "repeats_hs": {"runs": 3, "values": [-1.1931, -0.9967, -1.0155], "mean": -1.0684, "spread": 0.1964}, "at": 1788297467}, "tier": 1, "alerts": [], "total_sd": 0.403, "total_ci95": [57.193, 58.829], "relegate_reason": [], "submitted_at": 1788271686, "scored_at": 1788297467, "rank": 1117}, {"candidate_id": "ODC-350F80", "res_at": 1786942332, "skeleton": "RBNRAMXXHZWONN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 57.785, "axes": {"activity": 15.05, "binding": 17.87, "selectivity": 9.63, "admet": 6.49, "novelty": 4.83, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 7.68, "LE": 0.438, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.539, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.866, "ld50-zhu": 0.495, "herg": 0.759, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.503117878175152, "aff_pf": -1.6799099047978718, "aff_hs": -0.601349929968516, "repeats_pf": {"runs": 3, "values": [-1.7574, -1.6984, -1.5839], "mean": -1.6799, "spread": 0.1735}, "repeats_hs": {"runs": 3, "values": [-0.6156, -0.556, -0.6324], "mean": -0.6013, "spread": 0.0763}, "at": 1786942332}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933478, "scored_at": 1786942332, "alerts": [], "rank": 1118}, {"candidate_id": "ODC-20A15A", "res_at": 1786873763, "skeleton": "FYEBUWKONABBPC", "hf_user": "Binggu8", "display_name": "BG70-V801", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.784, "axes": {"activity": 13.66, "binding": 17.48, "selectivity": 12.32, "admet": 6.85, "novelty": 3.43, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.455}, "binding": {"pIC50": 7.62, "LE": 0.475, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.7, "selectivity_term": 0.705, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.56, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.4, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.419647301328382, "aff_pf": -1.6224565903345745, "aff_hs": -0.21269859373569489, "repeats_pf": {"runs": 3, "values": [-1.6139, -1.6401, -1.6134], "mean": -1.6225, "spread": 0.0266}, "repeats_hs": {"runs": 3, "values": [-0.1168, -0.2162, -0.3051], "mean": -0.2127, "spread": 0.1883}, "at": 1786873763}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866381, "scored_at": 1786873763, "alerts": [], "rank": 1119}, {"candidate_id": "ODC-B492B0", "res_at": 1789269314, "skeleton": "BFSPDZYQVLZGRY", "hf_user": "Ku-ku", "display_name": "KK-M-0913-745", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 57.772, "axes": {"activity": 28.93, "binding": 10.19, "selectivity": 4.02, "admet": 3.8, "novelty": 6.97, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.336, "fraction": 0.964}, "binding": {"pIC50": 6.62, "LE": 0.283, "potency_term": 0.539, "efficiency_cap": 0.944}, "selectivity": {"fold": 5.6, "selectivity_term": 0.372, "target_engagement": 0.539}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.52, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 6.336020941274144, "aff_pf": -0.6177464127540588, "aff_hs": 0.12709291776021323, "repeats_pf": {"runs": 3, "values": [-0.6185, -0.6411, -0.5936], "mean": -0.6177, "spread": 0.0475}, "repeats_hs": {"runs": 3, "values": [0.1152, 0.0718, 0.1943], "mean": 0.1271, "spread": 0.1225}, "at": 1789269314}, "tier": 1, "alerts": [], "total_sd": 0.253, "total_ci95": [57.318, 58.285], "relegate_reason": [], "submitted_at": 1789263751, "scored_at": 1789269314, "rank": 1120}, {"candidate_id": "ODC-EBF9D2", "res_at": 1786929159, "skeleton": "JRPXAORKHLGAJU", "hf_user": "choa712", "display_name": "LUCY", "model_name": "GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)cc1F", "total": 57.763, "axes": {"activity": 25.12, "binding": 11.8, "selectivity": 5.13, "admet": 6.91, "novelty": 5.54, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 6.77, "LE": 0.371, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.877, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.378, "ld50-zhu": 0.428, "herg": 0.988, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.107292205738839, "aff_pf": -0.7702844540278116, "aff_hs": 0.0996776670217514, "repeats_pf": {"runs": 3, "values": [-0.535, -0.9515, -0.8243], "mean": -0.7703, "spread": 0.4165}, "repeats_hs": {"runs": 3, "values": [0.2033, -0.0479, 0.1437], "mean": 0.0997, "spread": 0.2512}, "at": 1786929159}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923718, "scored_at": 1786929159, "alerts": [], "rank": 1121}, {"candidate_id": "ODC-40C186", "res_at": 1787139924, "skeleton": "DYUOIDMEEFDLRT", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 57.761, "axes": {"activity": 15.71, "binding": 16.61, "selectivity": 11.72, "admet": 5.59, "novelty": 4.82, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 7.49, "LE": 0.411, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.7, "selectivity_term": 0.705, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.358, "ld50-zhu": 0.564, "herg": 0.442, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.542571504896245, "aff_pf": -1.4919195572535198, "aff_hs": -0.08153916398684184, "repeats_pf": {"runs": 3, "values": [-1.4459, -1.5528, -1.4771], "mean": -1.4919, "spread": 0.1069}, "repeats_hs": {"runs": 3, "values": [-0.1148, -0.1404, 0.0106], "mean": -0.0815, "spread": 0.1509}, "at": 1787139924}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138959, "scored_at": 1787139924, "alerts": [], "rank": 1122}, {"candidate_id": "ODC-C97741", "res_at": 1786771676, "skeleton": "LNVOZXORBDSKOG", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC-A2-BromoChloro", "model_name": "OpenCrab-ALEXAI candidate panel v0.1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.76, "axes": {"activity": 15.09, "binding": 16.82, "selectivity": 14.58, "admet": 4.85, "novelty": 2.54, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 7.52, "LE": 0.448, "potency_term": 0.841, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.1, "selectivity_term": 0.867, "target_engagement": 0.841}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.337, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.5051630406886956, "aff_pf": -1.5234801769256592, "aff_hs": 0.20987462997436523, "at": 1786771676}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771358, "scored_at": 1786771676, "alerts": [], "rank": 1123}, {"candidate_id": "ODC-B0DAAD", "res_at": 1787083527, "skeleton": "CPMOELIVXWDUOV", "hf_user": "1Dmeds", "display_name": "ODC26-MB-27", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 57.759, "axes": {"activity": 20.48, "binding": 15.25, "selectivity": 8.51, "admet": 5.67, "novelty": 4.77, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.829, "fraction": 0.683}, "binding": {"pIC50": 7.29, "LE": 0.416, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.558, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.653, "ld50-zhu": 0.463, "herg": 0.602, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.829095638871202, "aff_pf": -1.2875028053919475, "aff_hs": -0.17145793636639914, "repeats_pf": {"runs": 3, "values": [-1.2971, -1.3131, -1.2523], "mean": -1.2875, "spread": 0.0607}, "repeats_hs": {"runs": 3, "values": [-0.3373, -0.3421, 0.165], "mean": -0.1715, "spread": 0.5072}, "at": 1787083527}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069787, "scored_at": 1787083527, "alerts": [], "rank": 1124}, {"candidate_id": "ODC-645FD4", "res_at": 1787083341, "skeleton": "OKSGNTHXDVEHAW", "hf_user": "1Dmeds", "display_name": "ODC26-MB-26", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 57.745, "axes": {"activity": 18.26, "binding": 16.36, "selectivity": 8.64, "admet": 6.05, "novelty": 5.15, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.695, "fraction": 0.609}, "binding": {"pIC50": 7.45, "LE": 0.409, "potency_term": 0.818, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.494, "herg": 0.554, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.695324985648332, "aff_pf": -1.4544639587402344, "aff_hs": -0.3984995086987813, "repeats_pf": {"runs": 3, "values": [-1.4751, -1.4721, -1.4162], "mean": -1.4545, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [-0.4563, -0.3587, -0.3805], "mean": -0.3985, "spread": 0.0976}, "at": 1787083341}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069778, "scored_at": 1787083341, "alerts": [], "rank": 1125}, {"candidate_id": "ODC-2DDA9E", "res_at": 1787576782, "skeleton": "BDCMJJCVYASQAG", "hf_user": "Ku-ku", "display_name": "KK-M-0824-32", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 57.742, "axes": {"activity": 11.55, "binding": 16.72, "selectivity": 15.87, "admet": 5.57, "novelty": 4.39, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 7.51, "LE": 0.447, "potency_term": 0.836, "efficiency_cap": 1.0}, "selectivity": {"fold": 79.0, "selectivity_term": 0.949, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.441, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.292811747362547, "aff_pf": -1.5083616177241008, "aff_hs": 0.3892788290977478, "repeats_pf": {"runs": 3, "values": [-1.497, -1.5388, -1.4893], "mean": -1.5084, "spread": 0.0495}, "repeats_hs": {"runs": 3, "values": [0.4275, 0.3493, 0.391], "mean": 0.3893, "spread": 0.0782}, "at": 1787576782}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575349, "scored_at": 1787576782, "alerts": [], "rank": 1126}, {"candidate_id": "ODC-D8B39D", "res_at": 1788155408, "skeleton": "WJGVJFYBLJNJHR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 57.718, "axes": {"activity": 11.24, "binding": 18.17, "selectivity": 12.98, "admet": 7.23, "novelty": 4.32, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.375}, "binding": {"pIC50": 7.73, "LE": 0.423, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.8, "selectivity_term": 0.714, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.478, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.649, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.425, "herg": 0.559, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.274405602502479, "aff_pf": -1.7258796294530232, "aff_hs": -0.2978845139344533, "repeats_pf": {"runs": 3, "values": [-1.8006, -1.6862, -1.6909], "mean": -1.7259, "spread": 0.1144}, "repeats_hs": {"runs": 3, "values": [-0.3196, -0.2698, -0.3042], "mean": -0.2979, "spread": 0.0498}, "at": 1788155408}, "tier": 1, "alerts": [], "total_sd": 0.829, "total_ci95": [56.579, 59.642], "relegate_reason": [], "submitted_at": 1788145027, "scored_at": 1788155408, "rank": 1127}, {"candidate_id": "ODC-479F63", "res_at": 1786913019, "skeleton": "UKGMLSVRQOLXGE", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.706, "axes": {"activity": 19.91, "binding": 18.67, "selectivity": 6.17, "admet": 4.28, "novelty": 4.59, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.664}, "binding": {"pIC50": 7.8, "LE": 0.411, "potency_term": 0.933, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.933}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.567, "ld50-zhu": 0.49, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.794442691519308, "aff_pf": -1.8004201253255208, "aff_hs": -1.1399129629135132, "repeats_pf": {"runs": 3, "values": [-1.8498, -1.7712, -1.7802], "mean": -1.8004, "spread": 0.0786}, "repeats_hs": {"runs": 3, "values": [-1.1443, -1.191, -1.0844], "mean": -1.1399, "spread": 0.1066}, "at": 1786913019}, "tier": 1, "relegate_reason": [], "submitted_at": 1786912821, "scored_at": 1786913019, "alerts": [], "rank": 1128}, {"candidate_id": "ODC-3F59F7", "res_at": 1788189950, "skeleton": "YQFMYKWBFKMUGV", "hf_user": "Ku-ku", "display_name": "KK-M-0831-534", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········3)c1F", "total": 57.699, "axes": {"activity": 28.69, "binding": 10.85, "selectivity": 3.67, "admet": 4.52, "novelty": 7.11, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.322, "fraction": 0.956}, "binding": {"pIC50": 6.63, "LE": 0.313, "potency_term": 0.543, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.543}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.832, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.911, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "0", "pAct_q10": 6.321650028485821, "aff_pf": -0.6281937956809998, "aff_hs": 0.04745706915855408, "repeats_pf": {"runs": 3, "values": [-0.7361, -0.556, -0.5925], "mean": -0.6282, "spread": 0.1802}, "repeats_hs": {"runs": 3, "values": [0.0847, 0.0863, -0.0286], "mean": 0.0475, "spread": 0.1149}, "at": 1788189950}, "tier": 1, "alerts": [], "total_sd": 0.703, "total_ci95": [56.653, 59.505], "relegate_reason": [], "submitted_at": 1788186799, "scored_at": 1788189950, "rank": 1129}, {"candidate_id": "ODC-474E2B", "res_at": 1786879143, "skeleton": "QTCTVMSVGRVANX", "hf_user": "choa712", "display_name": "choa712", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.687, "axes": {"activity": 24.93, "binding": 12.22, "selectivity": 5.06, "admet": 7.03, "novelty": 4.71, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.096, "fraction": 0.831}, "binding": {"pIC50": 6.83, "LE": 0.425, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 0.455, "ld50-zhu": 0.398, "herg": 0.906, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 6.095872531038878, "aff_pf": -0.832375148932139, "aff_hs": -0.003514935572942098, "repeats_pf": {"runs": 3, "values": [-0.8907, -0.8163, -0.7901], "mean": -0.8324, "spread": 0.1006}, "repeats_hs": {"runs": 3, "values": [-0.1338, -0.1535, 0.2768], "mean": -0.0035, "spread": 0.4303}, "at": 1786879143}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874055, "scored_at": 1786879143, "alerts": [], "rank": 1130}, {"candidate_id": "ODC-4D8EBF", "res_at": 1786922157, "skeleton": "DGYIYGXGCVLSAA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 57.674, "axes": {"activity": 22.86, "binding": 13.72, "selectivity": 8.25, "admet": 5.52, "novelty": 4.0, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.972, "fraction": 0.762}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.601, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.515, "cyp3a4-substrate-carbonmangels": 0.766, "ld50-zhu": 0.463, "herg": 0.217, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.971878701214217, "aff_pf": -1.0586841106414795, "aff_hs": 0.14421542982260385, "repeats_pf": {"runs": 3, "values": [-1.0347, -1.1239, -1.0175], "mean": -1.0587, "spread": 0.1064}, "repeats_hs": {"runs": 3, "values": [0.0657, 0.2294, 0.1375], "mean": 0.1442, "spread": 0.1637}, "at": 1786922157}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921421, "scored_at": 1786922157, "alerts": [], "rank": 1131}, {"candidate_id": "ODC-F9C207", "res_at": 1787248544, "skeleton": "PCXCHCDSZDAKQH", "hf_user": "takutoyo", "display_name": "PfD11-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 57.658, "axes": {"activity": 22.63, "binding": 16.67, "selectivity": 2.73, "admet": 7.59, "novelty": 5.35, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.958, "fraction": 0.754}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.523, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.688, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.452, "herg": 1.0, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.74}}, "run": {"gpu": "3", "pAct_q10": 5.957830105535255, "aff_pf": -1.5001951853434246, "aff_hs": -1.1728452841440837, "repeats_pf": {"runs": 3, "values": [-1.4978, -1.5262, -1.4766], "mean": -1.5002, "spread": 0.0496}, "repeats_hs": {"runs": 3, "values": [-1.5054, -1.0205, -0.9926], "mean": -1.1728, "spread": 0.5128}, "at": 1787248544}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787241542, "scored_at": 1787248544, "rank": 1132}, {"candidate_id": "ODC-6AD94D", "res_at": 1789384556, "skeleton": "HCQJSXDAPJRKAC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 57.649, "axes": {"activity": 18.6, "binding": 15.06, "selectivity": 12.37, "admet": 4.47, "novelty": 3.93, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.716, "fraction": 0.62}, "binding": {"pIC50": 7.26, "LE": 0.383, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.9, "selectivity_term": 0.821, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.332, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.531, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.478, "novelty": 0.522}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.7157054207970335, "aff_pf": -1.2592004140218098, "aff_hs": 0.3833528359731038, "repeats_pf": {"runs": 3, "values": [-1.2663, -1.2474, -1.2638], "mean": -1.2592, "spread": 0.0189}, "repeats_hs": {"runs": 3, "values": [0.3178, 0.4215, 0.4107], "mean": 0.3834, "spread": 0.1037}, "at": 1789384556}, "tier": 1, "alerts": [], "total_sd": 0.227, "total_ci95": [57.175, 58.065], "relegate_reason": [], "submitted_at": 1789366072, "scored_at": 1789384556, "rank": 1133}, {"candidate_id": "ODC-7D3F7A", "res_at": 1786841335, "skeleton": "VDNOABPTSAXVMG", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.624, "axes": {"activity": 13.59, "binding": 17.69, "selectivity": 13.13, "admet": 5.45, "novelty": 3.93, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.453}, "binding": {"pIC50": 7.65, "LE": 0.419, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.5, "selectivity_term": 0.742, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.558, "ld50-zhu": 0.601, "herg": 0.267, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "1", "pAct_q10": 5.415634915419554, "aff_pf": -1.6537340879440308, "aff_hs": -0.16989057262738547, "repeats_pf": {"runs": 3, "values": [-1.6845, -1.6031, -1.6735], "mean": -1.6537, "spread": 0.0814}, "repeats_hs": {"runs": 3, "values": [-0.2094, -0.222, -0.0783], "mean": -0.1699, "spread": 0.1437}, "at": 1786841335}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805951, "scored_at": 1786841335, "alerts": [], "rank": 1134}, {"candidate_id": "ODC-23DBC6", "res_at": 1787871623, "skeleton": "CTWIELZYQIOOOT", "hf_user": "Bio-JS", "display_name": "설폭사이드팔 x N-아세틸-3-(플루오로메틸)아제티딘", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 57.613, "axes": {"activity": 18.53, "binding": 14.19, "selectivity": 14.41, "admet": 2.85, "novelty": 4.87, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.712, "fraction": 0.618}, "binding": {"pIC50": 7.44, "LE": 0.261, "potency_term": 0.814, "efficiency_cap": 0.871}, "selectivity": {"fold": 58.9, "selectivity_term": 0.885, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.395, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.756, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.712092506208159, "aff_pf": -1.442484935124715, "aff_hs": 0.327589084704717, "repeats_pf": {"runs": 3, "values": [-1.4274, -1.3156, -1.5844], "mean": -1.4425, "spread": 0.2688}, "repeats_hs": {"runs": 3, "values": [0.4717, 0.4147, 0.0963], "mean": 0.3276, "spread": 0.3754}, "at": 1787869367}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813204, "scored_at": 1787869367, "alerts": [], "rank": 1135}, {"candidate_id": "ODC-CBAC36", "res_at": 1789439257, "skeleton": "GUJLGOLIVDLLCX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 57.605, "axes": {"activity": 9.85, "binding": 17.55, "selectivity": 15.86, "admet": 5.44, "novelty": 5.4, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 7.63, "LE": 0.402, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.1, "selectivity_term": 0.904, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.279, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.407, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.191093377286183, "aff_pf": -1.6328227519989014, "aff_hs": 0.17430355151494345, "repeats_pf": {"runs": 3, "values": [-1.5753, -1.6191, -1.704], "mean": -1.6328, "spread": 0.1287}, "repeats_hs": {"runs": 3, "values": [0.0556, 0.158, 0.3094], "mean": 0.1743, "spread": 0.2538}, "at": 1789439257}, "tier": 1, "alerts": [], "total_sd": 0.991, "total_ci95": [55.726, 59.538], "relegate_reason": [], "submitted_at": 1789435739, "scored_at": 1789439257, "rank": 1136}, {"candidate_id": "ODC-B36CC7", "res_at": 1787560184, "skeleton": "ZRVBZIHSOIKWDR", "hf_user": "Ku-ku", "display_name": "KK-M-0824-12", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCc2··········)cc21", "total": 57.603, "axes": {"activity": 26.43, "binding": 11.81, "selectivity": 4.13, "admet": 5.99, "novelty": 5.7, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.186, "fraction": 0.881}, "binding": {"pIC50": 6.77, "LE": 0.357, "potency_term": 0.591, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.349, "target_engagement": 0.591}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.528, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.185745470818991, "aff_pf": -0.7715438008308411, "aff_hs": -0.07277194658915202, "repeats_pf": {"runs": 3, "values": [-0.81, -0.7511, -0.7535], "mean": -0.7715, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [-0.0904, -0.0399, -0.088], "mean": -0.0728, "spread": 0.0505}, "at": 1787560184}, "tier": 1, "relegate_reason": [], "submitted_at": 1787548539, "scored_at": 1787560184, "alerts": [], "rank": 1137}, {"candidate_id": "ODC-DAD94A", "res_at": 1786984938, "skeleton": "LDFODJHHZSGBOH", "hf_user": "1Dmeds", "display_name": "ODC26-R7-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.568, "axes": {"activity": 13.68, "binding": 15.88, "selectivity": 15.88, "admet": 4.34, "novelty": 4.18, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 7.38, "LE": 0.46, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 120.7, "selectivity_term": 1.0, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.343, "herg": 0.273, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.4207983864099525, "aff_pf": -1.3819128274917603, "aff_hs": 0.6998947064081827, "repeats_pf": {"runs": 3, "values": [-1.3777, -1.3961, -1.372], "mean": -1.3819, "spread": 0.0241}, "repeats_hs": {"runs": 3, "values": [0.8363, 0.5521, 0.7113], "mean": 0.6999, "spread": 0.2842}, "at": 1786984938}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980296, "scored_at": 1786984938, "alerts": [], "rank": 1138}, {"candidate_id": "ODC-203C8A", "res_at": 1789426714, "skeleton": "MVYAPOLLCNJTNH", "hf_user": "Ku-ku", "display_name": "KK-M-0915-013", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1nc(N··········1CCC2", "total": 57.564, "axes": {"activity": 25.11, "binding": 14.25, "selectivity": 3.25, "admet": 5.92, "novelty": 5.82, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 7.14, "LE": 0.391, "potency_term": 0.713, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.228, "target_engagement": 0.713}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.612, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.561, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.534, "herg": 0.149, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.106595127725748, "aff_pf": -1.137821912765503, "aff_hs": -0.6816492080688477, "repeats_pf": {"runs": 3, "values": [-1.1261, -1.0927, -1.1947], "mean": -1.1378, "spread": 0.102}, "repeats_hs": {"runs": 3, "values": [-0.6484, -0.7755, -0.6211], "mean": -0.6816, "spread": 0.1544}, "at": 1789426714}, "tier": 1, "alerts": [], "total_sd": 0.485, "total_ci95": [56.584, 58.461], "relegate_reason": [], "submitted_at": 1789425055, "scored_at": 1789426714, "rank": 1139}, {"candidate_id": "ODC-9438F4", "res_at": 1788564741, "skeleton": "FFQUFZIQFQNTQB", "hf_user": "1Dmeds", "display_name": "ODC26-S1D19", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 57.555, "axes": {"activity": 17.88, "binding": 15.41, "selectivity": 12.18, "admet": 3.85, "novelty": 5.48, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.673, "fraction": 0.596}, "binding": {"pIC50": 7.5, "LE": 0.278, "potency_term": 0.833, "efficiency_cap": 0.925}, "selectivity": {"fold": 29.0, "selectivity_term": 0.731, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.554, "caco2-wang": 0.253, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.565, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 5.672731348289445, "aff_pf": -1.4977633158365886, "aff_hs": -0.03527249892552694, "repeats_pf": {"runs": 3, "values": [-1.4006, -1.6333, -1.4594], "mean": -1.4978, "spread": 0.2327}, "repeats_hs": {"runs": 3, "values": [-0.1148, 0.0972, -0.0883], "mean": -0.0353, "spread": 0.212}, "at": 1788564741}, "tier": 1, "alerts": [], "total_sd": 1.598, "total_ci95": [54.922, 61.344], "relegate_reason": [], "submitted_at": 1788555488, "scored_at": 1788564741, "rank": 1140}, {"candidate_id": "ODC-D0C516", "res_at": 1787250863, "skeleton": "ANSZWVMTGDTUKC", "hf_user": "1Dmeds", "display_name": "ODC26-R15-31", "model_name": "Claude Opus 5 free-cell corner scan", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········3)cc1", "total": 57.551, "axes": {"activity": 20.06, "binding": 14.13, "selectivity": 11.11, "admet": 5.13, "novelty": 3.95, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.804, "fraction": 0.669}, "binding": {"pIC50": 7.12, "LE": 0.424, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.4, "selectivity_term": 0.787, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.428, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.318, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.8037944988173376, "aff_pf": -1.1194812059402466, "aff_hs": 0.45368481675783795, "repeats_pf": {"runs": 3, "values": [-1.1047, -1.1415, -1.1122], "mean": -1.1195, "spread": 0.0369}, "repeats_hs": {"runs": 3, "values": [0.5395, 0.494, 0.3276], "mean": 0.4537, "spread": 0.212}, "at": 1787250863}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242218, "scored_at": 1787250863, "alerts": [], "rank": 1141}, {"candidate_id": "ODC-B882A4", "res_at": 1787156383, "skeleton": "FIYIVQPSMQEZRY", "hf_user": "takutoyo", "display_name": "PfD8-B7", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)cc1F", "total": 57.532, "axes": {"activity": 23.49, "binding": 15.38, "selectivity": 5.14, "admet": 6.12, "novelty": 4.04, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 6.009, "fraction": 0.783}, "binding": {"pIC50": 7.31, "LE": 0.417, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.609, "cyp3a4-substrate-carbonmangels": 0.41, "ld50-zhu": 0.332, "herg": 0.801, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 6.009159433287409, "aff_pf": -1.3062609434127808, "aff_hs": -0.6379128495852152, "repeats_pf": {"runs": 3, "values": [-1.3157, -1.3363, -1.2668], "mean": -1.3063, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [-0.6635, -0.6961, -0.5541], "mean": -0.6379, "spread": 0.1419}, "at": 1787156383}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148142, "scored_at": 1787156383, "alerts": [], "rank": 1142}, {"candidate_id": "ODC-F6CB6C", "res_at": 1787712970, "skeleton": "LGDOLFNOCIFACM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 57.525, "axes": {"activity": 30.0, "binding": 9.78, "selectivity": 0.59, "admet": 7.99, "novelty": 7.73, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 6.473, "fraction": 1.0}, "binding": {"pIC50": 6.57, "LE": 0.281, "potency_term": 0.522, "efficiency_cap": 0.937}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.522}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.548, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.791, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 5.0}}, "run": {"gpu": "3", "pAct_q10": 6.472852954965584, "aff_pf": -0.5663002133369446, "aff_hs": -0.45303183794021606, "repeats_pf": {"runs": 3, "values": [-0.8264, -0.6873, -0.1852], "mean": -0.5663, "spread": 0.6413}, "repeats_hs": {"runs": 3, "values": [-0.4537, -0.4024, -0.503], "mean": -0.453, "spread": 0.1006}, "at": 1787712970}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712136, "scored_at": 1787712970, "alerts": [], "rank": 1143}, {"candidate_id": "ODC-8D4338", "res_at": 1789534630, "skeleton": "JNTGAOMVROIXEF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.525, "axes": {"activity": 19.33, "binding": 17.47, "selectivity": 7.38, "admet": 5.28, "novelty": 4.22, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.76, "fraction": 0.644}, "binding": {"pIC50": 7.62, "LE": 0.418, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.537, "herg": 0.187, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.759675140609963, "aff_pf": -1.6201536258061726, "aff_hs": -0.7751806378364563, "repeats_pf": {"runs": 3, "values": [-1.7134, -1.5903, -1.5568], "mean": -1.6202, "spread": 0.1566}, "repeats_hs": {"runs": 3, "values": [-0.4643, -0.9752, -0.886], "mean": -0.7752, "spread": 0.5109}, "at": 1789534630}, "tier": 1, "alerts": [], "total_sd": 1.538, "total_ci95": [54.86, 60.999], "relegate_reason": [], "submitted_at": 1789524966, "scored_at": 1789534630, "rank": 1144}, {"candidate_id": "ODC-B3FE24", "res_at": 1789621246, "skeleton": "BUSRKGOQOCJCQN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.525, "axes": {"activity": 18.73, "binding": 17.1, "selectivity": 7.6, "admet": 5.91, "novelty": 4.42, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.724, "fraction": 0.624}, "binding": {"pIC50": 7.56, "LE": 0.415, "potency_term": 0.855, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.528, "herg": 0.171, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.723689121536987, "aff_pf": -1.5646373828252156, "aff_hs": -0.6759877800941467, "repeats_pf": {"runs": 3, "values": [-1.6668, -1.5008, -1.5263], "mean": -1.5646, "spread": 0.1659}, "repeats_hs": {"runs": 3, "values": [-0.8951, -0.2019, -0.931], "mean": -0.676, "spread": 0.7291}, "at": 1789621246}, "tier": 1, "alerts": [], "total_sd": 1.812, "total_ci95": [54.284, 60.863], "relegate_reason": [], "submitted_at": 1789618921, "scored_at": 1789621246, "rank": 1145}, {"candidate_id": "ODC-C3924A", "res_at": 1787557315, "skeleton": "VOTDTIIBDYTTJE", "hf_user": "takutoyo", "display_name": "PfD16-03", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 57.524, "axes": {"activity": 27.01, "binding": 10.9, "selectivity": 7.89, "admet": 3.16, "novelty": 5.6, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 6.22, "fraction": 0.9}, "binding": {"pIC50": 6.87, "LE": 0.262, "potency_term": 0.625, "efficiency_cap": 0.872}, "selectivity": {"fold": 18.3, "selectivity_term": 0.632, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.504, "ld50-zhu": 0.414, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 6.220319954367131, "aff_pf": -0.8745860457420349, "aff_hs": 0.3885300358136495, "repeats_pf": {"runs": 3, "values": [-0.8987, -0.8482, -0.8768], "mean": -0.8746, "spread": 0.0505}, "repeats_hs": {"runs": 3, "values": [0.2789, 0.5589, 0.3278], "mean": 0.3885, "spread": 0.28}, "at": 1787557315}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544029, "scored_at": 1787557315, "alerts": [], "rank": 1146}, {"candidate_id": "ODC-58995C", "res_at": 1788869968, "skeleton": "RYGTVBUOJFKUSL", "hf_user": "Ku-ku", "display_name": "KK-M-0908-008", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 57.524, "axes": {"activity": 25.86, "binding": 11.67, "selectivity": 5.3, "admet": 5.62, "novelty": 5.9, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 6.152, "fraction": 0.862}, "binding": {"pIC50": 6.75, "LE": 0.356, "potency_term": 0.583, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.204, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 6.151503402417122, "aff_pf": -0.7500359614690145, "aff_hs": 0.15776258210341135, "repeats_pf": {"runs": 3, "values": [-0.7283, -0.7782, -0.7436], "mean": -0.75, "spread": 0.05}, "repeats_hs": {"runs": 3, "values": [0.3479, 0.2043, -0.0789], "mean": 0.1578, "spread": 0.4269}, "at": 1788869968}, "tier": 1, "alerts": [], "total_sd": 0.668, "total_ci95": [56.219, 58.82], "relegate_reason": [], "submitted_at": 1788861884, "scored_at": 1788869968, "rank": 1147}, {"candidate_id": "ODC-1F3B2D", "res_at": 1786908040, "skeleton": "ZEJBRPDJQNFRRH", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.515, "axes": {"activity": 14.22, "binding": 16.97, "selectivity": 12.52, "admet": 6.27, "novelty": 3.77, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.453, "fraction": 0.474}, "binding": {"pIC50": 7.55, "LE": 0.492, "potency_term": 0.848, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.9, "selectivity_term": 0.738, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.539, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.453422712517255, "aff_pf": -1.5454471906026204, "aff_hs": -0.07034407556056976, "repeats_pf": {"runs": 3, "values": [-1.5463, -1.5512, -1.5389], "mean": -1.5454, "spread": 0.0123}, "repeats_hs": {"runs": 3, "values": [-0.1388, 0.0464, -0.1187], "mean": -0.0703, "spread": 0.1853}, "at": 1786908040}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899329, "scored_at": 1786908040, "alerts": [], "rank": 1148}, {"candidate_id": "ODC-728E78", "res_at": 1787557516, "skeleton": "IEBCKKRCTZZWQQ", "hf_user": "takutoyo", "display_name": "PfD16-04", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 57.515, "axes": {"activity": 22.83, "binding": 12.56, "selectivity": 12.42, "admet": 2.71, "novelty": 4.46, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.97, "fraction": 0.761}, "binding": {"pIC50": 7.09, "LE": 0.27, "potency_term": 0.698, "efficiency_cap": 0.9}, "selectivity": {"fold": 60.2, "selectivity_term": 0.89, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.439, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.455, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.9695187184979295, "aff_pf": -1.0931002298990886, "aff_hs": 0.6865346829096476, "repeats_pf": {"runs": 3, "values": [-1.0562, -1.0839, -1.1391], "mean": -1.0931, "spread": 0.0829}, "repeats_hs": {"runs": 3, "values": [0.5867, 0.8993, 0.5736], "mean": 0.6865, "spread": 0.3258}, "at": 1787557516}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544041, "scored_at": 1787557516, "alerts": [], "rank": 1149}, {"candidate_id": "ODC-CF7C32", "res_at": 1787581836, "skeleton": "LHAKMCJAZGJRCO", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4R2", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.503, "axes": {"activity": 12.66, "binding": 17.63, "selectivity": 12.77, "admet": 5.79, "novelty": 4.9, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.882, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.1, "selectivity_term": 0.725, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.786, "cyp2c9-veith": 0.548, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.3593254528023495, "aff_pf": -1.6446921825408936, "aff_hs": -0.19558806717395782, "repeats_pf": {"runs": 3, "values": [-1.6422, -1.6482, -1.6437], "mean": -1.6447, "spread": 0.0059}, "repeats_hs": {"runs": 3, "values": [-0.2116, -0.1792, -0.196], "mean": -0.1956, "spread": 0.0324}, "at": 1787581836}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578625, "scored_at": 1787581836, "alerts": [], "rank": 1150}, {"candidate_id": "ODC-75C65A", "res_at": 1786891089, "skeleton": "WLNLGAGXHHZPFM", "hf_user": "1Dmeds", "display_name": "ODC26-R4B-4CF3", "model_name": "Claude Sonnet 4.6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.5, "axes": {"activity": 12.92, "binding": 16.84, "selectivity": 12.76, "admet": 6.25, "novelty": 4.97, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.375, "fraction": 0.431}, "binding": {"pIC50": 7.53, "LE": 0.412, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.7, "selectivity_term": 0.757, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.332, "cyp3a4-substrate-carbonmangels": 0.435, "ld50-zhu": 0.511, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.3749940757006724, "aff_pf": -1.5267407099405925, "aff_hs": -0.011890336871147156, "repeats_pf": {"runs": 3, "values": [-1.4654, -1.5481, -1.5668], "mean": -1.5267, "spread": 0.1014}, "repeats_hs": {"runs": 3, "values": [0.0108, -0.0385, -0.008], "mean": -0.0119, "spread": 0.0493}, "at": 1786891089}, "tier": 1, "relegate_reason": [], "submitted_at": 1786882033, "scored_at": 1786891089, "alerts": [], "rank": 1151}, {"candidate_id": "ODC-E76D98", "res_at": 1787525570, "skeleton": "VUOXQFZQVZHGCB", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Br", "total": 57.496, "axes": {"activity": 22.19, "binding": 14.77, "selectivity": 7.79, "admet": 5.21, "novelty": 4.61, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.932, "fraction": 0.74}, "binding": {"pIC50": 7.22, "LE": 0.38, "potency_term": 0.739, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.527, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 0.771, "ld50-zhu": 0.588, "herg": 0.274, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.931566854009759, "aff_pf": -1.2162412405014038, "aff_hs": -0.16216045121351877, "repeats_pf": {"runs": 3, "values": [-1.2708, -1.1773, -1.2006], "mean": -1.2162, "spread": 0.0935}, "repeats_hs": {"runs": 3, "values": [-0.1682, -0.1243, -0.194], "mean": -0.1622, "spread": 0.0698}, "at": 1787525570}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520662, "scored_at": 1787525570, "alerts": [], "rank": 1152}, {"candidate_id": "ODC-8F5CE4", "res_at": 1787208348, "skeleton": "JCNRZUCQWTUHNW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 57.494, "axes": {"activity": 28.67, "binding": 7.5, "selectivity": 5.49, "admet": 5.37, "novelty": 6.49, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.956}, "binding": {"pIC50": 6.36, "LE": 0.249, "potency_term": 0.452, "efficiency_cap": 0.829}, "selectivity": {"fold": 16.4, "selectivity_term": 0.607, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.327, "hia-hou": 1.0, "bioavailability-ma": 0.973, "pgp-broccatelli": 0.883, "cyp2c9-veith": 0.073, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.083, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.320174114334713, "aff_pf": -0.35672934850056964, "aff_hs": 0.8569594621658325, "repeats_pf": {"runs": 3, "values": [-0.3815, -0.3243, -0.3644], "mean": -0.3567, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [0.8212, 0.8586, 0.891], "mean": 0.857, "spread": 0.0698}, "at": 1787208348}, "tier": 1, "relegate_reason": [], "submitted_at": 1787205281, "scored_at": 1787208348, "alerts": [], "rank": 1153}, {"candidate_id": "ODC-3F58E4", "res_at": 1789174186, "skeleton": "YYVHYTAMZDQFMS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.493, "axes": {"activity": 18.29, "binding": 17.03, "selectivity": 9.23, "admet": 5.8, "novelty": 3.41, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.698, "fraction": 0.61}, "binding": {"pIC50": 7.55, "LE": 0.431, "potency_term": 0.852, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.852}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.234, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.697659538225864, "aff_pf": -1.5548760493596394, "aff_hs": -0.470796138048172, "repeats_pf": {"runs": 3, "values": [-1.5238, -1.5697, -1.5711], "mean": -1.5549, "spread": 0.0474}, "repeats_hs": {"runs": 3, "values": [-0.4516, -0.5218, -0.439], "mean": -0.4708, "spread": 0.0829}, "at": 1789174186}, "tier": 1, "alerts": [], "total_sd": 0.339, "total_ci95": [56.755, 58.106], "relegate_reason": [], "submitted_at": 1789173682, "scored_at": 1789174186, "rank": 1154}, {"candidate_id": "ODC-098661", "res_at": 1788069456, "skeleton": "GIUSLZRCMNBBKY", "hf_user": "Bio-JS", "display_name": "28 A6 x 팔4 C-연결", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.488, "axes": {"activity": 18.71, "binding": 14.89, "selectivity": 12.89, "admet": 3.07, "novelty": 4.79, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.722, "fraction": 0.624}, "binding": {"pIC50": 7.38, "LE": 0.281, "potency_term": 0.795, "efficiency_cap": 0.937}, "selectivity": {"fold": 41.8, "selectivity_term": 0.811, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.725, "herg": 0.05, "dili": 0.233}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.722328045949931, "aff_pf": -1.384243090947469, "aff_hs": 0.23729407787322998, "repeats_pf": {"runs": 3, "values": [-1.261, -1.5163, -1.3755], "mean": -1.3842, "spread": 0.2553}, "repeats_hs": {"runs": 3, "values": [0.2584, 0.2939, 0.1596], "mean": 0.2373, "spread": 0.1343}, "at": 1788069456}, "tier": 1, "alerts": [], "total_sd": 1.691, "total_ci95": [54.145, 60.349], "relegate_reason": [], "submitted_at": 1788017548, "scored_at": 1788069456, "rank": 1155}, {"candidate_id": "ODC-E65101", "res_at": 1786778659, "skeleton": "BJSKXPCHPRPVGH", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.45, "axes": {"activity": 15.35, "binding": 16.65, "selectivity": 11.63, "admet": 6.25, "novelty": 3.7, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 7.5, "LE": 0.489, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.568, "ld50-zhu": 0.472, "herg": 0.286, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.520810250468119, "aff_pf": -1.4976706504821777, "aff_hs": -0.1004955917596817, "at": 1786778659}, "tier": 1, "relegate_reason": [], "submitted_at": 1786778465, "scored_at": 1786778659, "alerts": [], "rank": 1156}, {"candidate_id": "ODC-424A32", "res_at": 1786957619, "skeleton": "NRDJRGBJJMFAPH", "hf_user": "amadeus0710", "display_name": "tomato", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 57.449, "axes": {"activity": 14.13, "binding": 19.05, "selectivity": 10.69, "admet": 5.46, "novelty": 3.98, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 5.448, "fraction": 0.471}, "binding": {"pIC50": 7.86, "LE": 0.414, "potency_term": 0.953, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.2, "selectivity_term": 0.561, "target_engagement": 0.953}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.728, "ld50-zhu": 0.47, "herg": 0.228, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.447783077945098, "aff_pf": -1.8579354286193848, "aff_hs": -0.7358076373736063, "repeats_pf": {"runs": 3, "values": [-1.8905, -1.8832, -1.8001], "mean": -1.8579, "spread": 0.0904}, "repeats_hs": {"runs": 3, "values": [-0.6753, -0.7294, -0.8027], "mean": -0.7358, "spread": 0.1274}, "at": 1786957619}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956661, "scored_at": 1786957619, "alerts": [], "rank": 1157}, {"candidate_id": "ODC-A4F138", "res_at": 1787659772, "skeleton": "QUMDXJXDPJJEPR", "hf_user": "Ku-ku", "display_name": "KK-M-0825-13", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········F)c1I", "total": 57.428, "axes": {"activity": 19.85, "binding": 15.42, "selectivity": 9.9, "admet": 4.51, "novelty": 4.65, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.791, "fraction": 0.662}, "binding": {"pIC50": 7.31, "LE": 0.417, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.2, "selectivity_term": 0.642, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.11, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.378, "ld50-zhu": 0.435, "herg": 0.685, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.7910711762332605, "aff_pf": -1.3127801815668743, "aff_hs": -0.029166582971811295, "repeats_pf": {"runs": 3, "values": [-1.294, -1.2922, -1.3521], "mean": -1.3128, "spread": 0.0599}, "repeats_hs": {"runs": 3, "values": [0.0686, -0.0212, -0.1349], "mean": -0.0292, "spread": 0.2035}, "at": 1787659772}, "tier": 1, "relegate_reason": [], "submitted_at": 1787659204, "scored_at": 1787659772, "alerts": [], "rank": 1158}, {"candidate_id": "ODC-00A23A", "res_at": 1788226550, "skeleton": "JPXQHMMIOCHGQU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R07", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 57.395, "axes": {"activity": 16.97, "binding": 18.45, "selectivity": 7.77, "admet": 4.99, "novelty": 5.49, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.566}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.951, "efficiency_cap": 0.969}, "selectivity": {"fold": 6.6, "selectivity_term": 0.408, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 0.915, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.624, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.396, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.618126313976631, "aff_pf": -1.854410727818807, "aff_hs": -1.0375925501187642, "repeats_pf": {"runs": 3, "values": [-1.8123, -1.8971, -1.8538], "mean": -1.8544, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [-0.9199, -1.0462, -1.1467], "mean": -1.0376, "spread": 0.2268}, "at": 1788226550}, "tier": 1, "alerts": [], "total_sd": 0.787, "total_ci95": [55.918, 58.923], "relegate_reason": [], "submitted_at": 1788165724, "scored_at": 1788226550, "rank": 1159}, {"candidate_id": "ODC-E25D1D", "res_at": 1788557571, "skeleton": "KRAOQLAPQVBMSA", "hf_user": "1Dmeds", "display_name": "ODC26-S1D07", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 57.388, "axes": {"activity": 15.3, "binding": 17.08, "selectivity": 11.29, "admet": 4.41, "novelty": 5.89, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 7.56, "LE": 0.305, "potency_term": 0.854, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.854}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.601, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.654, "herg": 0.05, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.517996349033096, "aff_pf": -1.5627306699752808, "aff_hs": -0.24059016009171805, "repeats_pf": {"runs": 3, "values": [-1.5663, -1.5566, -1.5654], "mean": -1.5627, "spread": 0.0097}, "repeats_hs": {"runs": 3, "values": [-0.1235, -0.3697, -0.2286], "mean": -0.2406, "spread": 0.2463}, "at": 1788557571}, "tier": 1, "alerts": [], "total_sd": 0.472, "total_ci95": [56.286, 58.179], "relegate_reason": [], "submitted_at": 1788555378, "scored_at": 1788557571, "rank": 1160}, {"candidate_id": "ODC-6C172D", "res_at": 1787717702, "skeleton": "RMXGEYLYLIVMTP", "hf_user": "Ku-ku", "display_name": "KK-M-0826-T2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 57.383, "axes": {"activity": 15.99, "binding": 17.42, "selectivity": 7.24, "admet": 7.84, "novelty": 5.67, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.559, "fraction": 0.533}, "binding": {"pIC50": 7.61, "LE": 0.435, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.6, "per_endpoint": {"solubility-aqsoldb": 0.621, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.547, "cyp3a4-substrate-carbonmangels": 0.448, "ld50-zhu": 0.49, "herg": 0.065, "dili": 0.781}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.5594811362878644, "aff_pf": -1.6127716302871704, "aff_hs": -0.7815912365913391, "repeats_pf": {"runs": 3, "values": [-1.6912, -1.5689, -1.5782], "mean": -1.6128, "spread": 0.1223}, "repeats_hs": {"runs": 3, "values": [-0.9984, -0.6633, -0.683], "mean": -0.7816, "spread": 0.3351}, "at": 1787717702}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787717239, "scored_at": 1787717702, "rank": 1161}, {"candidate_id": "ODC-512769", "res_at": 1788264681, "skeleton": "UKWYNWFGLKNGNQ", "hf_user": "Ku-ku", "display_name": "KK-M-0831-276", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[Se]c··········)n2n1", "total": 57.372, "axes": {"activity": 12.76, "binding": 16.28, "selectivity": 12.38, "admet": 7.68, "novelty": 5.39, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.814, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.2, "selectivity_term": 0.761, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.629, "per_endpoint": {"solubility-aqsoldb": 0.604, "caco2-wang": 0.612, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.714, "cyp3a4-substrate-carbonmangels": 0.778, "ld50-zhu": 0.474, "herg": 0.09, "dili": 0.617}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 5.365398646432828, "aff_pf": -1.4417405525843303, "aff_hs": 0.0796424721678098, "repeats_pf": {"runs": 3, "values": [-1.4447, -1.3893, -1.4912], "mean": -1.4417, "spread": 0.1019}, "repeats_hs": {"runs": 3, "values": [0.0884, 0.1046, 0.0459], "mean": 0.0796, "spread": 0.0588}, "at": 1788264681}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.629, "total_ci95": [56.152, 58.641], "relegate_reason": [], "submitted_at": 1788231434, "scored_at": 1788264681, "rank": 1162}, {"candidate_id": "ODC-BA73F5", "res_at": 1786928253, "skeleton": "COQAWOLQZGTYQP", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-009 diagnostic 80-target", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 57.369, "axes": {"activity": 17.54, "binding": 17.47, "selectivity": 9.12, "admet": 6.27, "novelty": 3.28, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.653, "fraction": 0.585}, "binding": {"pIC50": 7.62, "LE": 0.402, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.522, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.685, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.41, "herg": 0.497, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "1", "pAct_q10": 5.65260773675189, "aff_pf": -1.6200242042541504, "aff_hs": -0.5763213237126669, "repeats_pf": {"runs": 3, "values": [-1.5541, -1.6479, -1.658], "mean": -1.62, "spread": 0.1039}, "repeats_hs": {"runs": 3, "values": [-0.536, -0.5468, -0.6462], "mean": -0.5763, "spread": 0.1102}, "at": 1786928253}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924480, "scored_at": 1786928253, "alerts": [], "rank": 1163}, {"candidate_id": "ODC-80FD29", "res_at": 1786869815, "skeleton": "GRKUIEKEFUWBLU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)cnn1", "total": 57.364, "axes": {"activity": 13.76, "binding": 16.71, "selectivity": 15.26, "admet": 2.79, "novelty": 5.32, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 7.51, "LE": 0.321, "potency_term": 0.836, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.0, "selectivity_term": 0.913, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.223, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.425719392399456, "aff_pf": -1.5065397421518962, "aff_hs": 0.31967807312806445, "repeats_pf": {"runs": 3, "values": [-1.5237, -1.4207, -1.5753], "mean": -1.5065, "spread": 0.1546}, "repeats_hs": {"runs": 3, "values": [0.4272, 0.3558, 0.1761], "mean": 0.3197, "spread": 0.2511}, "at": 1786869815}, "tier": 1, "relegate_reason": [], "submitted_at": 1786864270, "scored_at": 1786869815, "alerts": [], "rank": 1164}, {"candidate_id": "ODC-CCDAFA", "res_at": 1787629827, "skeleton": "DADWHGVPUIMMAK", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 57.364, "axes": {"activity": 30.0, "binding": 9.95, "selectivity": 0.0, "admet": 8.75, "novelty": 7.73, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 6.441, "fraction": 1.0}, "binding": {"pIC50": 6.51, "LE": 0.297, "potency_term": 0.502, "efficiency_cap": 0.99}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.999, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.72, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 5.34}}, "run": {"gpu": "3", "pAct_q10": 6.440601040625722, "aff_pf": -0.5062223970890045, "aff_hs": -0.7536789178848267, "repeats_pf": {"runs": 3, "values": [-0.5274, -0.3064, -0.6849], "mean": -0.5062, "spread": 0.3785}, "repeats_hs": {"runs": 3, "values": [-0.7696, -0.8181, -0.6733], "mean": -0.7537, "spread": 0.1448}, "at": 1787629827}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621985, "scored_at": 1787629827, "alerts": [], "rank": 1165}, {"candidate_id": "ODC-FF094E", "res_at": 1789006585, "skeleton": "LQSTYBNVLBBWJY", "hf_user": "Bio-JS", "display_name": "0910c-S1-01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.353, "axes": {"activity": 15.27, "binding": 17.38, "selectivity": 10.35, "admet": 6.58, "novelty": 3.86, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 7.61, "LE": 0.496, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.596, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.254, "ld50-zhu": 0.473, "herg": 0.83, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.516091357165174, "aff_pf": -1.6072322527567546, "aff_hs": -0.4161338210105896, "repeats_pf": {"runs": 3, "values": [-1.6101, -1.5996, -1.612], "mean": -1.6072, "spread": 0.0124}, "repeats_hs": {"runs": 3, "values": [-0.4359, -0.3632, -0.4493], "mean": -0.4161, "spread": 0.0861}, "at": 1789006585}, "tier": 1, "alerts": [], "total_sd": 0.217, "total_ci95": [57.001, 57.725], "relegate_reason": [], "submitted_at": 1789006191, "scored_at": 1789006585, "rank": 1166}, {"candidate_id": "ODC-656B11", "res_at": 1787174671, "skeleton": "AMUWDGYWYLBCTH", "hf_user": "1Dmeds", "display_name": "ODC26-FN-16", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········cc1Cl", "total": 57.34, "axes": {"activity": 22.85, "binding": 14.23, "selectivity": 7.21, "admet": 5.39, "novelty": 4.2, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.971, "fraction": 0.762}, "binding": {"pIC50": 7.14, "LE": 0.425, "potency_term": 0.712, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.712}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.628, "ld50-zhu": 0.369, "herg": 0.901, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.971243787028035, "aff_pf": -1.1350008249282837, "aff_hs": -0.12187925477822621, "repeats_pf": {"runs": 3, "values": [-0.8988, -1.3443, -1.1618], "mean": -1.135, "spread": 0.4455}, "repeats_hs": {"runs": 3, "values": [-0.1604, -0.0724, -0.1328], "mean": -0.1219, "spread": 0.088}, "at": 1787174671}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171740, "scored_at": 1787174671, "alerts": [], "rank": 1167}, {"candidate_id": "ODC-EEED91", "res_at": 1786870784, "skeleton": "XQFHRRHFOUCCIA", "hf_user": "1Dmeds", "display_name": "ODC26-R3-C6Me", "model_name": "ODC-2026-R3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.333, "axes": {"activity": 16.46, "binding": 14.88, "selectivity": 13.47, "admet": 4.71, "novelty": 4.29, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.549}, "binding": {"pIC50": 7.23, "LE": 0.45, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.7, "selectivity_term": 0.906, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.454, "herg": 0.218, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 5.587486617956606, "aff_pf": -1.231787125269572, "aff_hs": 0.5793700814247131, "repeats_pf": {"runs": 3, "values": [-1.2305, -1.2479, -1.217], "mean": -1.2318, "spread": 0.031}, "repeats_hs": {"runs": 3, "values": [0.6233, 0.5441, 0.5707], "mean": 0.5794, "spread": 0.0792}, "at": 1786870784}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863744, "scored_at": 1786870784, "alerts": [], "rank": 1168}, {"candidate_id": "ODC-CBCF0A", "res_at": 1789882046, "skeleton": "DPBSFPXALAWFMF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.325, "axes": {"activity": 19.14, "binding": 17.49, "selectivity": 7.18, "admet": 5.35, "novelty": 4.37, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.748, "fraction": 0.638}, "binding": {"pIC50": 7.62, "LE": 0.402, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.432, "herg": 0.133, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.748400605934026, "aff_pf": -1.6229571898778279, "aff_hs": -0.8013272086779276, "repeats_pf": {"runs": 3, "values": [-1.6106, -1.644, -1.6142], "mean": -1.623, "spread": 0.0333}, "repeats_hs": {"runs": 3, "values": [-0.9166, -0.6934, -0.794], "mean": -0.8013, "spread": 0.2232}, "at": 1789882046}, "tier": 1, "alerts": [], "total_sd": 0.484, "total_ci95": [56.39, 58.239], "relegate_reason": [], "submitted_at": 1789657716, "scored_at": 1789882046, "rank": 1169}, {"candidate_id": "ODC-344D4D", "res_at": 1787155789, "skeleton": "NTTLKPSZVWHFFA", "hf_user": "takutoyo", "display_name": "PfD8-B5", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC#Cc1c··········nc2n1", "total": 57.324, "axes": {"activity": 21.88, "binding": 14.93, "selectivity": 7.88, "admet": 4.97, "novelty": 4.9, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.913, "fraction": 0.729}, "binding": {"pIC50": 7.24, "LE": 0.397, "potency_term": 0.746, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.371, "herg": 0.437, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.913071556130231, "aff_pf": -1.238968054453532, "aff_hs": -0.18251251180966696, "repeats_pf": {"runs": 3, "values": [-1.2583, -1.2053, -1.2533], "mean": -1.239, "spread": 0.053}, "repeats_hs": {"runs": 3, "values": [-0.1871, -0.0819, -0.2786], "mean": -0.1825, "spread": 0.1968}, "at": 1787155789}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148113, "scored_at": 1787155789, "alerts": [], "rank": 1170}, {"candidate_id": "ODC-B4CC53", "res_at": 1786897918, "skeleton": "UTOBZPKJCHVSKH", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Br", "total": 57.314, "axes": {"activity": 9.7, "binding": 20.0, "selectivity": 10.08, "admet": 7.21, "novelty": 5.59, "synthesis": 4.72}, "detail": {"activity": {"pAct_q10": 5.182, "fraction": 0.323}, "binding": {"pIC50": 8.01, "LE": 0.523, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.341, "herg": 0.459, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "2", "pAct_q10": 5.1820131910315625, "aff_pf": -2.0100770791371665, "aff_hs": -1.0017844239870708, "repeats_pf": {"runs": 3, "values": [-1.9986, -2.005, -2.0266], "mean": -2.0101, "spread": 0.028}, "repeats_hs": {"runs": 3, "values": [-1.0021, -0.9419, -1.0614], "mean": -1.0018, "spread": 0.1195}, "at": 1786897918}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892646, "scored_at": 1786897918, "alerts": [], "rank": 1171}, {"candidate_id": "ODC-132049", "res_at": 1788338121, "skeleton": "VNLYMOBAWBDOIQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-FW-05-desF-SCF3", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 57.306, "axes": {"activity": 16.9, "binding": 15.54, "selectivity": 13.07, "admet": 3.31, "novelty": 5.34, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.614, "fraction": 0.563}, "binding": {"pIC50": 7.51, "LE": 0.278, "potency_term": 0.838, "efficiency_cap": 0.927}, "selectivity": {"fold": 36.4, "selectivity_term": 0.78, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.12, "caco2-wang": 0.462, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.05, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.613855428657457, "aff_pf": -1.5133374134699504, "aff_hs": 0.04727740213274956, "repeats_pf": {"runs": 3, "values": [-1.5034, -1.5106, -1.5261], "mean": -1.5133, "spread": 0.0227}, "repeats_hs": {"runs": 3, "values": [-0.0273, 0.0519, 0.1172], "mean": 0.0473, "spread": 0.1445}, "at": 1788338121}, "tier": 1, "alerts": [], "total_sd": 0.351, "total_ci95": [56.682, 57.924], "relegate_reason": [], "submitted_at": 1788337009, "scored_at": 1788338121, "rank": 1172}, {"candidate_id": "ODC-47E2D8", "res_at": 1789926064, "skeleton": "VSUHPNYDAFUKBU", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.282, "axes": {"activity": 15.16, "binding": 18.48, "selectivity": 9.95, "admet": 6.08, "novelty": 4.38, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.505}, "binding": {"pIC50": 7.77, "LE": 0.463, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.538, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.514, "ld50-zhu": 0.559, "herg": 0.824, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 5.509519378306299, "aff_pf": -1.7722156047821045, "aff_hs": -0.69551153977712, "repeats_pf": {"runs": 3, "values": [-1.7578, -1.6922, -1.8667], "mean": -1.7722, "spread": 0.1745}, "repeats_hs": {"runs": 3, "values": [-0.7074, -0.7145, -0.6646], "mean": -0.6955, "spread": 0.05}, "at": 1789926064}, "tier": 1, "alerts": [], "total_sd": 1.019, "total_ci95": [55.476, 59.598], "relegate_reason": [], "submitted_at": 1789918899, "scored_at": 1789926064, "rank": 1173}, {"candidate_id": "ODC-A8D6D3", "res_at": 1788050296, "skeleton": "JHHIBAJMYMTSJT", "hf_user": "Ku-ku", "display_name": "KK-M-0829-130", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1CCc2··········F)c21", "total": 57.278, "axes": {"activity": 24.91, "binding": 16.22, "selectivity": 3.72, "admet": 3.69, "novelty": 6.06, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 6.095, "fraction": 0.83}, "binding": {"pIC50": 7.43, "LE": 0.377, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.229, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.5, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 6.094873689816576, "aff_pf": -1.4335017601648967, "aff_hs": -0.9745097955067953, "repeats_pf": {"runs": 3, "values": [-1.4473, -1.3735, -1.4797], "mean": -1.4335, "spread": 0.1062}, "repeats_hs": {"runs": 3, "values": [-0.6027, -1.1961, -1.1247], "mean": -0.9745, "spread": 0.5935}, "at": 1788050296}, "tier": 1, "alerts": [], "total_sd": 1.207, "total_ci95": [55.123, 59.488], "relegate_reason": [], "submitted_at": 1787992161, "scored_at": 1788050296, "rank": 1174}, {"candidate_id": "ODC-D1A446", "res_at": 1787703371, "skeleton": "XVCCQBMKABIWDK", "hf_user": "Bio-JS", "display_name": "요인 S고리 × 플루오로메틸 [음의 대조]", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.243, "axes": {"activity": 17.62, "binding": 15.9, "selectivity": 12.15, "admet": 3.09, "novelty": 5.36, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.657, "fraction": 0.587}, "binding": {"pIC50": 7.56, "LE": 0.28, "potency_term": 0.852, "efficiency_cap": 0.933}, "selectivity": {"fold": 26.6, "selectivity_term": 0.713, "target_engagement": 0.852}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.26, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.656939562987361, "aff_pf": -1.5573217471440632, "aff_hs": -0.1318462292353312, "repeats_pf": {"runs": 3, "values": [-1.4797, -1.5834, -1.6089], "mean": -1.5573, "spread": 0.1292}, "repeats_hs": {"runs": 3, "values": [-0.0824, -0.1588, -0.1543], "mean": -0.1318, "spread": 0.0763}, "at": 1787703371}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702777, "scored_at": 1787703371, "alerts": [], "rank": 1175}, {"candidate_id": "ODC-5CD376", "res_at": 1787331490, "skeleton": "FZRZFRURFOZYGU", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)c(C)c(Nc3ccc(C(F)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 57.195, "axes": {"activity": 16.76, "binding": 15.69, "selectivity": 12.4, "admet": 4.44, "novelty": 4.37, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.605, "fraction": 0.559}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.785, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.0, "selectivity_term": 0.79, "target_engagement": 0.785}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.574, "herg": 0.2, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.6054449737633325, "aff_pf": -1.3540633916854858, "aff_hs": 0.22598818441232046, "repeats_pf": {"runs": 3, "values": [-1.295, -1.4036, -1.3636], "mean": -1.3541, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [0.2846, 0.1274, 0.266], "mean": 0.226, "spread": 0.1571}, "at": 1787331490}, "tier": 1, "relegate_reason": [], "submitted_at": 1787331267, "scored_at": 1787331490, "alerts": [], "rank": 1176}, {"candidate_id": "ODC-DD23AE", "res_at": 1787082781, "skeleton": "XUAAVLROHPXTLP", "hf_user": "1Dmeds", "display_name": "ODC26-MB-22", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········cc1Br", "total": 57.192, "axes": {"activity": 22.88, "binding": 13.95, "selectivity": 6.89, "admet": 5.53, "novelty": 5.08, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.973, "fraction": 0.763}, "binding": {"pIC50": 7.09, "LE": 0.389, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.568, "herg": 0.678, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.972942643278873, "aff_pf": -1.0922191739082336, "aff_hs": -0.10497578978538513, "repeats_pf": {"runs": 3, "values": [-1.1281, -0.9454, -1.2032], "mean": -1.0922, "spread": 0.2578}, "repeats_hs": {"runs": 3, "values": [-0.1751, -0.1642, 0.0243], "mean": -0.105, "spread": 0.1994}, "at": 1787082781}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069741, "scored_at": 1787082781, "alerts": [], "rank": 1177}, {"candidate_id": "ODC-B8E3B8", "res_at": 1787242256, "skeleton": "DNMPICBRLWHTOV", "hf_user": "Ku-ku", "display_name": "N2_5Cl", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 57.182, "axes": {"activity": 22.79, "binding": 12.12, "selectivity": 9.85, "admet": 4.98, "novelty": 4.07, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.967, "fraction": 0.76}, "binding": {"pIC50": 6.82, "LE": 0.425, "potency_term": 0.606, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.2, "selectivity_term": 0.813, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 0.508, "ld50-zhu": 0.362, "herg": 0.792, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.9671732575654, "aff_pf": -0.8186049064000448, "aff_hs": 0.8067524631818136, "repeats_pf": {"runs": 3, "values": [-0.8581, -0.7895, -0.8082], "mean": -0.8186, "spread": 0.0686}, "repeats_hs": {"runs": 3, "values": [0.5365, 0.7297, 1.1541], "mean": 0.8068, "spread": 0.6175}, "at": 1787242256}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238140, "scored_at": 1787242256, "alerts": [], "rank": 1178}, {"candidate_id": "ODC-9C1E4F", "res_at": 1788561716, "skeleton": "ZFMABIHLLYJCRK", "hf_user": "1Dmeds", "display_name": "ODC26-S1D14", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 57.155, "axes": {"activity": 18.5, "binding": 15.15, "selectivity": 10.68, "admet": 4.59, "novelty": 5.28, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.71, "fraction": 0.617}, "binding": {"pIC50": 7.42, "LE": 0.282, "potency_term": 0.805, "efficiency_cap": 0.941}, "selectivity": {"fold": 21.2, "selectivity_term": 0.663, "target_engagement": 0.805}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.592, "caco2-wang": 0.315, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.709718457148689, "aff_pf": -1.4157634576161702, "aff_hs": -0.09004223843415578, "repeats_pf": {"runs": 3, "values": [-1.3755, -1.4613, -1.4105], "mean": -1.4158, "spread": 0.0858}, "repeats_hs": {"runs": 3, "values": [0.0986, -0.2877, -0.081], "mean": -0.09, "spread": 0.3864}, "at": 1788561716}, "tier": 1, "alerts": [], "total_sd": 0.95, "total_ci95": [55.339, 59.004], "relegate_reason": [], "submitted_at": 1788555451, "scored_at": 1788561716, "rank": 1179}, {"candidate_id": "ODC-2BDEAC", "res_at": 1786851068, "skeleton": "YIFXXVQCQCYHCX", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.145, "axes": {"activity": 14.28, "binding": 18.07, "selectivity": 10.44, "admet": 6.72, "novelty": 3.82, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.457, "fraction": 0.476}, "binding": {"pIC50": 7.71, "LE": 0.423, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.3, "selectivity_term": 0.577, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.406, "ld50-zhu": 0.569, "herg": 0.419, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.456788725019937, "aff_pf": -1.710726261138916, "aff_hs": -0.5557999809583029, "repeats_pf": {"runs": 3, "values": [-1.7622, -1.6115, -1.7585], "mean": -1.7107, "spread": 0.1506}, "repeats_hs": {"runs": 3, "values": [-0.5474, -0.5572, -0.5628], "mean": -0.5558, "spread": 0.0154}, "at": 1786851068}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847202, "scored_at": 1786851068, "alerts": [], "rank": 1180}, {"candidate_id": "ODC-5594FC", "res_at": 1787454231, "skeleton": "ACLWPZFDOMDEQI", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 57.144, "axes": {"activity": 14.21, "binding": 14.72, "selectivity": 14.28, "admet": 6.31, "novelty": 4.87, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.453, "fraction": 0.474}, "binding": {"pIC50": 7.21, "LE": 0.411, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 87.3, "selectivity_term": 0.971, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.572, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.439, "ld50-zhu": 0.683, "herg": 0.801, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.452859835420258, "aff_pf": -1.2076314290364583, "aff_hs": 0.7335872252782186, "repeats_pf": {"runs": 3, "values": [-1.2009, -1.2106, -1.2115], "mean": -1.2076, "spread": 0.0106}, "repeats_hs": {"runs": 3, "values": [0.6821, 0.803, 0.7157], "mean": 0.7336, "spread": 0.1208}, "at": 1787454231}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453330, "scored_at": 1787454231, "alerts": [], "rank": 1181}, {"candidate_id": "ODC-0CAAD0", "res_at": 1788068618, "skeleton": "XYCUNICVLAFPMG", "hf_user": "Bio-JS", "display_name": "19 A6 2-F/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.136, "axes": {"activity": 22.76, "binding": 13.76, "selectivity": 8.45, "admet": 3.92, "novelty": 5.17, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.966, "fraction": 0.759}, "binding": {"pIC50": 7.29, "LE": 0.27, "potency_term": 0.764, "efficiency_cap": 0.9}, "selectivity": {"fold": 12.7, "selectivity_term": 0.553, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.747, "herg": 0.05, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.965571336401277, "aff_pf": -1.2932684818903606, "aff_hs": -0.18811975419521332, "repeats_pf": {"runs": 3, "values": [-1.1509, -1.4003, -1.3286], "mean": -1.2933, "spread": 0.2494}, "repeats_hs": {"runs": 3, "values": [-0.1195, -0.1772, -0.2676], "mean": -0.1881, "spread": 0.1481}, "at": 1788068618}, "tier": 1, "alerts": [], "total_sd": 1.2, "total_ci95": [54.976, 59.327], "relegate_reason": [], "submitted_at": 1788017462, "scored_at": 1788068618, "rank": 1182}, {"candidate_id": "ODC-FD5504", "res_at": 1786909324, "skeleton": "AGEONIXVJQTUKB", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 57.128, "axes": {"activity": 21.02, "binding": 12.7, "selectivity": 11.4, "admet": 4.63, "novelty": 4.42, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.861, "fraction": 0.701}, "binding": {"pIC50": 6.91, "LE": 0.394, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 62.4, "selectivity_term": 0.897, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.714, "ld50-zhu": 0.368, "herg": 0.56, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.86138175082605, "aff_pf": -0.9053448438644409, "aff_hs": 0.8895465532938639, "repeats_pf": {"runs": 3, "values": [-0.8706, -0.9212, -0.9243], "mean": -0.9053, "spread": 0.0537}, "repeats_hs": {"runs": 3, "values": [0.6548, 1.0074, 1.0065], "mean": 0.8895, "spread": 0.3526}, "at": 1786909324}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899514, "scored_at": 1786909324, "alerts": [], "rank": 1183}, {"candidate_id": "ODC-BF66C7", "res_at": 1786938079, "skeleton": "QNTMMSYLSRWINZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 57.127, "axes": {"activity": 18.16, "binding": 16.41, "selectivity": 8.24, "admet": 5.82, "novelty": 5.0, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.69, "fraction": 0.605}, "binding": {"pIC50": 7.46, "LE": 0.426, "potency_term": 0.821, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.502, "target_engagement": 0.821}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.311, "ld50-zhu": 0.5, "herg": 0.474, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.689536044963005, "aff_pf": -1.4621747334798176, "aff_hs": -0.4582487841447194, "repeats_pf": {"runs": 3, "values": [-1.4513, -1.3943, -1.5409], "mean": -1.4622, "spread": 0.1467}, "repeats_hs": {"runs": 3, "values": [-0.4497, -0.4269, -0.4981], "mean": -0.4582, "spread": 0.0712}, "at": 1786938079}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933303, "scored_at": 1786938079, "alerts": [], "rank": 1184}, {"candidate_id": "ODC-0100AA", "res_at": 1789213008, "skeleton": "DTQKFJMNJWJPKV", "hf_user": "Ku-ku", "display_name": "KK-M-0912-376", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 57.096, "axes": {"activity": 15.45, "binding": 17.11, "selectivity": 8.41, "admet": 8.3, "novelty": 4.42, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.527, "fraction": 0.515}, "binding": {"pIC50": 7.57, "LE": 0.451, "potency_term": 0.855, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.492, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.646, "per_endpoint": {"solubility-aqsoldb": 0.67, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.677, "cyp3a4-substrate-carbonmangels": 0.816, "ld50-zhu": 0.389, "herg": 0.168, "dili": 0.605}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.527095543325649, "aff_pf": -1.5662039120992024, "aff_hs": -0.5830545624097189, "repeats_pf": {"runs": 3, "values": [-1.518, -1.5617, -1.6189], "mean": -1.5662, "spread": 0.101}, "repeats_hs": {"runs": 3, "values": [-0.6494, -0.7705, -0.3292], "mean": -0.5831, "spread": 0.4413}, "at": 1789213008}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.165, "total_ci95": [55.013, 59.641], "relegate_reason": [], "submitted_at": 1789179631, "scored_at": 1789213008, "rank": 1185}, {"candidate_id": "ODC-C3227E", "res_at": 1788481040, "skeleton": "PHPCKKPFZYVRHE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-05", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 57.09, "axes": {"activity": 21.28, "binding": 13.23, "selectivity": 12.06, "admet": 2.99, "novelty": 4.61, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.877, "fraction": 0.709}, "binding": {"pIC50": 7.18, "LE": 0.273, "potency_term": 0.726, "efficiency_cap": 0.911}, "selectivity": {"fold": 45.8, "selectivity_term": 0.831, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.144, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.595, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.87692633523168, "aff_pf": -1.1787681976954143, "aff_hs": 0.4824034770329793, "repeats_pf": {"runs": 3, "values": [-1.1635, -1.1442, -1.2286], "mean": -1.1788, "spread": 0.0844}, "repeats_hs": {"runs": 3, "values": [0.375, 0.5548, 0.5173], "mean": 0.4824, "spread": 0.1798}, "at": 1788481040}, "tier": 1, "alerts": [], "total_sd": 0.527, "total_ci95": [56.081, 58.025], "relegate_reason": [], "submitted_at": 1788419606, "scored_at": 1788481040, "rank": 1186}, {"candidate_id": "ODC-B102CB", "res_at": 1787712300, "skeleton": "SWGBQYCBKZVLNJ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 57.058, "axes": {"activity": 28.43, "binding": 10.35, "selectivity": 1.49, "admet": 8.2, "novelty": 7.33, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 6.306, "fraction": 0.948}, "binding": {"pIC50": 6.6, "LE": 0.292, "potency_term": 0.533, "efficiency_cap": 0.972}, "selectivity": {"fold": 1.9, "selectivity_term": 0.14, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.498, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.858, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 5.07}}, "run": {"gpu": "3", "pAct_q10": 6.30581494530128, "aff_pf": -0.5976770420869192, "aff_hs": -0.3186248242855072, "repeats_pf": {"runs": 3, "values": [-0.6471, -0.4974, -0.6485], "mean": -0.5977, "spread": 0.1512}, "repeats_hs": {"runs": 3, "values": [-0.3513, -0.3467, -0.2579], "mean": -0.3186, "spread": 0.0934}, "at": 1787712300}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712092, "scored_at": 1787712300, "alerts": [], "rank": 1187}, {"candidate_id": "ODC-9D9342", "res_at": 1788438497, "skeleton": "ICXPXQLLYNWPMA", "hf_user": "Bio-JS", "display_name": "0903-S1-24 oF_mF/oxetane/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 57.048, "axes": {"activity": 17.94, "binding": 15.13, "selectivity": 13.04, "admet": 3.43, "novelty": 5.36, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.676, "fraction": 0.598}, "binding": {"pIC50": 7.51, "LE": 0.271, "potency_term": 0.838, "efficiency_cap": 0.903}, "selectivity": {"fold": 36.0, "selectivity_term": 0.778, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.586, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.693, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "0", "pAct_q10": 5.676211784585518, "aff_pf": -1.513613224029541, "aff_hs": 0.042283122738202415, "repeats_pf": {"runs": 3, "values": [-1.4727, -1.4434, -1.6248], "mean": -1.5136, "spread": 0.1814}, "repeats_hs": {"runs": 3, "values": [0.0182, 0.0544, 0.0543], "mean": 0.0423, "spread": 0.0361}, "at": 1788438497}, "tier": 1, "alerts": [], "total_sd": 1.191, "total_ci95": [55.211, 60.048], "relegate_reason": [], "submitted_at": 1788362872, "scored_at": 1788438497, "rank": 1188}, {"candidate_id": "ODC-DE1486", "res_at": 1789007127, "skeleton": "NPVCDOAMPLKNPH", "hf_user": "Bio-JS", "display_name": "0910c-S1-02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.046, "axes": {"activity": 12.63, "binding": 17.8, "selectivity": 11.19, "admet": 6.8, "novelty": 4.37, "synthesis": 4.26}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 7.67, "LE": 0.525, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.62, "ld50-zhu": 0.338, "herg": 0.482, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.357594995256939, "aff_pf": -1.6697171529134114, "aff_hs": -0.41261112689971924, "repeats_pf": {"runs": 3, "values": [-1.6769, -1.6301, -1.7022], "mean": -1.6697, "spread": 0.0721}, "repeats_hs": {"runs": 3, "values": [-0.4462, -0.3861, -0.4055], "mean": -0.4126, "spread": 0.0601}, "at": 1789007127}, "tier": 1, "alerts": [], "total_sd": 0.484, "total_ci95": [56.096, 57.842], "relegate_reason": [], "submitted_at": 1789006196, "scored_at": 1789007127, "rank": 1189}, {"candidate_id": "ODC-EEB42B", "res_at": 1787952840, "skeleton": "DPDWFDGGWKSGQX", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C1)C2", "total": 57.029, "axes": {"activity": 30.0, "binding": 12.57, "selectivity": 0.0, "admet": 3.94, "novelty": 7.5, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 6.542, "fraction": 1.0}, "binding": {"pIC50": 6.89, "LE": 0.314, "potency_term": 0.628, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.507, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.502, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.803, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "3", "pAct_q10": 6.542339300672367, "aff_pf": -0.8851473132769266, "aff_hs": -1.5143129428227742, "repeats_pf": {"runs": 3, "values": [-0.9008, -0.9032, -0.8515], "mean": -0.8851, "spread": 0.0517}, "repeats_hs": {"runs": 3, "values": [-1.5368, -1.5103, -1.4959], "mean": -1.5143, "spread": 0.0409}, "at": 1787952840}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946077, "scored_at": 1787952840, "alerts": [], "rank": 1190}, {"candidate_id": "ODC-F39F05", "res_at": 1787150235, "skeleton": "YFUBREUOBDEQHY", "hf_user": "takutoyo", "display_name": "PfD8-A5", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 57.017, "axes": {"activity": 21.75, "binding": 14.75, "selectivity": 7.98, "admet": 4.97, "novelty": 4.73, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.905, "fraction": 0.725}, "binding": {"pIC50": 7.21, "LE": 0.412, "potency_term": 0.738, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.152, "cyp3a4-substrate-carbonmangels": 0.714, "ld50-zhu": 0.391, "herg": 0.7, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.905091537225729, "aff_pf": -1.2130389213562012, "aff_hs": -0.13160033027331033, "repeats_pf": {"runs": 3, "values": [-1.1621, -1.2266, -1.2504], "mean": -1.213, "spread": 0.0883}, "repeats_hs": {"runs": 3, "values": [-0.0272, 0.0031, -0.3707], "mean": -0.1316, "spread": 0.3737}, "at": 1787150235}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147974, "scored_at": 1787150235, "alerts": [], "rank": 1191}, {"candidate_id": "ODC-485032", "res_at": 1786910236, "skeleton": "ZZQPIIGHNWDDMM", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.013, "axes": {"activity": 23.95, "binding": 13.93, "selectivity": 6.3, "admet": 5.11, "novelty": 4.12, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 6.037, "fraction": 0.798}, "binding": {"pIC50": 7.09, "LE": 0.36, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.523, "ld50-zhu": 0.593, "herg": 0.082, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 6.036980497078371, "aff_pf": -1.089189926783244, "aff_hs": -0.18488242228825888, "repeats_pf": {"runs": 3, "values": [-1.1196, -1.0332, -1.1148], "mean": -1.0892, "spread": 0.0864}, "repeats_hs": {"runs": 3, "values": [-0.2967, -0.1782, -0.0798], "mean": -0.1849, "spread": 0.217}, "at": 1786910236}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900929, "scored_at": 1786910236, "alerts": [], "rank": 1192}, {"candidate_id": "ODC-AED6B7", "res_at": 1787588097, "skeleton": "LCEMHRUAQYMOGC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 57.009, "axes": {"activity": 13.8, "binding": 18.83, "selectivity": 10.07, "admet": 6.29, "novelty": 4.03, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.428, "fraction": 0.46}, "binding": {"pIC50": 7.82, "LE": 0.412, "potency_term": 0.941, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.941}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.474, "herg": 0.39, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.571, "novelty": 0.429}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.428073132908965, "aff_pf": -1.8240013519922893, "aff_hs": -0.7541655898094177, "repeats_pf": {"runs": 3, "values": [-1.7805, -1.8182, -1.8733], "mean": -1.824, "spread": 0.0929}, "repeats_hs": {"runs": 3, "values": [-0.7269, -0.8049, -0.7307], "mean": -0.7542, "spread": 0.078}, "at": 1787588097}, "tier": 1, "relegate_reason": [], "submitted_at": 1787584333, "scored_at": 1787588097, "alerts": [], "rank": 1193}, {"candidate_id": "ODC-22705F", "res_at": 1788294800, "skeleton": "QVSWPVPRRDHLAW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV33", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 56.977, "axes": {"activity": 30.0, "binding": 10.15, "selectivity": 2.4, "admet": 4.81, "novelty": 6.9, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 6.642, "fraction": 1.0}, "binding": {"pIC50": 6.61, "LE": 0.283, "potency_term": 0.538, "efficiency_cap": 0.944}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 0.867, "pgp-broccatelli": 0.188, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.92, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 4.11}}, "run": {"gpu": "0", "pAct_q10": 6.641643487878629, "aff_pf": -0.6138604680697123, "aff_hs": -0.16735776762167612, "repeats_pf": {"runs": 3, "values": [-0.601, -0.5951, -0.6455], "mean": -0.6139, "spread": 0.0504}, "repeats_hs": {"runs": 3, "values": [-0.3445, 0.0024, -0.1599], "mean": -0.1674, "spread": 0.3469}, "at": 1788294800}, "tier": 1, "alerts": [], "total_sd": 0.459, "total_ci95": [56.143, 57.92], "relegate_reason": [], "submitted_at": 1788269732, "scored_at": 1788294800, "rank": 1194}, {"candidate_id": "ODC-E64940", "res_at": 1789973929, "skeleton": "MFJGFPHVFFJUPM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 56.976, "axes": {"activity": 14.45, "binding": 15.95, "selectivity": 13.64, "admet": 4.88, "novelty": 4.4, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.39, "LE": 0.46, "potency_term": 0.797, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.4, "selectivity_term": 0.855, "target_engagement": 0.797}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.52, "ld50-zhu": 0.352, "herg": 0.324, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.466751266808989, "aff_pf": -1.391843358675639, "aff_hs": 0.31894784172375995, "repeats_pf": {"runs": 3, "values": [-1.358, -1.4217, -1.3959], "mean": -1.3918, "spread": 0.0636}, "repeats_hs": {"runs": 3, "values": [0.1475, 0.4181, 0.3912], "mean": 0.3189, "spread": 0.2706}, "at": 1789973929}, "tier": 1, "alerts": [], "total_sd": 0.617, "total_ci95": [55.718, 58.178], "relegate_reason": [], "submitted_at": 1789949312, "scored_at": 1789973929, "rank": 1195}, {"candidate_id": "ODC-D85B00", "res_at": 1788603628, "skeleton": "ZZKNXBIXFFYGAV", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-20C]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(F··········23)c1", "total": 56.965, "axes": {"activity": 25.73, "binding": 11.46, "selectivity": 4.37, "admet": 6.04, "novelty": 5.59, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.144, "fraction": 0.858}, "binding": {"pIC50": 6.72, "LE": 0.368, "potency_term": 0.573, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.652, "herg": 0.133, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 6.1435287974469395, "aff_pf": -0.7182889382044474, "aff_hs": 0.044265041748682656, "repeats_pf": {"runs": 3, "values": [-0.7268, -0.6519, -0.7761], "mean": -0.7183, "spread": 0.1242}, "repeats_hs": {"runs": 3, "values": [-0.1275, -0.0947, 0.355], "mean": 0.0443, "spread": 0.4825}, "at": 1788603628}, "tier": 1, "alerts": [], "total_sd": 0.87, "total_ci95": [55.453, 58.532], "relegate_reason": [], "submitted_at": 1788588715, "scored_at": 1788603628, "rank": 1196}, {"candidate_id": "ODC-8E483C", "res_at": 1788585560, "skeleton": "TWUABXIOIQCDGK", "hf_user": "Bio-JS", "display_name": "0905-S1-04 SCHF2/CN/MeCF2/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 56.964, "axes": {"activity": 21.53, "binding": 15.43, "selectivity": 8.57, "admet": 3.82, "novelty": 4.58, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.892, "fraction": 0.718}, "binding": {"pIC50": 7.31, "LE": 0.371, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.556, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.552, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.8919678096442984, "aff_pf": -1.3139011065165203, "aff_hs": -0.2026024709145228, "repeats_pf": {"runs": 3, "values": [-1.3229, -1.2766, -1.3422], "mean": -1.3139, "spread": 0.0656}, "repeats_hs": {"runs": 3, "values": [0.0007, -0.3424, -0.2661], "mean": -0.2026, "spread": 0.3432}, "at": 1788585560}, "tier": 1, "alerts": [], "total_sd": 0.701, "total_ci95": [55.538, 58.36], "relegate_reason": [], "submitted_at": 1788559883, "scored_at": 1788585560, "rank": 1197}, {"candidate_id": "ODC-6A54D0", "res_at": 1787136616, "skeleton": "VLPKLPXNZJXZOY", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.932, "axes": {"activity": 11.34, "binding": 18.34, "selectivity": 12.11, "admet": 6.03, "novelty": 5.13, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 7.75, "LE": 0.425, "potency_term": 0.917, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 0.917}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.609, "herg": 0.267, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.280176565868557, "aff_pf": -1.7512345711390178, "aff_hs": -0.43089065949122113, "repeats_pf": {"runs": 3, "values": [-1.7215, -1.7526, -1.7796], "mean": -1.7512, "spread": 0.0581}, "repeats_hs": {"runs": 3, "values": [-0.4114, -0.5255, -0.3557], "mean": -0.4309, "spread": 0.1698}, "at": 1787136616}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135481, "scored_at": 1787136616, "alerts": [], "rank": 1198}, {"candidate_id": "ODC-A33F7B", "res_at": 1789330216, "skeleton": "SMRAZSTUKRWHSH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.927, "axes": {"activity": 14.5, "binding": 16.67, "selectivity": 11.23, "admet": 6.2, "novelty": 4.75, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.47, "fraction": 0.483}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.2, "selectivity_term": 0.674, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.303, "ld50-zhu": 0.899, "herg": 0.32, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.470216191601734, "aff_pf": -1.500942309697469, "aff_hs": -0.15391927460829416, "repeats_pf": {"runs": 3, "values": [-1.4656, -1.5234, -1.5138], "mean": -1.5009, "spread": 0.0578}, "repeats_hs": {"runs": 3, "values": [-0.2, -0.0403, -0.2215], "mean": -0.1539, "spread": 0.1812}, "at": 1789330216}, "tier": 1, "alerts": [], "total_sd": 0.543, "total_ci95": [56.0, 58.205], "relegate_reason": [], "submitted_at": 1789320980, "scored_at": 1789330216, "rank": 1199}, {"candidate_id": "ODC-1A22C4", "res_at": 1787065269, "skeleton": "KQBSNKQAKVQLFY", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LH01", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.924, "axes": {"activity": 10.34, "binding": 17.49, "selectivity": 15.85, "admet": 6.22, "novelty": 3.18, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.22, "fraction": 0.345}, "binding": {"pIC50": 7.62, "LE": 0.454, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.9, "selectivity_term": 0.906, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.382, "herg": 0.846, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.2203500644799306, "aff_pf": -1.623476266860962, "aff_hs": 0.1887485235929489, "repeats_pf": {"runs": 3, "values": [-1.566, -1.6526, -1.6519], "mean": -1.6235, "spread": 0.0866}, "repeats_hs": {"runs": 3, "values": [0.1203, 0.2798, 0.1661], "mean": 0.1887, "spread": 0.1595}, "at": 1787065269}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064672, "scored_at": 1787065269, "alerts": [], "rank": 1200}, {"candidate_id": "ODC-6EFC6A", "res_at": 1789019126, "skeleton": "OJKOKAHTHBXEQX", "hf_user": "Ku-ku", "display_name": "KK-M-0910-692", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)[S··········)n2n1", "total": 56.923, "axes": {"activity": 16.22, "binding": 14.89, "selectivity": 11.36, "admet": 7.34, "novelty": 4.93, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.573, "fraction": 0.541}, "binding": {"pIC50": 7.23, "LE": 0.367, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.658, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 0.84, "ld50-zhu": 0.61, "herg": 0.543, "dili": 0.353}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "0", "pAct_q10": 5.573039874104582, "aff_pf": -1.233163595199585, "aff_hs": 0.2927024761835734, "repeats_pf": {"runs": 3, "values": [-1.1346, -1.2788, -1.2861], "mean": -1.2332, "spread": 0.1515}, "repeats_hs": {"runs": 3, "values": [0.3449, 0.2482, 0.285], "mean": 0.2927, "spread": 0.0967}, "at": 1789019126}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.035, "total_ci95": [54.568, 58.537], "relegate_reason": [], "submitted_at": 1789015926, "scored_at": 1789019126, "rank": 1201}, {"candidate_id": "ODC-AC348C", "res_at": 1787082430, "skeleton": "ULQCGFUTUKBIPT", "hf_user": "1Dmeds", "display_name": "ODC26-MB-17", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.921, "axes": {"activity": 18.07, "binding": 17.7, "selectivity": 7.85, "admet": 5.02, "novelty": 4.28, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 5.684, "fraction": 0.602}, "binding": {"pIC50": 7.65, "LE": 0.403, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.475, "herg": 0.056, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.684278427586771, "aff_pf": -1.6547866662343342, "aff_hs": -0.7674539784590403, "repeats_pf": {"runs": 3, "values": [-1.66, -1.6444, -1.66], "mean": -1.6548, "spread": 0.0155}, "repeats_hs": {"runs": 3, "values": [-0.9677, -0.9108, -0.4238], "mean": -0.7675, "spread": 0.5438}, "at": 1787082430}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069704, "scored_at": 1787082430, "alerts": [], "rank": 1202}, {"candidate_id": "ODC-74FBFA", "res_at": 1787085023, "skeleton": "MOPLQBLVYUEKPQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 56.92, "axes": {"activity": 14.31, "binding": 14.54, "selectivity": 14.54, "admet": 5.87, "novelty": 4.74, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 7.18, "LE": 0.428, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 116.4, "selectivity_term": 1.0, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.626, "herg": 0.652, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 5.4587816042489825, "aff_pf": -1.1809293429056804, "aff_hs": 0.8850697080294291, "repeats_pf": {"runs": 3, "values": [-1.1829, -1.2054, -1.1545], "mean": -1.1809, "spread": 0.0509}, "repeats_hs": {"runs": 3, "values": [0.744, 0.8511, 1.0601], "mean": 0.8851, "spread": 0.3162}, "at": 1787085023}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074071, "scored_at": 1787085023, "alerts": [], "rank": 1203}, {"candidate_id": "ODC-DE69BE", "res_at": 1786903404, "skeleton": "NZIBEYHPQLQVAP", "hf_user": "ipsych", "display_name": "TPX-Cl5-SMe-4Br3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.912, "axes": {"activity": 10.91, "binding": 18.02, "selectivity": 14.58, "admet": 5.64, "novelty": 3.71, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.254, "fraction": 0.364}, "binding": {"pIC50": 7.7, "LE": 0.503, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.6, "selectivity_term": 0.809, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.72, "ld50-zhu": 0.386, "herg": 0.376, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.588, "novelty": 0.412}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.25433170793516, "aff_pf": -1.7025656302769978, "aff_hs": -0.08377681424220403, "repeats_pf": {"runs": 3, "values": [-1.7088, -1.687, -1.7118], "mean": -1.7026, "spread": 0.0248}, "repeats_hs": {"runs": 3, "values": [0.1063, -0.0553, -0.3023], "mean": -0.0838, "spread": 0.4085}, "at": 1786903404}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891110, "scored_at": 1786903404, "alerts": [], "rank": 1204}, {"candidate_id": "ODC-39435B", "res_at": 1787628924, "skeleton": "CKECTFTYJWTOIS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 56.91, "axes": {"activity": 28.57, "binding": 9.47, "selectivity": 1.09, "admet": 8.87, "novelty": 7.3, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 6.314, "fraction": 0.952}, "binding": {"pIC50": 6.45, "LE": 0.294, "potency_term": 0.482, "efficiency_cap": 0.981}, "selectivity": {"fold": 1.7, "selectivity_term": 0.113, "target_engagement": 0.482}, "admet": {"geometric_mean": 0.621, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.833, "cyp3a4-substrate-carbonmangels": 0.3, "ld50-zhu": 0.901, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.81}}, "run": {"gpu": "3", "pAct_q10": 6.3139002359155, "aff_pf": -0.44726812839508057, "aff_hs": -0.22029775381088257, "repeats_pf": {"runs": 3, "values": [-0.4452, -0.3866, -0.5101], "mean": -0.4473, "spread": 0.1235}, "repeats_hs": {"runs": 3, "values": [-0.3097, -0.1885, -0.1626], "mean": -0.2203, "spread": 0.1471}, "at": 1787628924}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621930, "scored_at": 1787628924, "alerts": [], "rank": 1205}, {"candidate_id": "ODC-12DD63", "res_at": 1788576883, "skeleton": "ZHMOYYYZRBRNQO", "hf_user": "Bio-JS", "display_name": "0905-S1-16 SMe/CN/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.908, "axes": {"activity": 15.85, "binding": 14.71, "selectivity": 14.67, "admet": 4.81, "novelty": 3.61, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.551, "fraction": 0.528}, "binding": {"pIC50": 7.21, "LE": 0.449, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 98.7, "selectivity_term": 0.997, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.422, "herg": 0.526, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.55071578040558, "aff_pf": -1.2060528198877971, "aff_hs": 0.7883831461270651, "repeats_pf": {"runs": 3, "values": [-1.3132, -1.1218, -1.1832], "mean": -1.2061, "spread": 0.1914}, "repeats_hs": {"runs": 3, "values": [0.8279, 0.8479, 0.6894], "mean": 0.7884, "spread": 0.1585}, "at": 1788576883}, "tier": 1, "alerts": [], "total_sd": 1.072, "total_ci95": [54.744, 58.945], "relegate_reason": [], "submitted_at": 1788560225, "scored_at": 1788576883, "rank": 1206}, {"candidate_id": "ODC-BA3539", "res_at": 1787908985, "skeleton": "KCWMDAAYOAUWTE", "hf_user": "Bio-JS", "display_name": "A7 메타-F x 옥세탄/CH2F/설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 56.906, "axes": {"activity": 20.4, "binding": 14.66, "selectivity": 10.73, "admet": 3.21, "novelty": 5.04, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.824, "fraction": 0.68}, "binding": {"pIC50": 7.46, "LE": 0.269, "potency_term": 0.818, "efficiency_cap": 0.896}, "selectivity": {"fold": 20.4, "selectivity_term": 0.655, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.353, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.692, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.823706707760399, "aff_pf": -1.455190658569336, "aff_hs": -0.14459831515947977, "repeats_pf": {"runs": 3, "values": [-1.4592, -1.4437, -1.4626], "mean": -1.4552, "spread": 0.0189}, "repeats_hs": {"runs": 3, "values": [-0.1991, -0.2248, -0.0098], "mean": -0.1446, "spread": 0.215}, "at": 1787908985}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897060, "scored_at": 1787908985, "alerts": [], "rank": 1207}, {"candidate_id": "ODC-725534", "res_at": 1787605425, "skeleton": "FSSDYOWWGJGWKD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 56.896, "axes": {"activity": 19.37, "binding": 14.74, "selectivity": 11.97, "admet": 2.93, "novelty": 4.88, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.762, "fraction": 0.646}, "binding": {"pIC50": 7.37, "LE": 0.28, "potency_term": 0.789, "efficiency_cap": 0.934}, "selectivity": {"fold": 32.9, "selectivity_term": 0.759, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.32, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.407, "herg": 0.05, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.762271059902262, "aff_pf": -1.3660729328791301, "aff_hs": 0.15113473931948343, "repeats_pf": {"runs": 3, "values": [-1.3893, -1.3095, -1.3995], "mean": -1.3661, "spread": 0.09}, "repeats_hs": {"runs": 3, "values": [0.0479, 0.0829, 0.3226], "mean": 0.1511, "spread": 0.2748}, "at": 1787605425}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605220, "scored_at": 1787605425, "alerts": [], "rank": 1208}, {"candidate_id": "ODC-879436", "res_at": 1787627437, "skeleton": "QOYMSUADLMIZTQ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)O··········(C)n1", "total": 56.896, "axes": {"activity": 27.6, "binding": 12.8, "selectivity": 0.0, "admet": 7.96, "novelty": 7.17, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 6.256, "fraction": 0.92}, "binding": {"pIC50": 6.92, "LE": 0.316, "potency_term": 0.64, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.64}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.812, "cyp2c9-veith": 0.936, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.786, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.221, "novelty": 0.779}, "synthesis": {"sa_score": 4.97}}, "run": {"gpu": "3", "pAct_q10": 6.256267369187475, "aff_pf": -0.9207155505816141, "aff_hs": -1.2374505201975505, "repeats_pf": {"runs": 3, "values": [-0.8613, -0.9095, -0.9913], "mean": -0.9207, "spread": 0.13}, "repeats_hs": {"runs": 3, "values": [-1.2023, -1.2535, -1.2565], "mean": -1.2375, "spread": 0.0542}, "at": 1787627437}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621856, "scored_at": 1787627437, "alerts": [], "rank": 1209}, {"candidate_id": "ODC-130E46", "res_at": 1786860531, "skeleton": "ZDTLNQZNNBPCJR", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G2-Tetralin", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.889, "axes": {"activity": 16.32, "binding": 18.01, "selectivity": 8.98, "admet": 5.32, "novelty": 4.0, "synthesis": 4.27}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 7.7, "LE": 0.459, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.886, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.356, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.578943913625839, "aff_pf": -1.7016267379124959, "aff_hs": -0.7049676179885864, "repeats_pf": {"runs": 3, "values": [-1.7091, -1.6848, -1.711], "mean": -1.7016, "spread": 0.0263}, "repeats_hs": {"runs": 3, "values": [-0.7044, -0.6013, -0.8092], "mean": -0.705, "spread": 0.2079}, "at": 1786860531}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854114, "scored_at": 1786860531, "alerts": [], "rank": 1210}, {"candidate_id": "ODC-A03809", "res_at": 1786887168, "skeleton": "AROKEASIKOFJCW", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 56.887, "axes": {"activity": 22.07, "binding": 14.33, "selectivity": 8.01, "admet": 4.78, "novelty": 4.58, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.924, "fraction": 0.736}, "binding": {"pIC50": 7.15, "LE": 0.426, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.559, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.377, "herg": 0.72, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.924237912809027, "aff_pf": -1.1498979727427165, "aff_hs": -0.03281955669323603, "repeats_pf": {"runs": 3, "values": [-1.2588, -1.1154, -1.0754], "mean": -1.1499, "spread": 0.1834}, "repeats_hs": {"runs": 3, "values": [-0.1142, 0.1697, -0.1539], "mean": -0.0328, "spread": 0.3237}, "at": 1786887168}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879601, "scored_at": 1786887168, "alerts": [], "rank": 1211}, {"candidate_id": "ODC-6BC261", "res_at": 1787081495, "skeleton": "LKTLBJJJONVGMA", "hf_user": "1Dmeds", "display_name": "ODC26-MB-10", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Br", "total": 56.879, "axes": {"activity": 23.1, "binding": 13.77, "selectivity": 6.59, "admet": 5.53, "novelty": 4.75, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.986, "fraction": 0.77}, "binding": {"pIC50": 7.06, "LE": 0.403, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.817, "ld50-zhu": 0.472, "herg": 0.451, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 5.985739546006344, "aff_pf": -1.0649005969365437, "aff_hs": -0.10782827436923981, "repeats_pf": {"runs": 3, "values": [-1.0396, -1.0743, -1.0808], "mean": -1.0649, "spread": 0.0412}, "repeats_hs": {"runs": 3, "values": [-0.2381, 0.0989, -0.1842], "mean": -0.1078, "spread": 0.337}, "at": 1787081495}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069643, "scored_at": 1787081495, "alerts": [], "rank": 1212}, {"candidate_id": "ODC-B0DB1F", "res_at": 1789622877, "skeleton": "GRBWSYTXRLCROL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.872, "axes": {"activity": 26.35, "binding": 12.16, "selectivity": 5.04, "admet": 5.24, "novelty": 4.39, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.181, "fraction": 0.878}, "binding": {"pIC50": 6.82, "LE": 0.36, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.126, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 6.180721759412961, "aff_pf": -0.8246840238571167, "aff_hs": 0.003628601630528768, "repeats_pf": {"runs": 3, "values": [-0.8184, -0.826, -0.8296], "mean": -0.8247, "spread": 0.0112}, "repeats_hs": {"runs": 3, "values": [0.0507, -0.0325, -0.0074], "mean": 0.0036, "spread": 0.0832}, "at": 1789622877}, "tier": 1, "alerts": [], "total_sd": 0.116, "total_ci95": [56.664, 57.099], "relegate_reason": [], "submitted_at": 1789619193, "scored_at": 1789622877, "rank": 1213}, {"candidate_id": "ODC-10764B", "res_at": 1786843221, "skeleton": "IETABUDXUQELEO", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.871, "axes": {"activity": 13.52, "binding": 16.13, "selectivity": 14.62, "admet": 6.0, "novelty": 2.96, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.451}, "binding": {"pIC50": 7.42, "LE": 0.462, "potency_term": 0.807, "efficiency_cap": 1.0}, "selectivity": {"fold": 65.0, "selectivity_term": 0.907, "target_engagement": 0.807}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.518, "ld50-zhu": 0.389, "herg": 0.887, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.4113629264539425, "aff_pf": -1.4195125897725422, "aff_hs": 0.3935447037220001, "repeats_pf": {"runs": 3, "values": [-1.373, -1.4466, -1.439], "mean": -1.4195, "spread": 0.0736}, "repeats_hs": {"runs": 3, "values": [0.4561, 0.3758, 0.3488], "mean": 0.3935, "spread": 0.1073}, "at": 1786843221}, "tier": 1, "relegate_reason": [], "submitted_at": 1786811232, "scored_at": 1786843221, "alerts": [], "rank": 1214}, {"candidate_id": "ODC-18C7DC", "res_at": 1789525381, "skeleton": "LYTCIITWVBQMCJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 56.865, "axes": {"activity": 10.13, "binding": 17.51, "selectivity": 14.66, "admet": 5.35, "novelty": 5.62, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 7.63, "LE": 0.418, "potency_term": 0.876, "efficiency_cap": 1.0}, "selectivity": {"fold": 47.2, "selectivity_term": 0.837, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.379, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.513, "ld50-zhu": 0.674, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.207953190326976, "aff_pf": -1.6269385814666748, "aff_hs": 0.04701612889766693, "repeats_pf": {"runs": 3, "values": [-1.6302, -1.6065, -1.6442], "mean": -1.6269, "spread": 0.0377}, "repeats_hs": {"runs": 3, "values": [0.0622, 0.0674, 0.0115], "mean": 0.047, "spread": 0.0559}, "at": 1789525381}, "tier": 1, "alerts": [], "total_sd": 0.283, "total_ci95": [56.371, 57.458], "relegate_reason": [], "submitted_at": 1789524426, "scored_at": 1789525381, "rank": 1215}, {"candidate_id": "ODC-35B87F", "res_at": 1787456182, "skeleton": "WYYAOGLLTHHONJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.855, "axes": {"activity": 13.15, "binding": 17.22, "selectivity": 13.23, "admet": 5.25, "novelty": 4.65, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.438}, "binding": {"pIC50": 7.58, "LE": 0.4, "potency_term": 0.861, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.4, "selectivity_term": 0.768, "target_engagement": 0.861}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.641, "herg": 0.251, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.389112720005101, "aff_pf": -1.5825738906860352, "aff_hs": -0.045904318491617836, "repeats_pf": {"runs": 3, "values": [-1.5925, -1.502, -1.6532], "mean": -1.5826, "spread": 0.1511}, "repeats_hs": {"runs": 3, "values": [0.035, -0.0825, -0.0902], "mean": -0.0459, "spread": 0.1252}, "at": 1787456182}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453405, "scored_at": 1787456182, "alerts": [], "rank": 1216}, {"candidate_id": "ODC-D019C0", "res_at": 1789263667, "skeleton": "OFHXABJTCBZIHB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 56.853, "axes": {"activity": 15.85, "binding": 15.14, "selectivity": 13.28, "admet": 5.01, "novelty": 4.43, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.551, "fraction": 0.528}, "binding": {"pIC50": 7.27, "LE": 0.383, "potency_term": 0.757, "efficiency_cap": 1.0}, "selectivity": {"fold": 56.8, "selectivity_term": 0.877, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.502, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.5510884615202585, "aff_pf": -1.2707056601842244, "aff_hs": 0.4834757149219513, "repeats_pf": {"runs": 3, "values": [-1.2192, -1.2348, -1.3582], "mean": -1.2707, "spread": 0.1391}, "repeats_hs": {"runs": 3, "values": [0.5106, 0.5045, 0.4353], "mean": 0.4835, "spread": 0.0754}, "at": 1789263667}, "tier": 1, "alerts": [], "total_sd": 0.891, "total_ci95": [55.502, 59.12], "relegate_reason": [], "submitted_at": 1789262720, "scored_at": 1789263667, "rank": 1217}, {"candidate_id": "ODC-A43BE5", "res_at": 1789973711, "skeleton": "YEOPYFDQSQVPMG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.834, "axes": {"activity": 14.02, "binding": 17.78, "selectivity": 11.64, "admet": 5.65, "novelty": 3.95, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 7.67, "LE": 0.5, "potency_term": 0.889, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.4, "selectivity_term": 0.655, "target_engagement": 0.889}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.561, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.925, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.504, "ld50-zhu": 0.436, "herg": 0.324, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.441128323510357, "aff_pf": -1.6673412322998047, "aff_hs": -0.3576239347457886, "repeats_pf": {"runs": 3, "values": [-1.7406, -1.6417, -1.6197], "mean": -1.6673, "spread": 0.1209}, "repeats_hs": {"runs": 3, "values": [-0.6356, -0.193, -0.2443], "mean": -0.3576, "spread": 0.4425}, "at": 1789973711}, "tier": 1, "alerts": [], "total_sd": 1.289, "total_ci95": [54.542, 59.176], "relegate_reason": [], "submitted_at": 1789949327, "scored_at": 1789973711, "rank": 1218}, {"candidate_id": "ODC-789B05", "res_at": 1786840411, "skeleton": "LNQCSAAFDAUEHG", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.815, "axes": {"activity": 14.65, "binding": 15.34, "selectivity": 11.29, "admet": 7.06, "novelty": 4.9, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.488}, "binding": {"pIC50": 7.3, "LE": 0.455, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.6, "selectivity_term": 0.736, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.901, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.454, "herg": 0.83, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "1", "pAct_q10": 5.478727240707297, "aff_pf": -1.30142080783844, "aff_hs": 0.17009249329566956, "repeats_pf": {"runs": 3, "values": [-1.3262, -1.2922, -1.2859], "mean": -1.3014, "spread": 0.0402}, "repeats_hs": {"runs": 3, "values": [0.2965, 0.0682, 0.1457], "mean": 0.1701, "spread": 0.2283}, "at": 1786840411}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805754, "scored_at": 1786840411, "alerts": [], "rank": 1219}, {"candidate_id": "ODC-0AF2C0", "res_at": 1787284407, "skeleton": "OHFNCSZBHPNNDY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 56.808, "axes": {"activity": 28.74, "binding": 9.28, "selectivity": 1.41, "admet": 6.69, "novelty": 7.04, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.324, "fraction": 0.958}, "binding": {"pIC50": 6.58, "LE": 0.265, "potency_term": 0.525, "efficiency_cap": 0.883}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.719, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.766, "ld50-zhu": 0.563, "herg": 0.266, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.324218778463744, "aff_pf": -0.5764163533846537, "aff_hs": -0.30871524413426715, "repeats_pf": {"runs": 3, "values": [-0.6261, -0.5156, -0.5876], "mean": -0.5764, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [-0.2238, -0.1374, -0.565], "mean": -0.3087, "spread": 0.4276}, "at": 1787284407}, "tier": 1, "relegate_reason": [], "submitted_at": 1787281004, "scored_at": 1787284407, "alerts": [], "rank": 1220}, {"candidate_id": "ODC-AA05D1", "res_at": 1788486526, "skeleton": "GWYBQTZMRQWXCQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-16", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 56.801, "axes": {"activity": 18.74, "binding": 15.69, "selectivity": 11.09, "admet": 2.7, "novelty": 5.36, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.724, "fraction": 0.625}, "binding": {"pIC50": 7.48, "LE": 0.285, "potency_term": 0.827, "efficiency_cap": 0.949}, "selectivity": {"fold": 22.0, "selectivity_term": 0.671, "target_engagement": 0.827}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.352, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.15}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.7241960333661, "aff_pf": -1.4797133604685466, "aff_hs": -0.13771275306741396, "repeats_pf": {"runs": 3, "values": [-1.5637, -1.4215, -1.454], "mean": -1.4797, "spread": 0.1422}, "repeats_hs": {"runs": 3, "values": [-0.1135, -0.2405, -0.0591], "mean": -0.1377, "spread": 0.1814}, "at": 1788486526}, "tier": 1, "alerts": [], "total_sd": 1.077, "total_ci95": [55.032, 59.277], "relegate_reason": [], "submitted_at": 1788419643, "scored_at": 1788486526, "rank": 1221}, {"candidate_id": "ODC-EFE99D", "res_at": 1789925089, "skeleton": "WHKWRQJUQKKEGQ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········C(F)F", "total": 56.793, "axes": {"activity": 22.11, "binding": 14.82, "selectivity": 6.88, "admet": 5.31, "novelty": 4.79, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.927, "fraction": 0.737}, "binding": {"pIC50": 7.22, "LE": 0.381, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.601, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.435, "herg": 0.468, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.926822678412869, "aff_pf": -1.2233773469924927, "aff_hs": -0.29519431789716083, "repeats_pf": {"runs": 3, "values": [-1.2342, -1.2371, -1.1988], "mean": -1.2234, "spread": 0.0383}, "repeats_hs": {"runs": 3, "values": [-0.3987, -0.181, -0.3058], "mean": -0.2952, "spread": 0.2177}, "at": 1789925089}, "tier": 1, "alerts": [], "total_sd": 0.469, "total_ci95": [55.97, 57.651], "relegate_reason": [], "submitted_at": 1789758175, "scored_at": 1789925089, "rank": 1222}, {"candidate_id": "ODC-CCCCFE", "res_at": 1789531514, "skeleton": "VXQOGKXNJDRBRN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 56.792, "axes": {"activity": 10.88, "binding": 17.05, "selectivity": 14.57, "admet": 6.09, "novelty": 4.48, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 7.56, "LE": 0.414, "potency_term": 0.852, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.2, "selectivity_term": 0.855, "target_engagement": 0.852}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.985, "cyp2c9-veith": 0.463, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.497, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.252551661746014, "aff_pf": -1.5572882493336995, "aff_hs": 0.1521168351173401, "repeats_pf": {"runs": 3, "values": [-1.5456, -1.589, -1.5372], "mean": -1.5573, "spread": 0.0519}, "repeats_hs": {"runs": 3, "values": [0.1008, 0.2499, 0.1056], "mean": 0.1521, "spread": 0.1491}, "at": 1789531514}, "tier": 1, "alerts": [], "total_sd": 0.494, "total_ci95": [55.914, 57.676], "relegate_reason": [], "submitted_at": 1789524851, "scored_at": 1789531514, "rank": 1223}, {"candidate_id": "ODC-D5FD39", "res_at": 1787454620, "skeleton": "NWDMXNRFHHXWDA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.79, "axes": {"activity": 14.52, "binding": 15.75, "selectivity": 13.51, "admet": 5.35, "novelty": 4.52, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 7.36, "LE": 0.439, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.0, "selectivity_term": 0.858, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.953, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.585, "herg": 0.379, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.471352511660597, "aff_pf": -1.3625959157943726, "aff_hs": 0.3534492502609889, "repeats_pf": {"runs": 3, "values": [-1.3488, -1.3744, -1.3646], "mean": -1.3626, "spread": 0.0256}, "repeats_hs": {"runs": 3, "values": [0.2403, 0.5889, 0.2311], "mean": 0.3534, "spread": 0.3578}, "at": 1787454620}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453345, "scored_at": 1787454620, "alerts": [], "rank": 1224}, {"candidate_id": "ODC-5F378B", "res_at": 1788425417, "skeleton": "UXMIDWVAPFVXIL", "hf_user": "Bio-JS", "display_name": "0903-S1-03 P0/cPr/spiroSO", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 56.78, "axes": {"activity": 18.55, "binding": 14.65, "selectivity": 13.25, "admet": 3.01, "novelty": 4.88, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.713, "fraction": 0.618}, "binding": {"pIC50": 7.31, "LE": 0.286, "potency_term": 0.769, "efficiency_cap": 0.953}, "selectivity": {"fold": 53.0, "selectivity_term": 0.862, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.36, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.651, "herg": 0.05, "dili": 0.111}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "0", "pAct_q10": 5.712813755500898, "aff_pf": -1.3055386940638225, "aff_hs": 0.4183785518010457, "repeats_pf": {"runs": 3, "values": [-1.1731, -1.3382, -1.4053], "mean": -1.3055, "spread": 0.2322}, "repeats_hs": {"runs": 3, "values": [0.4712, 0.3792, 0.4047], "mean": 0.4184, "spread": 0.092}, "at": 1788425417}, "tier": 1, "alerts": [], "total_sd": 1.69, "total_ci95": [53.197, 59.59], "relegate_reason": [], "submitted_at": 1788362676, "scored_at": 1788425417, "rank": 1225}, {"candidate_id": "ODC-309FD7", "res_at": 1789620424, "skeleton": "MXTMJDHNOHJFMS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.769, "axes": {"activity": 21.99, "binding": 16.33, "selectivity": 5.68, "admet": 4.81, "novelty": 4.21, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.29, "ld50-zhu": 0.617, "herg": 0.097, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.919260223430868, "aff_pf": -1.4490544001261394, "aff_hs": -0.7538795073827108, "repeats_pf": {"runs": 3, "values": [-1.4141, -1.5313, -1.4018], "mean": -1.4491, "spread": 0.1295}, "repeats_hs": {"runs": 3, "values": [-0.5574, -0.6827, -1.0216], "mean": -0.7539, "spread": 0.4642}, "at": 1789620424}, "tier": 1, "alerts": [], "total_sd": 1.238, "total_ci95": [54.569, 59.584], "relegate_reason": [], "submitted_at": 1789618819, "scored_at": 1789620424, "rank": 1226}, {"candidate_id": "ODC-4819F7", "res_at": 1789524716, "skeleton": "YGSMOSSWVRVGNK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.758, "axes": {"activity": 9.76, "binding": 18.08, "selectivity": 15.65, "admet": 4.7, "novelty": 4.74, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.325}, "binding": {"pIC50": 7.71, "LE": 0.423, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.8, "selectivity_term": 0.865, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.597, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.185685463094897, "aff_pf": -1.7119091351826985, "aff_hs": 0.01901303728421529, "repeats_pf": {"runs": 3, "values": [-1.8094, -1.6089, -1.7175], "mean": -1.7119, "spread": 0.2005}, "repeats_hs": {"runs": 3, "values": [0.1674, 0.0661, -0.1764], "mean": 0.019, "spread": 0.3438}, "at": 1789524716}, "tier": 1, "alerts": [], "total_sd": 1.407, "total_ci95": [54.001, 59.285], "relegate_reason": [], "submitted_at": 1789524338, "scored_at": 1789524716, "rank": 1227}, {"candidate_id": "ODC-6E2449", "res_at": 1787047092, "skeleton": "QPVOAIKOYMICSX", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M1", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)cc1F", "total": 56.753, "axes": {"activity": 24.73, "binding": 9.84, "selectivity": 6.23, "admet": 6.77, "novelty": 5.5, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.084, "fraction": 0.824}, "binding": {"pIC50": 6.48, "LE": 0.386, "potency_term": 0.492, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.5, "selectivity_term": 0.633, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.581, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.321, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 6.084059628766236, "aff_pf": -0.4761555989583333, "aff_hs": 0.7904599706331888, "repeats_pf": {"runs": 3, "values": [-0.318, -0.5985, -0.5119], "mean": -0.4762, "spread": 0.2805}, "repeats_hs": {"runs": 3, "values": [0.6504, 0.6912, 1.0298], "mean": 0.7905, "spread": 0.3794}, "at": 1787047092}, "tier": 1, "relegate_reason": [], "submitted_at": 1787041260, "scored_at": 1787047092, "alerts": [], "rank": 1228}, {"candidate_id": "ODC-9BC40F", "res_at": 1786942528, "skeleton": "NATIBVKTIAXIAO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Cl", "total": 56.749, "axes": {"activity": 17.4, "binding": 17.4, "selectivity": 7.68, "admet": 6.37, "novelty": 4.12, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 7.61, "LE": 0.434, "potency_term": 0.87, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.442, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.187, "cyp3a4-substrate-carbonmangels": 0.304, "ld50-zhu": 0.448, "herg": 0.591, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.6438688902610545, "aff_pf": -1.6102395057678223, "aff_hs": -0.7270053823788961, "repeats_pf": {"runs": 3, "values": [-1.5696, -1.7091, -1.5521], "mean": -1.6102, "spread": 0.157}, "repeats_hs": {"runs": 3, "values": [-0.6757, -0.73, -0.7752], "mean": -0.727, "spread": 0.0995}, "at": 1786942528}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933523, "scored_at": 1786942528, "alerts": [], "rank": 1229}, {"candidate_id": "ODC-749CCD", "res_at": 1789120155, "skeleton": "XOEZXHLYOVDLLZ", "hf_user": "Bio-JS", "display_name": "0911-S1-5pos_C#C", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 56.737, "axes": {"activity": 14.88, "binding": 18.63, "selectivity": 8.33, "admet": 6.58, "novelty": 4.58, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.493, "fraction": 0.496}, "binding": {"pIC50": 7.79, "LE": 0.445, "potency_term": 0.932, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.932}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.498, "herg": 0.625, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.492631060363506, "aff_pf": -1.794572154680888, "aff_hs": -0.9002498785654703, "repeats_pf": {"runs": 3, "values": [-1.8314, -1.7838, -1.7685], "mean": -1.7946, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [-0.8914, -0.8715, -0.9379], "mean": -0.9002, "spread": 0.0663}, "at": 1789120155}, "tier": 1, "alerts": [], "total_sd": 0.414, "total_ci95": [56.044, 57.636], "relegate_reason": [], "submitted_at": 1789117040, "scored_at": 1789120155, "rank": 1230}, {"candidate_id": "ODC-03534B", "res_at": 1788167605, "skeleton": "MITXRORFYPQGSP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R08", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 56.718, "axes": {"activity": 19.34, "binding": 13.5, "selectivity": 13.77, "admet": 3.39, "novelty": 4.02, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.761, "fraction": 0.645}, "binding": {"pIC50": 7.31, "LE": 0.263, "potency_term": 0.769, "efficiency_cap": 0.878}, "selectivity": {"fold": 61.7, "selectivity_term": 0.895, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 0.965, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.324, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.316, "dili": 0.132}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.760635949402395, "aff_pf": -1.3063624302546184, "aff_hs": 0.4842577278614044, "repeats_pf": {"runs": 3, "values": [-1.3174, -1.2734, -1.3283], "mean": -1.3064, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [0.5063, 0.493, 0.4535], "mean": 0.4843, "spread": 0.0528}, "at": 1788167605}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [55.862, 57.352], "relegate_reason": [], "submitted_at": 1788165741, "scored_at": 1788167605, "rank": 1231}, {"candidate_id": "ODC-758951", "res_at": 1787456373, "skeleton": "NQAANILQIMBDAC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 56.715, "axes": {"activity": 20.19, "binding": 16.18, "selectivity": 8.21, "admet": 4.53, "novelty": 4.61, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.811, "fraction": 0.673}, "binding": {"pIC50": 7.43, "LE": 0.363, "potency_term": 0.809, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.809}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.653, "herg": 0.201, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.811183360932709, "aff_pf": -1.427482048670451, "aff_hs": -0.41328632831573486, "repeats_pf": {"runs": 3, "values": [-1.451, -1.3737, -1.4577], "mean": -1.4275, "spread": 0.084}, "repeats_hs": {"runs": 3, "values": [-0.4582, -0.3674, -0.4142], "mean": -0.4133, "spread": 0.0907}, "at": 1787456373}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453411, "scored_at": 1787456373, "alerts": [], "rank": 1232}, {"candidate_id": "ODC-2620ED", "res_at": 1787455800, "skeleton": "PPYPVZKFDDEMCG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.694, "axes": {"activity": 12.89, "binding": 15.9, "selectivity": 15.02, "admet": 5.85, "novelty": 3.77, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.373, "fraction": 0.43}, "binding": {"pIC50": 7.38, "LE": 0.389, "potency_term": 0.795, "efficiency_cap": 1.0}, "selectivity": {"fold": 77.5, "selectivity_term": 0.945, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.704, "herg": 0.328, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.373398863360864, "aff_pf": -1.384612758954366, "aff_hs": 0.5046729544798533, "repeats_pf": {"runs": 3, "values": [-1.3766, -1.3866, -1.3907], "mean": -1.3846, "spread": 0.0141}, "repeats_hs": {"runs": 3, "values": [0.4637, 0.5921, 0.4582], "mean": 0.5047, "spread": 0.1339}, "at": 1787455800}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453391, "scored_at": 1787455800, "alerts": [], "rank": 1233}, {"candidate_id": "ODC-70DD2C", "res_at": 1789437867, "skeleton": "VXDOMDSEXYBOKY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.694, "axes": {"activity": 12.84, "binding": 17.75, "selectivity": 12.34, "admet": 6.2, "novelty": 3.45, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 7.66, "LE": 0.456, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.6, "selectivity_term": 0.695, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.370464956199669, "aff_pf": -1.662069320678711, "aff_hs": -0.27114612857500714, "repeats_pf": {"runs": 3, "values": [-1.6408, -1.6464, -1.699], "mean": -1.6621, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [-0.2855, -0.1908, -0.3371], "mean": -0.2711, "spread": 0.1464}, "at": 1789437867}, "tier": 1, "alerts": [], "total_sd": 0.493, "total_ci95": [55.926, 57.905], "relegate_reason": [], "submitted_at": 1789435492, "scored_at": 1789437867, "rank": 1234}, {"candidate_id": "ODC-44BF39", "res_at": 1787718875, "skeleton": "UNERMTNWGQVZKD", "hf_user": "1Dmeds", "display_name": "ODC26-R2-09-SCiPr", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 56.69, "axes": {"activity": 21.98, "binding": 17.63, "selectivity": 3.3, "admet": 4.08, "novelty": 6.02, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 7.65, "LE": 0.299, "potency_term": 0.883, "efficiency_cap": 0.998}, "selectivity": {"fold": 2.4, "selectivity_term": 0.187, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.379, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.691, "herg": 0.147, "dili": 0.302}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.918880695017235, "aff_pf": -1.6496719121932983, "aff_hs": -1.2763160069783528, "repeats_pf": {"runs": 3, "values": [-1.725, -1.5826, -1.6415], "mean": -1.6497, "spread": 0.1424}, "repeats_hs": {"runs": 3, "values": [-1.3786, -1.2541, -1.1963], "mean": -1.2763, "spread": 0.1823}, "at": 1787718875}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717391, "scored_at": 1787718875, "alerts": [], "rank": 1235}, {"candidate_id": "ODC-A022FA", "res_at": 1788588243, "skeleton": "IJSAGHRXUMPSGH", "hf_user": "Bio-JS", "display_name": "0905-S1-10 SCHF2/F/Br/H", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 56.687, "axes": {"activity": 24.49, "binding": 11.87, "selectivity": 5.53, "admet": 6.4, "novelty": 4.73, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.069, "fraction": 0.816}, "binding": {"pIC50": 6.78, "LE": 0.422, "potency_term": 0.594, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.465, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.33, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.439, "herg": 0.882, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 6.069419816818956, "aff_pf": -0.7811468044916788, "aff_hs": 0.14954602221647897, "repeats_pf": {"runs": 3, "values": [-0.6334, -0.917, -0.793], "mean": -0.7811, "spread": 0.2836}, "repeats_hs": {"runs": 3, "values": [0.1363, 0.1645, 0.1478], "mean": 0.1495, "spread": 0.0282}, "at": 1788588243}, "tier": 1, "alerts": [], "total_sd": 1.01, "total_ci95": [55.179, 58.847], "relegate_reason": [], "submitted_at": 1788560062, "scored_at": 1788588243, "rank": 1236}, {"candidate_id": "ODC-93CDCD", "res_at": 1787406384, "skeleton": "ZBHCITCGKLOJCY", "hf_user": "Ku-ku", "display_name": "M1_5F", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 56.661, "axes": {"activity": 23.0, "binding": 13.18, "selectivity": 7.12, "admet": 5.79, "novelty": 4.24, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.98, "fraction": 0.767}, "binding": {"pIC50": 6.98, "LE": 0.434, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.339, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.423, "herg": 0.775, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.980266565538993, "aff_pf": -0.9772262573242188, "aff_hs": 0.10353043427069981, "repeats_pf": {"runs": 3, "values": [-0.8123, -1.1399, -0.9796], "mean": -0.9772, "spread": 0.3276}, "repeats_hs": {"runs": 3, "values": [-0.0024, 0.0777, 0.2353], "mean": 0.1035, "spread": 0.2377}, "at": 1787406384}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406180, "scored_at": 1787406384, "alerts": [], "rank": 1237}, {"candidate_id": "ODC-90B4F2", "res_at": 1787043224, "skeleton": "FIPIGMRVMUIKNL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 56.632, "axes": {"activity": 14.78, "binding": 16.01, "selectivity": 12.82, "admet": 5.29, "novelty": 4.61, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 7.4, "LE": 0.483, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.9, "selectivity_term": 0.8, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.444, "herg": 0.227, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.486636896008794, "aff_pf": -1.4021783669789631, "aff_hs": 0.19881722082694372, "repeats_pf": {"runs": 3, "values": [-1.4242, -1.3808, -1.4015], "mean": -1.4022, "spread": 0.0434}, "repeats_hs": {"runs": 3, "values": [0.2953, 0.27, 0.0311], "mean": 0.1988, "spread": 0.2643}, "at": 1787043224}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038335, "scored_at": 1787043224, "alerts": [], "rank": 1238}, {"candidate_id": "ODC-B55426", "res_at": 1787622450, "skeleton": "ZFYLPEAUYCPVKL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 56.614, "axes": {"activity": 12.28, "binding": 18.29, "selectivity": 13.43, "admet": 5.75, "novelty": 3.11, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.337, "fraction": 0.409}, "binding": {"pIC50": 7.74, "LE": 0.393, "potency_term": 0.914, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.4, "selectivity_term": 0.734, "target_engagement": 0.914}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.104, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.999, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.319, "ld50-zhu": 0.492, "herg": 0.251, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.336594994705489, "aff_pf": -1.7434013684590657, "aff_hs": -0.2752551833788554, "repeats_pf": {"runs": 3, "values": [-1.6518, -1.8375, -1.7409], "mean": -1.7434, "spread": 0.1857}, "repeats_hs": {"runs": 3, "values": [-0.2751, -0.2865, -0.2642], "mean": -0.2753, "spread": 0.0223}, "at": 1787622450}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620901, "scored_at": 1787622450, "alerts": [], "rank": 1239}, {"candidate_id": "ODC-0E5274", "res_at": 1788152534, "skeleton": "YPVVCTQTXCFAJW", "hf_user": "Bio-JS", "display_name": "R2 C6-Cl 복제 (아닐린 3-Cl 섀시)", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 56.611, "axes": {"activity": 18.33, "binding": 13.64, "selectivity": 13.64, "admet": 3.71, "novelty": 4.37, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.7, "fraction": 0.611}, "binding": {"pIC50": 7.05, "LE": 0.402, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 117.0, "selectivity_term": 1.0, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.356, "ld50-zhu": 0.344, "herg": 0.591, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.699658576207055, "aff_pf": -1.0454954306284587, "aff_hs": 1.0227692524592082, "repeats_pf": {"runs": 3, "values": [-1.0211, -1.073, -1.0424], "mean": -1.0455, "spread": 0.0519}, "repeats_hs": {"runs": 3, "values": [1.2755, 0.9652, 0.8276], "mean": 1.0228, "spread": 0.448}, "at": 1788152534}, "tier": 1, "alerts": [], "total_sd": 0.314, "total_ci95": [55.801, 56.935], "relegate_reason": [], "submitted_at": 1788139423, "scored_at": 1788152534, "rank": 1240}, {"candidate_id": "ODC-BA0F72", "res_at": 1789959673, "skeleton": "RUSXEQZDWUCZEO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[S@@](··········)n2n1", "total": 56.607, "axes": {"activity": 12.03, "binding": 17.69, "selectivity": 11.52, "admet": 6.86, "novelty": 5.72, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 7.65, "LE": 0.437, "potency_term": 0.884, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.884}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.507, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.539, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.321851685655085, "aff_pf": -1.653387427330017, "aff_hs": -0.35118038455645245, "repeats_pf": {"runs": 3, "values": [-1.6222, -1.7482, -1.5897], "mean": -1.6534, "spread": 0.1585}, "repeats_hs": {"runs": 3, "values": [-0.4208, -0.2978, -0.335], "mean": -0.3512, "spread": 0.123}, "at": 1789959673}, "tier": 1, "alerts": [], "total_sd": 1.056, "total_ci95": [54.906, 58.807], "relegate_reason": [], "submitted_at": 1789876162, "scored_at": 1789959673, "rank": 1241}, {"candidate_id": "ODC-C70547", "res_at": 1789110130, "skeleton": "XJVYTXMECFXFIS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.606, "axes": {"activity": 17.77, "binding": 17.9, "selectivity": 8.64, "admet": 5.29, "novelty": 2.93, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 7.68, "LE": 0.439, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.422, "herg": 0.679, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.666197296962461, "aff_pf": -1.6847786506017048, "aff_hs": -0.7193406224250793, "repeats_pf": {"runs": 3, "values": [-1.6471, -1.5811, -1.8261], "mean": -1.6848, "spread": 0.245}, "repeats_hs": {"runs": 3, "values": [-0.699, -0.8266, -0.6324], "mean": -0.7193, "spread": 0.1942}, "at": 1789110130}, "tier": 1, "alerts": [], "total_sd": 1.399, "total_ci95": [54.523, 59.581], "relegate_reason": [], "submitted_at": 1789094229, "scored_at": 1789110130, "rank": 1242}, {"candidate_id": "ODC-EB6FF6", "res_at": 1788476763, "skeleton": "RHIBPNZOFUSYLT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R160-09", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········l)CC1", "total": 56.599, "axes": {"activity": 17.7, "binding": 16.85, "selectivity": 8.84, "admet": 4.13, "novelty": 5.72, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.662, "fraction": 0.59}, "binding": {"pIC50": 7.53, "LE": 0.313, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.437, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.281}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.6622995968411125, "aff_pf": -1.5276122490564983, "aff_hs": -0.4787163535753886, "repeats_pf": {"runs": 3, "values": [-1.6122, -1.5731, -1.3975], "mean": -1.5276, "spread": 0.2147}, "repeats_hs": {"runs": 3, "values": [-0.2691, -0.5227, -0.6443], "mean": -0.4787, "spread": 0.3752}, "at": 1788476763}, "tier": 1, "alerts": [], "total_sd": 1.473, "total_ci95": [53.853, 59.403], "relegate_reason": [], "submitted_at": 1788414308, "scored_at": 1788476763, "rank": 1243}, {"candidate_id": "ODC-72B18D", "res_at": 1789622067, "skeleton": "WOWYSZRVXWLPOS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.599, "axes": {"activity": 19.69, "binding": 17.28, "selectivity": 6.92, "admet": 4.83, "novelty": 4.1, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.656}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.864, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.864}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.379, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.781553866632044, "aff_pf": -1.5925411780675252, "aff_hs": -0.7921404242515564, "repeats_pf": {"runs": 3, "values": [-1.7557, -1.5204, -1.5016], "mean": -1.5925, "spread": 0.254}, "repeats_hs": {"runs": 3, "values": [-1.0512, -1.0344, -0.2908], "mean": -0.7921, "spread": 0.7604}, "at": 1789622067}, "tier": 1, "alerts": [], "total_sd": 2.047, "total_ci95": [52.614, 60.774], "relegate_reason": [], "submitted_at": 1789619053, "scored_at": 1789622067, "rank": 1244}, {"candidate_id": "ODC-6E2A26", "res_at": 1789996442, "skeleton": "OKUGIXLMDHRBPZ", "hf_user": "Bio-JS", "display_name": "0921-S1-15", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 56.596, "axes": {"activity": 12.26, "binding": 16.42, "selectivity": 14.23, "admet": 6.62, "novelty": 3.46, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.409}, "binding": {"pIC50": 7.46, "LE": 0.445, "potency_term": 0.821, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.0, "selectivity_term": 0.866, "target_engagement": 0.821}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.532, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.581, "cyp3a4-substrate-carbonmangels": 0.079, "ld50-zhu": 0.496, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.335363497286186, "aff_pf": -1.4634321133295696, "aff_hs": 0.269339253505071, "repeats_pf": {"runs": 3, "values": [-1.4206, -1.506, -1.4636], "mean": -1.4634, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [0.2265, 0.3143, 0.2672], "mean": 0.2693, "spread": 0.0878}, "at": 1789996442}, "tier": 1, "alerts": [], "total_sd": 0.514, "total_ci95": [55.614, 57.717], "relegate_reason": [], "submitted_at": 1789990131, "scored_at": 1789996442, "rank": 1245}, {"candidate_id": "ODC-8FCCCC", "res_at": 1787738211, "skeleton": "PCCQFHNUBLFQKZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········cc1Cl", "total": 56.57, "axes": {"activity": 20.57, "binding": 15.72, "selectivity": 7.78, "admet": 4.9, "novelty": 4.42, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.834, "fraction": 0.686}, "binding": {"pIC50": 7.36, "LE": 0.403, "potency_term": 0.786, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.495, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.496, "herg": 0.668, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.833902492293352, "aff_pf": -1.3574457963307698, "aff_hs": -0.3674507935841878, "repeats_pf": {"runs": 3, "values": [-1.3869, -1.3084, -1.377], "mean": -1.3574, "spread": 0.0786}, "repeats_hs": {"runs": 3, "values": [-0.2115, -0.5542, -0.3366], "mean": -0.3675, "spread": 0.3427}, "at": 1787738211}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736112, "scored_at": 1787738211, "alerts": [], "rank": 1246}, {"candidate_id": "ODC-5B9131", "res_at": 1788965092, "skeleton": "ASGGTCBJRKEULE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 56.564, "axes": {"activity": 15.39, "binding": 16.26, "selectivity": 12.31, "admet": 5.92, "novelty": 3.07, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.524, "fraction": 0.513}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.813, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.7, "selectivity_term": 0.757, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.993, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.258, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.523653546914438, "aff_pf": -1.4384671052296956, "aff_hs": 0.0757451852162679, "repeats_pf": {"runs": 3, "values": [-1.4126, -1.4564, -1.4464], "mean": -1.4385, "spread": 0.0438}, "repeats_hs": {"runs": 3, "values": [0.0735, 0.1031, 0.0507], "mean": 0.0757, "spread": 0.0524}, "at": 1788965092}, "tier": 1, "alerts": [], "total_sd": 0.291, "total_ci95": [55.98, 57.076], "relegate_reason": [], "submitted_at": 1788963314, "scored_at": 1788965092, "rank": 1247}, {"candidate_id": "ODC-2C7E40", "res_at": 1786888285, "skeleton": "PIUGRQGYOWMYSG", "hf_user": "PhD-Shin", "display_name": "PhD-Shin S1-B", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 56.559, "axes": {"activity": 21.11, "binding": 15.55, "selectivity": 7.52, "admet": 4.43, "novelty": 4.54, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.867, "fraction": 0.704}, "binding": {"pIC50": 7.33, "LE": 0.437, "potency_term": 0.778, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.483, "target_engagement": 0.778}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.084, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.749, "ld50-zhu": 0.383, "herg": 0.658, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.866756131927383, "aff_pf": -1.3329970836639404, "aff_hs": -0.36636315782864887, "repeats_pf": {"runs": 3, "values": [-1.3706, -1.2249, -1.4035], "mean": -1.333, "spread": 0.1786}, "repeats_hs": {"runs": 3, "values": [-0.2899, -0.3931, -0.4161], "mean": -0.3664, "spread": 0.1262}, "at": 1786888285}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879871, "scored_at": 1786888285, "alerts": [], "rank": 1248}, {"candidate_id": "ODC-51AE6F", "res_at": 1788191763, "skeleton": "VJNZSXHCMJVMER", "hf_user": "Ku-ku", "display_name": "KK-M-0831-579", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········3)c1F", "total": 56.545, "axes": {"activity": 29.0, "binding": 10.41, "selectivity": 1.39, "admet": 5.32, "novelty": 6.61, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.34, "fraction": 0.967}, "binding": {"pIC50": 6.56, "LE": 0.321, "potency_term": 0.52, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.133, "target_engagement": 0.52}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.738, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.819, "ld50-zhu": 0.508, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.339700507274279, "aff_pf": -0.5607514878114065, "aff_hs": -0.2945035696029663, "repeats_pf": {"runs": 3, "values": [-0.4857, -0.5782, -0.6183], "mean": -0.5608, "spread": 0.1326}, "repeats_hs": {"runs": 3, "values": [-0.2702, -0.2975, -0.3158], "mean": -0.2945, "spread": 0.0456}, "at": 1788191763}, "tier": 1, "alerts": [], "total_sd": 0.4, "total_ci95": [55.727, 57.29], "relegate_reason": [], "submitted_at": 1788186870, "scored_at": 1788191763, "rank": 1249}, {"candidate_id": "ODC-7167CC", "res_at": 1787208762, "skeleton": "YOPAMCCBYIUYJH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)CC1", "total": 56.535, "axes": {"activity": 30.0, "binding": 7.88, "selectivity": 2.39, "admet": 4.75, "novelty": 7.36, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 6.665, "fraction": 1.0}, "binding": {"pIC50": 6.41, "LE": 0.251, "potency_term": 0.471, "efficiency_cap": 0.837}, "selectivity": {"fold": 3.2, "selectivity_term": 0.254, "target_engagement": 0.471}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 0.776, "pgp-broccatelli": 0.147, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.072, "ld50-zhu": 0.791, "herg": 0.05, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.664703260642494, "aff_pf": -0.41230998436609906, "aff_hs": 0.09569121400515239, "repeats_pf": {"runs": 3, "values": [-0.3499, -0.4555, -0.4315], "mean": -0.4123, "spread": 0.1055}, "repeats_hs": {"runs": 3, "values": [0.2884, 0.043, -0.0444], "mean": 0.0957, "spread": 0.3328}, "at": 1787208762}, "tier": 1, "relegate_reason": [], "submitted_at": 1787205331, "scored_at": 1787208762, "alerts": [], "rank": 1250}, {"candidate_id": "ODC-E60773", "res_at": 1787409730, "skeleton": "QJAGPLFQYPZENJ", "hf_user": "Ku-ku", "display_name": "E1_Olink", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········nc2n1", "total": 56.531, "axes": {"activity": 22.45, "binding": 10.52, "selectivity": 10.48, "admet": 4.98, "novelty": 4.74, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 6.58, "LE": 0.41, "potency_term": 0.526, "efficiency_cap": 1.0}, "selectivity": {"fold": 98.1, "selectivity_term": 0.996, "target_engagement": 0.526}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.151, "ld50-zhu": 0.343, "herg": 0.679, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.947290467999676, "aff_pf": -0.5778837203979492, "aff_hs": 1.413899302482605, "repeats_pf": {"runs": 3, "values": [-0.5977, -0.5195, -0.6165], "mean": -0.5779, "spread": 0.097}, "repeats_hs": {"runs": 3, "values": [1.5015, 1.417, 1.3231], "mean": 1.4139, "spread": 0.1784}, "at": 1787409730}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407685, "scored_at": 1787409730, "alerts": [], "rank": 1251}, {"candidate_id": "ODC-D034E7", "res_at": 1789437670, "skeleton": "XQNZMCQERWNEIL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.524, "axes": {"activity": 11.9, "binding": 16.86, "selectivity": 12.69, "admet": 7.02, "novelty": 4.5, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.397}, "binding": {"pIC50": 7.53, "LE": 0.43, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.0, "selectivity_term": 0.752, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.522, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.602, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.313807439234937, "aff_pf": -1.529120643933614, "aff_hs": -0.024416009585062664, "repeats_pf": {"runs": 3, "values": [-1.4688, -1.6018, -1.5168], "mean": -1.5291, "spread": 0.1329}, "repeats_hs": {"runs": 3, "values": [0.0005, -0.0206, -0.0531], "mean": -0.0244, "spread": 0.0536}, "at": 1789437670}, "tier": 1, "alerts": [], "total_sd": 0.797, "total_ci95": [55.021, 57.84], "relegate_reason": [], "submitted_at": 1789435446, "scored_at": 1789437670, "rank": 1252}, {"candidate_id": "ODC-354C15", "res_at": 1787519018, "skeleton": "MJKZGZCOUZMIEA", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-TRI01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.506, "axes": {"activity": 20.21, "binding": 15.78, "selectivity": 9.95, "admet": 4.06, "novelty": 3.3, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.812, "fraction": 0.674}, "binding": {"pIC50": 7.37, "LE": 0.374, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.3, "selectivity_term": 0.631, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.399, "ld50-zhu": 0.477, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.812316604677375, "aff_pf": -1.3668250640233357, "aff_hs": -0.10522458453973134, "repeats_pf": {"runs": 3, "values": [-1.3293, -1.3843, -1.3869], "mean": -1.3668, "spread": 0.0576}, "repeats_hs": {"runs": 3, "values": [-0.1508, -0.1166, -0.0483], "mean": -0.1052, "spread": 0.1025}, "at": 1787519018}, "tier": 1, "relegate_reason": [], "submitted_at": 1787518831, "scored_at": 1787519018, "alerts": [], "rank": 1253}, {"candidate_id": "ODC-76FE66", "res_at": 1789526695, "skeleton": "MMMNWPRIQBDPKX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Br", "total": 56.505, "axes": {"activity": 10.17, "binding": 17.91, "selectivity": 14.73, "admet": 4.99, "novelty": 4.7, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 5.21, "fraction": 0.339}, "binding": {"pIC50": 7.69, "LE": 0.439, "potency_term": 0.896, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.1, "selectivity_term": 0.822, "target_engagement": 0.896}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.532, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 0.125, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.210328673394384, "aff_pf": -1.6865495840708415, "aff_hs": -0.04222253461678823, "repeats_pf": {"runs": 3, "values": [-1.5937, -1.6446, -1.8214], "mean": -1.6865, "spread": 0.2277}, "repeats_hs": {"runs": 3, "values": [-0.0613, 0.0378, -0.1032], "mean": -0.0422, "spread": 0.1411}, "at": 1789526695}, "tier": 1, "alerts": [], "total_sd": 1.409, "total_ci95": [54.126, 60.098], "relegate_reason": [], "submitted_at": 1789524605, "scored_at": 1789526695, "rank": 1254}, {"candidate_id": "ODC-19DB28", "res_at": 1787173340, "skeleton": "JHBPXTXZSBJBCX", "hf_user": "1Dmeds", "display_name": "ODC26-FN-09", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 56.504, "axes": {"activity": 18.19, "binding": 17.21, "selectivity": 6.28, "admet": 5.94, "novelty": 5.24, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.692, "fraction": 0.606}, "binding": {"pIC50": 7.58, "LE": 0.433, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.365, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.113, "cyp3a4-substrate-carbonmangels": 0.319, "ld50-zhu": 0.496, "herg": 0.483, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.691622339030771, "aff_pf": -1.5812414089838664, "aff_hs": -0.8516448537508646, "repeats_pf": {"runs": 3, "values": [-1.5451, -1.661, -1.5377], "mean": -1.5812, "spread": 0.1233}, "repeats_hs": {"runs": 3, "values": [-0.9878, -0.5785, -0.9886], "mean": -0.8516, "spread": 0.4101}, "at": 1787173340}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171681, "scored_at": 1787173340, "alerts": [], "rank": 1255}, {"candidate_id": "ODC-6DA777", "res_at": 1787720028, "skeleton": "AWFZUANZRDKXRI", "hf_user": "1Dmeds", "display_name": "ODC26-R2-14-CMe2F", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 56.5, "axes": {"activity": 18.84, "binding": 16.35, "selectivity": 8.29, "admet": 4.73, "novelty": 4.97, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.73, "fraction": 0.628}, "binding": {"pIC50": 7.5, "LE": 0.294, "potency_term": 0.835, "efficiency_cap": 0.979}, "selectivity": {"fold": 9.8, "selectivity_term": 0.497, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.486, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.785, "herg": 0.15, "dili": 0.219}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.730301043724537, "aff_pf": -1.5044455130894978, "aff_hs": -0.5113926927248637, "repeats_pf": {"runs": 3, "values": [-1.527, -1.5685, -1.4178], "mean": -1.5044, "spread": 0.1507}, "repeats_hs": {"runs": 3, "values": [-0.4808, -0.5409, -0.5125], "mean": -0.5114, "spread": 0.0601}, "at": 1787720028}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717422, "scored_at": 1787720028, "alerts": [], "rank": 1256}, {"candidate_id": "ODC-4EB6E1", "res_at": 1788965871, "skeleton": "VSGYJZTXWPCDSQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 56.498, "axes": {"activity": 17.34, "binding": 15.59, "selectivity": 10.73, "admet": 6.39, "novelty": 2.85, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.64, "fraction": 0.578}, "binding": {"pIC50": 7.34, "LE": 0.419, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.8, "selectivity_term": 0.688, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.544, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.421, "herg": 0.379, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.640222374093876, "aff_pf": -1.3382811546325684, "aff_hs": 0.037854038178920746, "repeats_pf": {"runs": 3, "values": [-1.3347, -1.3308, -1.3494], "mean": -1.3383, "spread": 0.0185}, "repeats_hs": {"runs": 3, "values": [-0.0029, 0.0377, 0.0789], "mean": 0.0379, "spread": 0.0818}, "at": 1788965871}, "tier": 1, "alerts": [], "total_sd": 0.185, "total_ci95": [56.135, 56.832], "relegate_reason": [], "submitted_at": 1788963494, "scored_at": 1788965871, "rank": 1257}, {"candidate_id": "ODC-EB28E5", "res_at": 1788449566, "skeleton": "KFXXWKNAJSCLPN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-CX-Ring-NH", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CNCC1", "total": 56.474, "axes": {"activity": 30.0, "binding": 6.91, "selectivity": 3.11, "admet": 5.86, "novelty": 7.36, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 6.425, "fraction": 1.0}, "binding": {"pIC50": 6.33, "LE": 0.234, "potency_term": 0.442, "efficiency_cap": 0.781}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.54, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.528, "cyp2c9-veith": 0.488, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.74}}, "run": {"gpu": "0", "pAct_q10": 6.424800893233709, "aff_pf": -0.3274427553017934, "aff_hs": 0.3761470417181651, "repeats_pf": {"runs": 3, "values": [-0.2948, -0.3236, -0.3639], "mean": -0.3274, "spread": 0.0691}, "repeats_hs": {"runs": 3, "values": [0.321, 0.3891, 0.4183], "mean": 0.3761, "spread": 0.0973}, "at": 1788449566}, "tier": 1, "alerts": [], "total_sd": 0.232, "total_ci95": [56.051, 56.923], "relegate_reason": [], "submitted_at": 1788393846, "scored_at": 1788449566, "rank": 1258}, {"candidate_id": "ODC-56D7DB", "res_at": 1786873596, "skeleton": "HFLCNOQNPPKISG", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.472, "axes": {"activity": 13.42, "binding": 17.76, "selectivity": 9.71, "admet": 7.31, "novelty": 4.68, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.66, "LE": 0.437, "potency_term": 0.888, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.888}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.634, "herg": 0.721, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.405425253867942, "aff_pf": -1.6639378468195598, "aff_hs": -0.5708279808362325, "repeats_pf": {"runs": 3, "values": [-1.6061, -1.6671, -1.7186], "mean": -1.6639, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [-0.5579, -0.5475, -0.6071], "mean": -0.5708, "spread": 0.0596}, "at": 1786873596}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866712, "scored_at": 1786873596, "alerts": [], "rank": 1259}, {"candidate_id": "ODC-0103A7", "res_at": 1787645622, "skeleton": "AYWDTHRGMPBTRA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)O··········(C)n1", "total": 56.467, "axes": {"activity": 28.09, "binding": 11.81, "selectivity": 0.45, "admet": 7.61, "novelty": 7.31, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 6.285, "fraction": 0.936}, "binding": {"pIC50": 6.77, "LE": 0.309, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.038, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.704, "cyp2c9-veith": 0.996, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.763, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.22, "novelty": 0.78}, "synthesis": {"sa_score": 5.1}}, "run": {"gpu": "3", "pAct_q10": 6.285119733469615, "aff_pf": -0.7707589467366537, "aff_hs": -0.6945016781489054, "repeats_pf": {"runs": 3, "values": [-0.7093, -0.86, -0.743], "mean": -0.7708, "spread": 0.1507}, "repeats_hs": {"runs": 3, "values": [-0.5712, -0.7028, -0.8095], "mean": -0.6945, "spread": 0.2383}, "at": 1787645622}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641309, "scored_at": 1787645622, "alerts": [], "rank": 1260}, {"candidate_id": "ODC-1832C5", "res_at": 1789623080, "skeleton": "IPCXSGBLTDKWEM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.467, "axes": {"activity": 18.01, "binding": 18.09, "selectivity": 6.62, "admet": 5.1, "novelty": 4.88, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.681, "fraction": 0.6}, "binding": {"pIC50": 7.71, "LE": 0.406, "potency_term": 0.905, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.366, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.511, "herg": 0.168, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.680581497330148, "aff_pf": -1.7136130332946777, "aff_hs": -0.981736441453298, "repeats_pf": {"runs": 3, "values": [-1.7607, -1.6368, -1.7434], "mean": -1.7136, "spread": 0.124}, "repeats_hs": {"runs": 3, "values": [-1.3897, -0.7584, -0.7971], "mean": -0.9817, "spread": 0.6313}, "at": 1789623080}, "tier": 1, "alerts": [], "total_sd": 1.504, "total_ci95": [53.755, 59.246], "relegate_reason": [], "submitted_at": 1789619218, "scored_at": 1789623080, "rank": 1261}, {"candidate_id": "ODC-91D77E", "res_at": 1789046118, "skeleton": "JLUHNLQOLOUOLX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 56.454, "axes": {"activity": 15.05, "binding": 17.21, "selectivity": 11.17, "admet": 6.34, "novelty": 2.7, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 7.58, "LE": 0.433, "potency_term": 0.861, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.649, "target_engagement": 0.861}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.397, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.502938434186626, "aff_pf": -1.5815693140029907, "aff_hs": -0.28406322995821637, "repeats_pf": {"runs": 3, "values": [-1.6048, -1.4764, -1.6635], "mean": -1.5816, "spread": 0.1872}, "repeats_hs": {"runs": 3, "values": [-0.3354, -0.3392, -0.1776], "mean": -0.2841, "spread": 0.1616}, "at": 1789046118}, "tier": 1, "alerts": [], "total_sd": 1.073, "total_ci95": [54.344, 58.478], "relegate_reason": [], "submitted_at": 1789040517, "scored_at": 1789046118, "rank": 1262}, {"candidate_id": "ODC-E01CD5", "res_at": 1788221594, "skeleton": "RUSXEQZDWUCZEO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 56.453, "axes": {"activity": 12.03, "binding": 17.67, "selectivity": 11.7, "admet": 6.56, "novelty": 5.72, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 7.65, "LE": 0.437, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.1, "selectivity_term": 0.662, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.507, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.539, "herg": 0.546, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.321851685655085, "aff_pf": -1.649919589360555, "aff_hs": -0.32510945200920105, "repeats_pf": {"runs": 3, "values": [-1.5881, -1.6762, -1.6854], "mean": -1.6499, "spread": 0.0973}, "repeats_hs": {"runs": 3, "values": [-0.3411, -0.2982, -0.3361], "mean": -0.3251, "spread": 0.0429}, "at": 1788221594}, "tier": 1, "alerts": [], "total_sd": 0.716, "total_ci95": [54.759, 57.478], "relegate_reason": [], "submitted_at": 1788145059, "scored_at": 1788221594, "rank": 1263}, {"candidate_id": "ODC-FA3EEA", "res_at": 1789341545, "skeleton": "XUHAXTMFGGVFRS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 56.444, "axes": {"activity": 12.79, "binding": 15.83, "selectivity": 15.83, "admet": 4.87, "novelty": 3.96, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.426}, "binding": {"pIC50": 7.37, "LE": 0.389, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 101.1, "selectivity_term": 1.0, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.489, "herg": 0.255, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.367529588499981, "aff_pf": -1.3738640149434407, "aff_hs": 0.6307461261749268, "repeats_pf": {"runs": 3, "values": [-1.3235, -1.3786, -1.4195], "mean": -1.3739, "spread": 0.096}, "repeats_hs": {"runs": 3, "values": [0.7791, 0.5713, 0.5419], "mean": 0.6307, "spread": 0.2372}, "at": 1789341545}, "tier": 1, "alerts": [], "total_sd": 0.542, "total_ci95": [55.101, 57.13], "relegate_reason": [], "submitted_at": 1789339974, "scored_at": 1789341545, "rank": 1264}, {"candidate_id": "ODC-BA8443", "res_at": 1787152239, "skeleton": "JLTBNVFUDKDQJI", "hf_user": "Ku-ku", "display_name": "M05_5F_SMe_Br3F", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.437, "axes": {"activity": 15.17, "binding": 15.96, "selectivity": 11.35, "admet": 6.51, "novelty": 3.84, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 7.39, "LE": 0.482, "potency_term": 0.798, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.4, "selectivity_term": 0.711, "target_engagement": 0.798}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.424, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.510422000290781, "aff_pf": -1.3937606414159138, "aff_hs": 0.028334240118662517, "repeats_pf": {"runs": 3, "values": [-1.3485, -1.3912, -1.4416], "mean": -1.3938, "spread": 0.0931}, "repeats_hs": {"runs": 3, "values": [0.11, 0.0806, -0.1056], "mean": 0.0283, "spread": 0.2156}, "at": 1787152239}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148017, "scored_at": 1787152239, "alerts": [], "rank": 1265}, {"candidate_id": "ODC-31D0FC", "res_at": 1787954404, "skeleton": "BRJSRBVOLMPFCW", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C1)C2", "total": 56.434, "axes": {"activity": 30.0, "binding": 11.84, "selectivity": 0.0, "admet": 4.0, "novelty": 7.53, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 6.508, "fraction": 1.0}, "binding": {"pIC50": 6.78, "LE": 0.3, "potency_term": 0.593, "efficiency_cap": 0.999}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.275, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.78, "herg": 0.05, "dili": 0.183}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.86}}, "run": {"gpu": "0", "pAct_q10": 6.508131290217765, "aff_pf": -0.7788061300913492, "aff_hs": -1.0740228494008381, "repeats_pf": {"runs": 3, "values": [-0.9694, -0.731, -0.636], "mean": -0.7788, "spread": 0.3334}, "repeats_hs": {"runs": 3, "values": [-1.0441, -1.2923, -0.8857], "mean": -1.074, "spread": 0.4066}, "at": 1787954404}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946073, "scored_at": 1787954404, "alerts": [], "rank": 1266}, {"candidate_id": "ODC-8EB7F4", "res_at": 1789611568, "skeleton": "HEINGAHIGIGKND", "hf_user": "Ku-ku", "display_name": "KK-M-0917-358", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 56.434, "axes": {"activity": 13.17, "binding": 15.71, "selectivity": 11.71, "admet": 7.89, "novelty": 5.2, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 7.36, "LE": 0.438, "potency_term": 0.785, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.9, "selectivity_term": 0.745, "target_engagement": 0.785}, "admet": {"geometric_mean": 0.67, "per_endpoint": {"solubility-aqsoldb": 0.792, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.685, "cyp3a4-substrate-carbonmangels": 0.635, "ld50-zhu": 0.531, "herg": 0.727, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 5.390104780653185, "aff_pf": -1.3562954266866047, "aff_hs": 0.13434627652168274, "repeats_pf": {"runs": 3, "values": [-1.3434, -1.3593, -1.3663], "mean": -1.3563, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [0.2085, 0.1087, 0.0858], "mean": 0.1343, "spread": 0.1227}, "at": 1789611568}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.272, "total_ci95": [55.915, 56.957], "relegate_reason": [], "submitted_at": 1789611368, "scored_at": 1789611568, "rank": 1267}, {"candidate_id": "ODC-C1A440", "res_at": 1788236377, "skeleton": "UWDMGHZGCMPZMV", "hf_user": "Bio-JS", "display_name": "0901-S1 싸이에탄-메틸 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 56.432, "axes": {"activity": 18.21, "binding": 14.74, "selectivity": 12.77, "admet": 2.92, "novelty": 4.88, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.692, "fraction": 0.607}, "binding": {"pIC50": 7.32, "LE": 0.286, "potency_term": 0.772, "efficiency_cap": 0.955}, "selectivity": {"fold": 45.1, "selectivity_term": 0.827, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.345, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.456, "herg": 0.05, "dili": 0.253}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.692440661897475, "aff_pf": -1.315686821937561, "aff_hs": 0.338871568441391, "repeats_pf": {"runs": 3, "values": [-1.3296, -1.2861, -1.3313], "mean": -1.3157, "spread": 0.0452}, "repeats_hs": {"runs": 3, "values": [0.2909, 0.2631, 0.4626], "mean": 0.3389, "spread": 0.1996}, "at": 1788236377}, "tier": 1, "alerts": [], "total_sd": 0.54, "total_ci95": [55.521, 57.383], "relegate_reason": [], "submitted_at": 1788222269, "scored_at": 1788236377, "rank": 1268}, {"candidate_id": "ODC-87B7DB", "res_at": 1787569545, "skeleton": "MQBGEMAACCFHNS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 56.417, "axes": {"activity": 27.87, "binding": 12.11, "selectivity": 0.0, "admet": 8.04, "novelty": 7.24, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 6.272, "fraction": 0.929}, "binding": {"pIC50": 6.82, "LE": 0.311, "potency_term": 0.606, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.946, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.965, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.221, "novelty": 0.779}, "synthesis": {"sa_score": 5.13}}, "run": {"gpu": "3", "pAct_q10": 6.272245309175858, "aff_pf": -0.8169358372688293, "aff_hs": -0.8496443827946981, "repeats_pf": {"runs": 3, "values": [-0.7862, -0.8308, -0.8339], "mean": -0.8169, "spread": 0.0477}, "repeats_hs": {"runs": 3, "values": [-0.7142, -0.9277, -0.9071], "mean": -0.8496, "spread": 0.2135}, "at": 1787569545}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566881, "scored_at": 1787569545, "alerts": [], "rank": 1269}, {"candidate_id": "ODC-D21B7C", "res_at": 1789267540, "skeleton": "NWTSAFFCECDCNV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.415, "axes": {"activity": 15.98, "binding": 17.46, "selectivity": 9.27, "admet": 6.02, "novelty": 4.02, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.559, "fraction": 0.533}, "binding": {"pIC50": 7.62, "LE": 0.418, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.491, "herg": 0.447, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.558956224278432, "aff_pf": -1.6189817984898884, "aff_hs": -0.5569626490275065, "repeats_pf": {"runs": 3, "values": [-1.6318, -1.5826, -1.6425], "mean": -1.619, "spread": 0.0599}, "repeats_hs": {"runs": 3, "values": [-0.516, -0.6127, -0.5422], "mean": -0.557, "spread": 0.0967}, "at": 1789267540}, "tier": 1, "alerts": [], "total_sd": 0.412, "total_ci95": [55.54, 57.182], "relegate_reason": [], "submitted_at": 1789263546, "scored_at": 1789267540, "rank": 1270}, {"candidate_id": "ODC-75768A", "res_at": 1787711662, "skeleton": "GVOJBLVPXMSAGN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 56.407, "axes": {"activity": 29.11, "binding": 11.03, "selectivity": 0.0, "admet": 7.66, "novelty": 7.58, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 6.347, "fraction": 0.97}, "binding": {"pIC50": 6.68, "LE": 0.295, "potency_term": 0.56, "efficiency_cap": 0.984}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 0.944, "pgp-broccatelli": 0.386, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.054, "ld50-zhu": 0.782, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.219, "novelty": 0.781}, "synthesis": {"sa_score": 5.26}}, "run": {"gpu": "3", "pAct_q10": 6.346758893144638, "aff_pf": -0.6814221739768982, "aff_hs": -0.9074277679125468, "repeats_pf": {"runs": 3, "values": [-1.0053, -0.525, -0.514], "mean": -0.6814, "spread": 0.4912}, "repeats_hs": {"runs": 3, "values": [-0.9392, -0.8876, -0.8954], "mean": -0.9074, "spread": 0.0516}, "at": 1787711662}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709686, "scored_at": 1787711662, "alerts": [], "rank": 1271}, {"candidate_id": "ODC-784562", "res_at": 1786835522, "skeleton": "DVQXQTMVMHPNGG", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.403, "axes": {"activity": 13.12, "binding": 15.98, "selectivity": 12.55, "admet": 6.56, "novelty": 4.35, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.387, "fraction": 0.437}, "binding": {"pIC50": 7.4, "LE": 0.507, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.2, "selectivity_term": 0.785, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.397, "herg": 0.287, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 5.387443592358907, "aff_pf": -1.3975200255711873, "aff_hs": 0.17308568954467773, "repeats_pf": {"runs": 3, "values": [-1.3621, -1.4467, -1.3837], "mean": -1.3975, "spread": 0.0846}, "repeats_hs": {"runs": 3, "values": [0.0204, 0.2101, 0.2888], "mean": 0.1731, "spread": 0.2684}, "at": 1786835522}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804184, "scored_at": 1786835522, "alerts": [], "rank": 1272}, {"candidate_id": "ODC-C50D68", "res_at": 1786903776, "skeleton": "ZLEZVJPFSYSEQO", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········nc2n1", "total": 56.398, "axes": {"activity": 22.21, "binding": 10.46, "selectivity": 9.83, "admet": 6.0, "novelty": 4.7, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.933, "fraction": 0.74}, "binding": {"pIC50": 6.57, "LE": 0.391, "potency_term": 0.523, "efficiency_cap": 1.0}, "selectivity": {"fold": 75.8, "selectivity_term": 0.94, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.462, "herg": 0.684, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.932718427730998, "aff_pf": -0.5691177646319071, "aff_hs": 1.3103861808776855, "repeats_pf": {"runs": 3, "values": [-0.5936, -0.5619, -0.5518], "mean": -0.5691, "spread": 0.0418}, "repeats_hs": {"runs": 3, "values": [1.3274, 1.3824, 1.2214], "mean": 1.3104, "spread": 0.161}, "at": 1786903776}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900926, "scored_at": 1786903776, "alerts": [], "rank": 1273}, {"candidate_id": "ODC-90B8C5", "res_at": 1787628184, "skeleton": "KPAJZFNRHAJLFW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 56.394, "axes": {"activity": 27.89, "binding": 11.02, "selectivity": 0.0, "admet": 8.68, "novelty": 6.97, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 6.273, "fraction": 0.93}, "binding": {"pIC50": 6.65, "LE": 0.314, "potency_term": 0.551, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.623, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.837, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.769, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 4.62}}, "run": {"gpu": "3", "pAct_q10": 6.27317877369903, "aff_pf": -0.6530519326527914, "aff_hs": -0.7024709383646647, "repeats_pf": {"runs": 3, "values": [-0.6849, -0.6959, -0.5783], "mean": -0.6531, "spread": 0.1176}, "repeats_hs": {"runs": 3, "values": [-0.8186, -0.621, -0.6677], "mean": -0.7025, "spread": 0.1976}, "at": 1787628184}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621884, "scored_at": 1787628184, "alerts": [], "rank": 1274}, {"candidate_id": "ODC-CC3FBB", "res_at": 1786876562, "skeleton": "MWCCCRBZBMKJEI", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 56.391, "axes": {"activity": 13.03, "binding": 15.49, "selectivity": 15.49, "admet": 5.22, "novelty": 4.0, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 7.32, "LE": 0.436, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 116.8, "selectivity_term": 1.0, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.589, "ld50-zhu": 0.395, "herg": 0.602, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.381764530779566, "aff_pf": -1.3234108686447144, "aff_hs": 0.7440663377443949, "repeats_pf": {"runs": 3, "values": [-1.3499, -1.2701, -1.3502], "mean": -1.3234, "spread": 0.0801}, "repeats_hs": {"runs": 3, "values": [0.7919, 0.6073, 0.833], "mean": 0.7441, "spread": 0.2256}, "at": 1786876562}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867659, "scored_at": 1786876562, "alerts": [], "rank": 1275}, {"candidate_id": "ODC-F34FCE", "res_at": 1787150428, "skeleton": "IMUFWVOOELVOJX", "hf_user": "takutoyo", "display_name": "PfD8-A6", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 56.385, "axes": {"activity": 22.77, "binding": 13.43, "selectivity": 7.22, "admet": 5.02, "novelty": 4.82, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.966, "fraction": 0.759}, "binding": {"pIC50": 7.01, "LE": 0.418, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.538, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.768, "ld50-zhu": 0.45, "herg": 0.59, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.966400707194072, "aff_pf": -1.0147597392400105, "aff_hs": 0.060902430986364685, "repeats_pf": {"runs": 3, "values": [-0.9411, -1.0259, -1.0773], "mean": -1.0148, "spread": 0.1362}, "repeats_hs": {"runs": 3, "values": [0.0443, 0.0256, 0.1129], "mean": 0.0609, "spread": 0.0873}, "at": 1787150428}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147989, "scored_at": 1787150428, "alerts": [], "rank": 1276}, {"candidate_id": "ODC-B7AAA1", "res_at": 1787954728, "skeleton": "NFAGEIAJEJKDMH", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C1)C2", "total": 56.378, "axes": {"activity": 30.0, "binding": 11.79, "selectivity": 0.0, "admet": 4.08, "novelty": 7.59, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 6.537, "fraction": 1.0}, "binding": {"pIC50": 6.77, "LE": 0.299, "potency_term": 0.591, "efficiency_cap": 0.998}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.591}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 0.807, "pgp-broccatelli": 0.286, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "0", "pAct_q10": 6.536986174663873, "aff_pf": -0.7729310194651285, "aff_hs": -1.230701168378194, "repeats_pf": {"runs": 3, "values": [-0.8722, -0.5494, -0.8972], "mean": -0.7729, "spread": 0.3479}, "repeats_hs": {"runs": 3, "values": [-0.9847, -1.3415, -1.3659], "mean": -1.2307, "spread": 0.3812}, "at": 1787954728}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946085, "scored_at": 1787954728, "alerts": [], "rank": 1277}, {"candidate_id": "ODC-D8B338", "res_at": 1786895364, "skeleton": "DQCFQPQHWIMZOC", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 56.375, "axes": {"activity": 12.38, "binding": 16.68, "selectivity": 14.2, "admet": 6.0, "novelty": 3.36, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 7.5, "LE": 0.447, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.5, "selectivity_term": 0.852, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.571, "ld50-zhu": 0.236, "herg": 0.705, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.342889807878451, "aff_pf": -1.501592795054118, "aff_hs": 0.2019167641798655, "repeats_pf": {"runs": 3, "values": [-1.5607, -1.4368, -1.5072], "mean": -1.5016, "spread": 0.1239}, "repeats_hs": {"runs": 3, "values": [0.1598, 0.1883, 0.2577], "mean": 0.2019, "spread": 0.0979}, "at": 1786895364}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890243, "scored_at": 1786895364, "alerts": [], "rank": 1278}, {"candidate_id": "ODC-447C13", "res_at": 1786873838, "skeleton": "BBRMQOWYJGYOCH", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.369, "axes": {"activity": 13.17, "binding": 16.75, "selectivity": 12.12, "admet": 6.95, "novelty": 3.78, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 7.51, "LE": 0.468, "potency_term": 0.838, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.0, "selectivity_term": 0.724, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.408, "cyp3a4-substrate-carbonmangels": 0.738, "ld50-zhu": 0.376, "herg": 0.998, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.549, "novelty": 0.451}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.390445062650417, "aff_pf": -1.5127081473668416, "aff_hs": -0.06565405925114949, "repeats_pf": {"runs": 3, "values": [-1.5659, -1.4744, -1.4978], "mean": -1.5127, "spread": 0.0916}, "repeats_hs": {"runs": 3, "values": [-0.011, -0.1623, -0.0237], "mean": -0.0657, "spread": 0.1513}, "at": 1786873838}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866713, "scored_at": 1786873838, "alerts": [], "rank": 1279}, {"candidate_id": "ODC-B49E2C", "res_at": 1789526039, "skeleton": "RKFIQKQYTAFIBF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 56.365, "axes": {"activity": 12.4, "binding": 17.14, "selectivity": 14.37, "admet": 4.07, "novelty": 4.56, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.344, "fraction": 0.413}, "binding": {"pIC50": 7.57, "LE": 0.415, "potency_term": 0.857, "efficiency_cap": 1.0}, "selectivity": {"fold": 47.5, "selectivity_term": 0.838, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.861, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.486, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.344017228883691, "aff_pf": -1.5713627338409424, "aff_hs": 0.1053905040025711, "repeats_pf": {"runs": 3, "values": [-1.5655, -1.5421, -1.6064], "mean": -1.5714, "spread": 0.0643}, "repeats_hs": {"runs": 3, "values": [0.2344, 0.0752, 0.0065], "mean": 0.1054, "spread": 0.2279}, "at": 1789526039}, "tier": 1, "alerts": [], "total_sd": 0.608, "total_ci95": [55.17, 57.47], "relegate_reason": [], "submitted_at": 1789524498, "scored_at": 1789526039, "rank": 1280}, {"candidate_id": "ODC-C0CA8D", "res_at": 1787587724, "skeleton": "IGLHFPHQQUQGIA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 56.354, "axes": {"activity": 12.72, "binding": 20.0, "selectivity": 9.9, "admet": 5.06, "novelty": 4.48, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 5.363, "fraction": 0.424}, "binding": {"pIC50": 8.0, "LE": 0.422, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.495, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.819, "ld50-zhu": 0.498, "herg": 0.114, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.363036771683725, "aff_pf": -2.000854969024658, "aff_hs": -1.0110689004262288, "repeats_pf": {"runs": 3, "values": [-1.944, -2.0328, -2.0258], "mean": -2.0009, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [-0.9427, -1.0162, -1.0743], "mean": -1.0111, "spread": 0.1316}, "at": 1787587724}, "tier": 1, "relegate_reason": [], "submitted_at": 1787584290, "scored_at": 1787587724, "alerts": [], "rank": 1281}, {"candidate_id": "ODC-159E62", "res_at": 1787192880, "skeleton": "QONMPEDGLOYKNT", "hf_user": "Ku-ku", "display_name": "P4_vinyl_SCHF2_4I", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 56.341, "axes": {"activity": 21.28, "binding": 14.13, "selectivity": 9.18, "admet": 4.83, "novelty": 4.04, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.877, "fraction": 0.709}, "binding": {"pIC50": 7.12, "LE": 0.424, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.9, "selectivity_term": 0.65, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.716, "ld50-zhu": 0.316, "herg": 0.892, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.876806291494952, "aff_pf": -1.1198400656382244, "aff_hs": 0.1793373723824819, "repeats_pf": {"runs": 3, "values": [-1.0754, -1.1508, -1.1333], "mean": -1.1198, "spread": 0.0755}, "repeats_hs": {"runs": 3, "values": [0.273, 0.0699, 0.1952], "mean": 0.1793, "spread": 0.2031}, "at": 1787192880}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190272, "scored_at": 1787192880, "alerts": [], "rank": 1282}, {"candidate_id": "ODC-E8566B", "res_at": 1787047306, "skeleton": "WWULLPWXKAYCSE", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M3", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.339, "axes": {"activity": 12.26, "binding": 15.63, "selectivity": 15.63, "admet": 6.57, "novelty": 2.6, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.409}, "binding": {"pIC50": 7.34, "LE": 0.437, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 107.8, "selectivity_term": 1.0, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.532, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.643, "cyp3a4-substrate-carbonmangels": 0.163, "ld50-zhu": 0.448, "herg": 0.948, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 5.335402241041634, "aff_pf": -1.3441946506500244, "aff_hs": 0.6883229811986288, "repeats_pf": {"runs": 3, "values": [-1.3874, -1.2822, -1.3629], "mean": -1.3442, "spread": 0.1052}, "repeats_hs": {"runs": 3, "values": [0.7045, 0.5547, 0.8057], "mean": 0.6883, "spread": 0.251}, "at": 1787047306}, "tier": 1, "relegate_reason": [], "submitted_at": 1787041269, "scored_at": 1787047306, "alerts": [], "rank": 1283}, {"candidate_id": "ODC-6219A8", "res_at": 1787572477, "skeleton": "LKOUBYAAQTZWLZ", "hf_user": "Ku-ku", "display_name": "KK-M-0824-22", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 56.315, "axes": {"activity": 26.21, "binding": 12.42, "selectivity": 3.95, "admet": 4.09, "novelty": 5.95, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.172, "fraction": 0.874}, "binding": {"pIC50": 6.86, "LE": 0.324, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.097, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.3, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 6.172415146252653, "aff_pf": -0.862963080406189, "aff_hs": -0.22651341060797373, "repeats_pf": {"runs": 3, "values": [-0.8075, -0.9153, -0.866], "mean": -0.863, "spread": 0.1078}, "repeats_hs": {"runs": 3, "values": [-0.2959, -0.1536, -0.2301], "mean": -0.2265, "spread": 0.1423}, "at": 1787572477}, "tier": 1, "relegate_reason": [], "submitted_at": 1787572110, "scored_at": 1787572477, "alerts": [], "rank": 1284}, {"candidate_id": "ODC-212232", "res_at": 1788776107, "skeleton": "FQCLDJKFVGRSTI", "hf_user": "Bio-JS", "display_name": "0906-S1-26 SCF3/H/R6-H/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 56.302, "axes": {"activity": 14.19, "binding": 16.59, "selectivity": 10.84, "admet": 5.75, "novelty": 5.23, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.452, "fraction": 0.473}, "binding": {"pIC50": 7.49, "LE": 0.446, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.2, "selectivity_term": 0.653, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.539, "herg": 0.364, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.451607292311175, "aff_pf": -1.4889033635457356, "aff_hs": -0.1826968863606453, "repeats_pf": {"runs": 3, "values": [-1.5081, -1.4683, -1.4904], "mean": -1.4889, "spread": 0.0398}, "repeats_hs": {"runs": 3, "values": [-0.1612, -0.0976, -0.2893], "mean": -0.1827, "spread": 0.1916}, "at": 1788776107}, "tier": 1, "alerts": [], "total_sd": 0.419, "total_ci95": [55.588, 57.02], "relegate_reason": [], "submitted_at": 1788666085, "scored_at": 1788776107, "rank": 1285}, {"candidate_id": "ODC-F0B631", "res_at": 1787081869, "skeleton": "DMFBUOUHNLFBLZ", "hf_user": "1Dmeds", "display_name": "ODC26-MB-12", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Br", "total": 56.293, "axes": {"activity": 23.1, "binding": 13.71, "selectivity": 6.3, "admet": 5.44, "novelty": 4.7, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.986, "fraction": 0.77}, "binding": {"pIC50": 7.06, "LE": 0.403, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.637, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.474, "herg": 0.453, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.986215199635969, "aff_pf": -1.0570932229359944, "aff_hs": -0.13784399131933847, "repeats_pf": {"runs": 3, "values": [-0.9511, -1.1039, -1.1163], "mean": -1.0571, "spread": 0.1653}, "repeats_hs": {"runs": 3, "values": [-0.1776, -0.1123, -0.1236], "mean": -0.1378, "spread": 0.0652}, "at": 1787081869}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069658, "scored_at": 1787081869, "alerts": [], "rank": 1286}, {"candidate_id": "ODC-357E44", "res_at": 1786841519, "skeleton": "PSLXTHVJPGPIHB", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "GPT-5.6 Sol, Claude-Opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.292, "axes": {"activity": 16.2, "binding": 17.13, "selectivity": 10.48, "admet": 5.1, "novelty": 3.81, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.572, "fraction": 0.54}, "binding": {"pIC50": 7.57, "LE": 0.415, "potency_term": 0.856, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.612, "target_engagement": 0.856}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.977, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.671, "ld50-zhu": 0.566, "herg": 0.229, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "1", "pAct_q10": 5.572248223264473, "aff_pf": -1.569028615951538, "aff_hs": -0.3451964259147644, "repeats_pf": {"runs": 3, "values": [-1.6116, -1.5459, -1.5496], "mean": -1.569, "spread": 0.0657}, "repeats_hs": {"runs": 3, "values": [-0.2645, -0.3824, -0.3887], "mean": -0.3452, "spread": 0.1242}, "at": 1786841519}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806533, "scored_at": 1786841519, "alerts": [], "rank": 1287}, {"candidate_id": "ODC-DD4480", "res_at": 1787557718, "skeleton": "GZLYZDLOEYLQPR", "hf_user": "takutoyo", "display_name": "PfD16-05", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 56.239, "axes": {"activity": 26.18, "binding": 9.36, "selectivity": 9.29, "admet": 3.21, "novelty": 5.21, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 6.171, "fraction": 0.873}, "binding": {"pIC50": 6.62, "LE": 0.259, "potency_term": 0.541, "efficiency_cap": 0.864}, "selectivity": {"fold": 52.0, "selectivity_term": 0.858, "target_engagement": 0.541}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 6.170832052458841, "aff_pf": -0.6239075263341268, "aff_hs": 1.0916959842046101, "repeats_pf": {"runs": 3, "values": [-0.6199, -0.6437, -0.6082], "mean": -0.6239, "spread": 0.0354}, "repeats_hs": {"runs": 3, "values": [1.1317, 0.9718, 1.1715], "mean": 1.0917, "spread": 0.1997}, "at": 1787557718}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544050, "scored_at": 1787557718, "alerts": [], "rank": 1288}, {"candidate_id": "ODC-801280", "res_at": 1788230974, "skeleton": "KPYNLLJJQLIBKM", "hf_user": "Ku-ku", "display_name": "KK-M-0831-038", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········3)c1C", "total": 56.229, "axes": {"activity": 30.0, "binding": 8.88, "selectivity": 2.43, "admet": 4.47, "novelty": 7.34, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 6.43, "fraction": 1.0}, "binding": {"pIC50": 6.34, "LE": 0.299, "potency_term": 0.445, "efficiency_cap": 0.998}, "selectivity": {"fold": 3.5, "selectivity_term": 0.273, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.86, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.31, "ld50-zhu": 0.632, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "3", "pAct_q10": 6.4295384293561115, "aff_pf": -0.33516386648019153, "aff_hs": 0.21136054893334708, "repeats_pf": {"runs": 3, "values": [-0.4444, -0.3325, -0.2286], "mean": -0.3352, "spread": 0.2158}, "repeats_hs": {"runs": 3, "values": [0.3852, 0.1639, 0.085], "mean": 0.2114, "spread": 0.3002}, "at": 1788230974}, "tier": 1, "alerts": [], "total_sd": 0.747, "total_ci95": [54.752, 57.668], "relegate_reason": [], "submitted_at": 1788186816, "scored_at": 1788230974, "rank": 1289}, {"candidate_id": "ODC-F7162E", "res_at": 1786953925, "skeleton": "LVPDVIHXNXBIPA", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.228, "axes": {"activity": 9.35, "binding": 16.37, "selectivity": 16.37, "admet": 5.91, "novelty": 4.47, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.161, "fraction": 0.312}, "binding": {"pIC50": 7.46, "LE": 0.486, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 187.1, "selectivity_term": 1.0, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.369, "herg": 0.528, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.1612106649230745, "aff_pf": -1.4559338887532551, "aff_hs": 0.8162347475687662, "repeats_pf": {"runs": 3, "values": [-1.4139, -1.4727, -1.4813], "mean": -1.4559, "spread": 0.0674}, "repeats_hs": {"runs": 3, "values": [0.797, 0.8166, 0.8351], "mean": 0.8162, "spread": 0.038}, "at": 1786953925}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949092, "scored_at": 1786953925, "alerts": [], "rank": 1290}, {"candidate_id": "ODC-745DDB", "res_at": 1787249700, "skeleton": "VKEXQHAOAFPWQU", "hf_user": "1Dmeds", "display_name": "ODC26-R15-24", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 56.221, "axes": {"activity": 20.88, "binding": 15.97, "selectivity": 6.7, "admet": 4.37, "novelty": 5.17, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.853, "fraction": 0.696}, "binding": {"pIC50": 7.4, "LE": 0.405, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.419, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.494, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.42, "herg": 0.198, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.852749827715096, "aff_pf": -1.3956724007924397, "aff_hs": -0.5568013886610667, "repeats_pf": {"runs": 3, "values": [-1.4236, -1.4315, -1.332], "mean": -1.3957, "spread": 0.0995}, "repeats_hs": {"runs": 3, "values": [-0.8155, -0.4843, -0.3706], "mean": -0.5568, "spread": 0.4449}, "at": 1787249700}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242162, "scored_at": 1787249700, "alerts": [], "rank": 1291}, {"candidate_id": "ODC-BFF2FD", "res_at": 1787657954, "skeleton": "HPAFVLMLKYCFAN", "hf_user": "Ku-ku", "display_name": "KK-M-0825-06", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C1)C2", "total": 56.214, "axes": {"activity": 30.0, "binding": 12.51, "selectivity": 0.0, "admet": 3.7, "novelty": 6.93, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 6.585, "fraction": 1.0}, "binding": {"pIC50": 6.88, "LE": 0.314, "potency_term": 0.626, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 0.936, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.769, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "3", "pAct_q10": 6.584765705568013, "aff_pf": -0.8769335150718689, "aff_hs": -1.2635362545649211, "repeats_pf": {"runs": 3, "values": [-0.743, -0.9105, -0.9772], "mean": -0.8769, "spread": 0.2342}, "repeats_hs": {"runs": 3, "values": [-1.5072, -0.9839, -1.2995], "mean": -1.2635, "spread": 0.5233}, "at": 1787657954}, "tier": 1, "relegate_reason": [], "submitted_at": 1787656837, "scored_at": 1787657954, "alerts": [], "rank": 1292}, {"candidate_id": "ODC-7E7552", "res_at": 1788087675, "skeleton": "OWSIENXXNYILKB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.208, "axes": {"activity": 17.3, "binding": 13.54, "selectivity": 13.54, "admet": 4.43, "novelty": 4.44, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.638, "fraction": 0.577}, "binding": {"pIC50": 7.03, "LE": 0.401, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 116.4, "selectivity_term": 1.0, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.551, "herg": 0.385, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.63819997671059, "aff_pf": -1.0303069750467937, "aff_hs": 1.035530924797058, "repeats_pf": {"runs": 3, "values": [-1.0211, -1.0492, -1.0206], "mean": -1.0303, "spread": 0.0285}, "repeats_hs": {"runs": 3, "values": [1.1064, 1.0711, 0.9291], "mean": 1.0355, "spread": 0.1774}, "at": 1788087675}, "tier": 1, "alerts": [], "total_sd": 0.165, "total_ci95": [55.928, 56.57], "relegate_reason": [], "submitted_at": 1788080447, "scored_at": 1788087675, "rank": 1293}, {"candidate_id": "ODC-E5F5CE", "res_at": 1786803045, "skeleton": "SVZGXZSMHJAHAE", "hf_user": "ipsych", "display_name": "TP-4Cl-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.201, "axes": {"activity": 15.68, "binding": 17.45, "selectivity": 11.34, "admet": 5.12, "novelty": 2.63, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.541, "fraction": 0.523}, "binding": {"pIC50": 7.62, "LE": 0.454, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.9, "selectivity_term": 0.649, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.369, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.5407728984169795, "aff_pf": -1.6182113488515217, "aff_hs": -0.31938503185908, "repeats_pf": {"runs": 3, "values": [-1.6046, -1.619, -1.631], "mean": -1.6182, "spread": 0.0264}, "repeats_hs": {"runs": 3, "values": [-0.3722, -0.2558, -0.3301], "mean": -0.3194, "spread": 0.1164}, "at": 1786803045}, "tier": 1, "relegate_reason": [], "submitted_at": 1786786702, "scored_at": 1786803045, "alerts": [], "rank": 1294}, {"candidate_id": "ODC-2D20E4", "res_at": 1789895798, "skeleton": "NKTFMVHWWGEXJE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.196, "axes": {"activity": 18.78, "binding": 18.3, "selectivity": 4.42, "admet": 6.32, "novelty": 4.49, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.727, "fraction": 0.626}, "binding": {"pIC50": 7.74, "LE": 0.442, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.505, "herg": 0.747, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.727073595412026, "aff_pf": -1.744840105374654, "aff_hs": -1.2622969150543213, "repeats_pf": {"runs": 3, "values": [-1.7069, -1.7353, -1.7923], "mean": -1.7448, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [-1.2781, -1.2846, -1.2243], "mean": -1.2623, "spread": 0.0603}, "at": 1789895798}, "tier": 1, "alerts": [], "total_sd": 0.517, "total_ci95": [55.336, 57.304], "relegate_reason": [], "submitted_at": 1789758070, "scored_at": 1789895798, "rank": 1295}, {"candidate_id": "ODC-53D754", "res_at": 1787878076, "skeleton": "OCDIKAQPHHYAFG", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L03", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········)CCC2", "total": 56.194, "axes": {"activity": 26.05, "binding": 11.86, "selectivity": 4.23, "admet": 4.56, "novelty": 5.98, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 6.163, "fraction": 0.868}, "binding": {"pIC50": 6.78, "LE": 0.344, "potency_term": 0.593, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.357, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.768, "ld50-zhu": 0.407, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.1628331747676155, "aff_pf": -0.7784130175908407, "aff_hs": -0.06441239515940349, "repeats_pf": {"runs": 3, "values": [-0.7576, -0.7839, -0.7938], "mean": -0.7784, "spread": 0.0362}, "repeats_hs": {"runs": 3, "values": [-0.0295, -0.103, -0.0608], "mean": -0.0644, "spread": 0.0735}, "at": 1787878076}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822309, "scored_at": 1787878076, "alerts": [], "rank": 1296}, {"candidate_id": "ODC-B15D7C", "res_at": 1788471263, "skeleton": "MXUSQSIMXNMRQR", "hf_user": "Ku-ku", "display_name": "KK-M-0903-927", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 56.174, "axes": {"activity": 16.45, "binding": 16.32, "selectivity": 9.28, "admet": 5.03, "novelty": 5.98, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.548}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.931, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 0.753, "ld50-zhu": 0.42, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 5.587010498334325, "aff_pf": -1.448120355606079, "aff_hs": -0.31042691071828205, "repeats_pf": {"runs": 3, "values": [-1.4752, -1.4614, -1.4077], "mean": -1.4481, "spread": 0.0675}, "repeats_hs": {"runs": 3, "values": [-0.3503, -0.2844, -0.2966], "mean": -0.3104, "spread": 0.0659}, "at": 1788471263}, "tier": 1, "alerts": [], "total_sd": 0.443, "total_ci95": [55.161, 56.871], "relegate_reason": [], "submitted_at": 1788407841, "scored_at": 1788471263, "rank": 1297}, {"candidate_id": "ODC-892B31", "res_at": 1787229786, "skeleton": "YZTYNFDZXNQBPX", "hf_user": "takutoyo", "display_name": "PfD10-14", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC[Se]c··········)n2n1", "total": 56.172, "axes": {"activity": 14.23, "binding": 17.49, "selectivity": 6.82, "admet": 8.78, "novelty": 5.83, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.474}, "binding": {"pIC50": 7.62, "LE": 0.435, "potency_term": 0.875, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.875}, "admet": {"geometric_mean": 0.669, "per_endpoint": {"solubility-aqsoldb": 0.564, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.703, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.609, "herg": 0.926, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.453504759403069, "aff_pf": -1.6236401796340942, "aff_hs": -0.8435336152712504, "repeats_pf": {"runs": 3, "values": [-1.6102, -1.6452, -1.6155], "mean": -1.6236, "spread": 0.035}, "repeats_hs": {"runs": 3, "values": [-0.8357, -0.8191, -0.8758], "mean": -0.8435, "spread": 0.0567}, "at": 1787229786}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787227312, "scored_at": 1787229786, "rank": 1298}, {"candidate_id": "ODC-94D6A9", "res_at": 1789204338, "skeleton": "YTYRLXDUQYFFLI", "hf_user": "Bio-JS", "display_name": "0912-S1-anil_Cl_CHF2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.14, "axes": {"activity": 13.36, "binding": 17.39, "selectivity": 12.0, "admet": 5.62, "novelty": 3.95, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 7.61, "LE": 0.453, "potency_term": 0.87, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.9, "selectivity_term": 0.69, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.458, "ld50-zhu": 0.476, "herg": 0.49, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.401393092239013, "aff_pf": -1.6092285712560017, "aff_hs": -0.2299997260173162, "repeats_pf": {"runs": 3, "values": [-1.5734, -1.63, -1.6243], "mean": -1.6092, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [-0.1702, -0.3451, -0.1747], "mean": -0.23, "spread": 0.1749}, "at": 1789204338}, "tier": 1, "alerts": [], "total_sd": 0.529, "total_ci95": [55.165, 57.091], "relegate_reason": [], "submitted_at": 1789177519, "scored_at": 1789204338, "rank": 1299}, {"candidate_id": "ODC-4844C2", "res_at": 1787711007, "skeleton": "SEJPHDFWHPLRAF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 56.126, "axes": {"activity": 27.11, "binding": 9.71, "selectivity": 1.9, "admet": 9.09, "novelty": 6.57, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 6.227, "fraction": 0.904}, "binding": {"pIC50": 6.48, "LE": 0.296, "potency_term": 0.492, "efficiency_cap": 0.986}, "selectivity": {"fold": 2.4, "selectivity_term": 0.193, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.67, "per_endpoint": {"solubility-aqsoldb": 0.602, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.74, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 4.64}}, "run": {"gpu": "3", "pAct_q10": 6.226563358420967, "aff_pf": -0.4766496419906616, "aff_hs": -0.09032414356867473, "repeats_pf": {"runs": 3, "values": [-0.5529, -0.4889, -0.3882], "mean": -0.4766, "spread": 0.1647}, "repeats_hs": {"runs": 3, "values": [-0.0474, -0.1946, -0.0289], "mean": -0.0903, "spread": 0.1657}, "at": 1787711007}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709648, "scored_at": 1787711007, "alerts": [], "rank": 1300}, {"candidate_id": "ODC-2A89BC", "res_at": 1787878956, "skeleton": "ONIAHJPTTZBOGD", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L05", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 56.108, "axes": {"activity": 26.51, "binding": 11.86, "selectivity": 4.18, "admet": 4.27, "novelty": 5.85, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 6.191, "fraction": 0.884}, "binding": {"pIC50": 6.78, "LE": 0.32, "potency_term": 0.593, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.353, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.190659672832299, "aff_pf": -0.7791991829872131, "aff_hs": -0.07398107647895813, "repeats_pf": {"runs": 3, "values": [-0.6825, -0.8647, -0.7904], "mean": -0.7792, "spread": 0.1822}, "repeats_hs": {"runs": 3, "values": [0.0411, -0.0712, -0.1919], "mean": -0.074, "spread": 0.233}, "at": 1787878956}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822318, "scored_at": 1787878956, "alerts": [], "rank": 1301}, {"candidate_id": "ODC-F1F051", "res_at": 1788994957, "skeleton": "RMYSKLGWIBATSI", "hf_user": "Bio-JS", "display_name": "0910-S1-09", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 56.096, "axes": {"activity": 20.88, "binding": 13.91, "selectivity": 8.14, "admet": 5.65, "novelty": 4.32, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.853, "fraction": 0.696}, "binding": {"pIC50": 7.09, "LE": 0.462, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.826, "ld50-zhu": 0.323, "herg": 0.932, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.852712234726595, "aff_pf": -1.086879809697469, "aff_hs": 0.08316036189595859, "repeats_pf": {"runs": 3, "values": [-1.0992, -1.0968, -1.0646], "mean": -1.0869, "spread": 0.0345}, "repeats_hs": {"runs": 3, "values": [0.0302, 0.0229, 0.1964], "mean": 0.0832, "spread": 0.1736}, "at": 1788994957}, "tier": 1, "alerts": [], "total_sd": 0.357, "total_ci95": [55.511, 56.883], "relegate_reason": [], "submitted_at": 1788993311, "scored_at": 1788994957, "rank": 1302}, {"candidate_id": "ODC-B0C49C", "res_at": 1786892400, "skeleton": "LAEIZELYPCTAPN", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.086, "axes": {"activity": 15.14, "binding": 16.21, "selectivity": 13.14, "admet": 4.84, "novelty": 3.62, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.505}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.8, "selectivity_term": 0.811, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.23, "cyp2c9-veith": 0.216, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.421, "herg": 0.05, "dili": 0.87}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "2", "pAct_q10": 5.508188038705193, "aff_pf": -1.4317182699839275, "aff_hs": 0.18932289878527322, "repeats_pf": {"runs": 3, "values": [-1.4246, -1.4092, -1.4613], "mean": -1.4317, "spread": 0.0521}, "repeats_hs": {"runs": 3, "values": [0.2114, 0.2287, 0.1279], "mean": 0.1893, "spread": 0.1008}, "at": 1786892400}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884820, "scored_at": 1786892400, "alerts": [], "rank": 1303}, {"candidate_id": "ODC-36FC9F", "res_at": 1787184463, "skeleton": "MTQLIVXNZLCMFJ", "hf_user": "Ku-ku", "display_name": "C2_ethynyl_SCH2F_CF3F", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 56.082, "axes": {"activity": 16.62, "binding": 16.56, "selectivity": 9.18, "admet": 5.28, "novelty": 5.29, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.597, "fraction": 0.554}, "binding": {"pIC50": 7.48, "LE": 0.394, "potency_term": 0.828, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.8, "selectivity_term": 0.554, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.454, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.58, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.597267075477714, "aff_pf": -1.4837781985600789, "aff_hs": -0.3751295606295268, "repeats_pf": {"runs": 3, "values": [-1.5283, -1.4628, -1.4603], "mean": -1.4838, "spread": 0.068}, "repeats_hs": {"runs": 3, "values": [-0.3302, -0.4971, -0.2981], "mean": -0.3751, "spread": 0.199}, "at": 1787184463}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184028, "scored_at": 1787184463, "alerts": [], "rank": 1304}, {"candidate_id": "ODC-0D5E0A", "res_at": 1787954620, "skeleton": "MUKWHSLFUIPOSG", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········)c2C1", "total": 56.081, "axes": {"activity": 26.07, "binding": 15.66, "selectivity": 1.15, "admet": 3.65, "novelty": 6.31, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 6.164, "fraction": 0.869}, "binding": {"pIC50": 7.35, "LE": 0.36, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.107, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.163929843345298, "aff_pf": -1.3491120338439941, "aff_hs": -1.2027848561604817, "repeats_pf": {"runs": 3, "values": [-1.3777, -1.3076, -1.362], "mean": -1.3491, "spread": 0.0701}, "repeats_hs": {"runs": 3, "values": [-1.3727, -0.9173, -1.3183], "mean": -1.2028, "spread": 0.4554}, "at": 1787954620}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946093, "scored_at": 1787954620, "alerts": [], "rank": 1305}, {"candidate_id": "ODC-F48C18", "res_at": 1789329265, "skeleton": "FMZVQPVAQCLYQL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 56.075, "axes": {"activity": 21.52, "binding": 14.33, "selectivity": 7.5, "admet": 4.99, "novelty": 4.75, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.891, "fraction": 0.717}, "binding": {"pIC50": 7.15, "LE": 0.363, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.524, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.706, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.891369281674437, "aff_pf": -1.149527867635091, "aff_hs": -0.10244132578372955, "repeats_pf": {"runs": 3, "values": [-1.1368, -1.1524, -1.1593], "mean": -1.1495, "spread": 0.0225}, "repeats_hs": {"runs": 3, "values": [-0.0644, -0.088, -0.155], "mean": -0.1024, "spread": 0.0906}, "at": 1789329265}, "tier": 1, "alerts": [], "total_sd": 0.204, "total_ci95": [55.698, 56.45], "relegate_reason": [], "submitted_at": 1789320799, "scored_at": 1789329265, "rank": 1306}, {"candidate_id": "ODC-4A3029", "res_at": 1788559098, "skeleton": "MUESWXRHZQBART", "hf_user": "1Dmeds", "display_name": "ODC26-S1D10", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 56.074, "axes": {"activity": 14.32, "binding": 17.3, "selectivity": 10.42, "admet": 4.81, "novelty": 6.23, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 7.61, "LE": 0.298, "potency_term": 0.871, "efficiency_cap": 0.993}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.344, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.6, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.643, "herg": 0.05, "dili": 0.154}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 5.458971573831465, "aff_pf": -1.6124211549758911, "aff_hs": -0.41560134291648865, "repeats_pf": {"runs": 3, "values": [-1.6507, -1.5553, -1.6312], "mean": -1.6124, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [-0.4787, -0.3369, -0.4313], "mean": -0.4156, "spread": 0.1418}, "at": 1788559098}, "tier": 1, "alerts": [], "total_sd": 0.73, "total_ci95": [54.712, 57.323], "relegate_reason": [], "submitted_at": 1788555419, "scored_at": 1788559098, "rank": 1307}, {"candidate_id": "ODC-388177", "res_at": 1789958077, "skeleton": "RUSXEQZDWUCZEO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[S@](=··········)n2n1", "total": 56.072, "axes": {"activity": 12.03, "binding": 17.59, "selectivity": 11.17, "admet": 6.83, "novelty": 5.69, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.88, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.507, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.539, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "2", "pAct_q10": 5.321851685655085, "aff_pf": -1.6386666695276897, "aff_hs": -0.36922598878542584, "repeats_pf": {"runs": 3, "values": [-1.6467, -1.5641, -1.7052], "mean": -1.6387, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [-0.3864, -0.3904, -0.3308], "mean": -0.3692, "spread": 0.0596}, "at": 1789958077}, "tier": 1, "alerts": [], "total_sd": 0.888, "total_ci95": [54.698, 57.795], "relegate_reason": [], "submitted_at": 1789876151, "scored_at": 1789958077, "rank": 1308}, {"candidate_id": "ODC-107270", "res_at": 1788228470, "skeleton": "KWNNITNMGFZZHF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-Y12", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 56.06, "axes": {"activity": 30.0, "binding": 5.74, "selectivity": 4.06, "admet": 5.03, "novelty": 7.27, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.455, "fraction": 1.0}, "binding": {"pIC50": 6.16, "LE": 0.222, "potency_term": 0.388, "efficiency_cap": 0.741}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.388}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.726, "herg": 0.514, "dili": 0.107}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.455167079460643, "aff_pf": -0.16251874715089798, "aff_hs": 0.8852066993713379, "repeats_pf": {"runs": 3, "values": [-0.1462, -0.0771, -0.2642], "mean": -0.1625, "spread": 0.1871}, "repeats_hs": {"runs": 3, "values": [0.9422, 1.0085, 0.705], "mean": 0.8852, "spread": 0.3035}, "at": 1788228470}, "tier": 1, "alerts": [], "total_sd": 0.66, "total_ci95": [54.96, 57.449], "relegate_reason": [], "submitted_at": 1788165823, "scored_at": 1788228470, "rank": 1309}, {"candidate_id": "ODC-6FA07C", "res_at": 1787516692, "skeleton": "KOKIPFDBGZZRKP", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SUP02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 56.056, "axes": {"activity": 17.49, "binding": 17.66, "selectivity": 8.11, "admet": 4.73, "novelty": 4.41, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.649, "fraction": 0.583}, "binding": {"pIC50": 7.65, "LE": 0.403, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.3, "ld50-zhu": 0.603, "herg": 0.306, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.649350796016937, "aff_pf": -1.64873210589091, "aff_hs": -0.7298086682955424, "repeats_pf": {"runs": 3, "values": [-1.594, -1.6974, -1.6548], "mean": -1.6487, "spread": 0.1034}, "repeats_hs": {"runs": 3, "values": [-1.0989, -0.474, -0.6164], "mean": -0.7298, "spread": 0.6249}, "at": 1787516692}, "tier": 1, "relegate_reason": [], "submitted_at": 1787516331, "scored_at": 1787516692, "alerts": [], "rank": 1310}, {"candidate_id": "ODC-FD07F9", "res_at": 1787026232, "skeleton": "PYCWFFKKTMSIIK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.023, "axes": {"activity": 15.43, "binding": 16.27, "selectivity": 11.33, "admet": 4.8, "novelty": 4.55, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.526, "fraction": 0.514}, "binding": {"pIC50": 7.44, "LE": 0.443, "potency_term": 0.814, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.7, "selectivity_term": 0.697, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.525516822693002, "aff_pf": -1.44050133228302, "aff_hs": -0.04720542083183924, "repeats_pf": {"runs": 3, "values": [-1.4242, -1.454, -1.4433], "mean": -1.4405, "spread": 0.0298}, "repeats_hs": {"runs": 3, "values": [0.0942, -0.1251, -0.1107], "mean": -0.0472, "spread": 0.2193}, "at": 1787026232}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025178, "scored_at": 1787026232, "alerts": [], "rank": 1311}, {"candidate_id": "ODC-2D64A5", "res_at": 1789334083, "skeleton": "WKVJHEOMNCFCAS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 56.005, "axes": {"activity": 16.35, "binding": 14.86, "selectivity": 13.49, "admet": 4.56, "novelty": 3.52, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.581, "fraction": 0.545}, "binding": {"pIC50": 7.23, "LE": 0.45, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 65.4, "selectivity_term": 0.908, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.45, "herg": 0.477, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.580799880449884, "aff_pf": -1.2297425667444866, "aff_hs": 0.5855277180671692, "repeats_pf": {"runs": 3, "values": [-1.2308, -1.1806, -1.2778], "mean": -1.2297, "spread": 0.0972}, "repeats_hs": {"runs": 3, "values": [0.597, 0.5709, 0.5886], "mean": 0.5855, "spread": 0.0261}, "at": 1789334083}, "tier": 1, "alerts": [], "total_sd": 0.595, "total_ci95": [54.753, 57.224], "relegate_reason": [], "submitted_at": 1789323065, "scored_at": 1789334083, "rank": 1312}, {"candidate_id": "ODC-08A7EB", "res_at": 1789901665, "skeleton": "QDEBRKZSVLYLDA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 55.999, "axes": {"activity": 18.54, "binding": 18.07, "selectivity": 4.71, "admet": 5.66, "novelty": 5.57, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.712, "fraction": 0.618}, "binding": {"pIC50": 7.71, "LE": 0.391, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.487, "herg": 0.265, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "2", "pAct_q10": 5.71214636244671, "aff_pf": -1.711148738861084, "aff_hs": -1.1895898183186848, "repeats_pf": {"runs": 3, "values": [-1.7514, -1.691, -1.691], "mean": -1.7111, "spread": 0.0604}, "repeats_hs": {"runs": 3, "values": [-1.1682, -1.1816, -1.2189], "mean": -1.1896, "spread": 0.0507}, "at": 1789901665}, "tier": 1, "alerts": [], "total_sd": 0.366, "total_ci95": [55.388, 56.614], "relegate_reason": [], "submitted_at": 1789758203, "scored_at": 1789901665, "rank": 1313}, {"candidate_id": "ODC-01FE88", "res_at": 1787225667, "skeleton": "KAOQTSPWMLJCKO", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.997, "axes": {"activity": 12.06, "binding": 17.79, "selectivity": 12.76, "admet": 5.16, "novelty": 4.45, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.323, "fraction": 0.402}, "binding": {"pIC50": 7.67, "LE": 0.42, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.2, "selectivity_term": 0.717, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.855, "ld50-zhu": 0.654, "herg": 0.19, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.323320018303285, "aff_pf": -1.669113000233968, "aff_hs": -0.23439442118008932, "repeats_pf": {"runs": 3, "values": [-1.6767, -1.6299, -1.7008], "mean": -1.6691, "spread": 0.0709}, "repeats_hs": {"runs": 3, "values": [-0.384, -0.1962, -0.1229], "mean": -0.2344, "spread": 0.2611}, "at": 1787225667}, "tier": 1, "relegate_reason": [], "submitted_at": 1787222170, "scored_at": 1787225667, "alerts": [], "rank": 1314}, {"candidate_id": "ODC-268795", "res_at": 1787220768, "skeleton": "VXBUKTBGWMJVHJ", "hf_user": "takutoyo", "display_name": "PfD9-A2", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1nc··········2)c1F", "total": 55.988, "axes": {"activity": 19.29, "binding": 14.78, "selectivity": 9.3, "admet": 4.64, "novelty": 5.17, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.757, "fraction": 0.643}, "binding": {"pIC50": 7.22, "LE": 0.396, "potency_term": 0.739, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.293, "ld50-zhu": 0.427, "herg": 0.778, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.757324180428552, "aff_pf": -1.2171615362167358, "aff_hs": 0.0408323605855306, "repeats_pf": {"runs": 3, "values": [-1.1824, -1.1634, -1.3056], "mean": -1.2172, "spread": 0.1422}, "repeats_hs": {"runs": 3, "values": [0.1489, 0.1428, -0.1693], "mean": 0.0408, "spread": 0.3182}, "at": 1787220768}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218606, "scored_at": 1787220768, "alerts": [], "rank": 1315}, {"candidate_id": "ODC-2D2EC0", "res_at": 1787654410, "skeleton": "FCEAPGCHLOIGTR", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.978, "axes": {"activity": 28.75, "binding": 7.32, "selectivity": 2.66, "admet": 8.32, "novelty": 7.24, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 6.325, "fraction": 0.958}, "binding": {"pIC50": 6.2, "LE": 0.274, "potency_term": 0.401, "efficiency_cap": 0.914}, "selectivity": {"fold": 4.6, "selectivity_term": 0.332, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 0.86, "pgp-broccatelli": 0.786, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.788, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 4.76}}, "run": {"gpu": "3", "pAct_q10": 6.325163107230886, "aff_pf": -0.20153062542279562, "aff_hs": 0.462595800558726, "repeats_pf": {"runs": 3, "values": [-0.1921, -0.2087, -0.2038], "mean": -0.2015, "spread": 0.0167}, "repeats_hs": {"runs": 3, "values": [0.5581, 0.4329, 0.3968], "mean": 0.4626, "spread": 0.1614}, "at": 1787654410}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648096, "scored_at": 1787654410, "alerts": [], "rank": 1316}, {"candidate_id": "ODC-1A97BE", "res_at": 1787243053, "skeleton": "DAOXQOSMFZRPQT", "hf_user": "Ku-ku", "display_name": "N10_5Br_4Br", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 55.973, "axes": {"activity": 24.18, "binding": 11.27, "selectivity": 6.65, "admet": 5.68, "novelty": 4.6, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.051, "fraction": 0.806}, "binding": {"pIC50": 6.69, "LE": 0.417, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.2, "selectivity_term": 0.59, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.331, "herg": 0.861, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 6.050519708252316, "aff_pf": -0.6910881598790487, "aff_hs": 0.4894724090894063, "repeats_pf": {"runs": 3, "values": [-0.8924, -0.5436, -0.6373], "mean": -0.6911, "spread": 0.3488}, "repeats_hs": {"runs": 3, "values": [0.5513, 0.5183, 0.3988], "mean": 0.4895, "spread": 0.1525}, "at": 1787243053}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238157, "scored_at": 1787243053, "alerts": [], "rank": 1317}, {"candidate_id": "ODC-A951B1", "res_at": 1787122432, "skeleton": "VCVAXLQDCWUXMX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 55.973, "axes": {"activity": 22.77, "binding": 15.54, "selectivity": 4.7, "admet": 5.09, "novelty": 4.78, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.966, "fraction": 0.759}, "binding": {"pIC50": 7.33, "LE": 0.372, "potency_term": 0.777, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.485, "herg": 0.197, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.965952288888209, "aff_pf": -1.3310330311457317, "aff_hs": -0.7264771064122518, "repeats_pf": {"runs": 3, "values": [-1.3379, -1.3458, -1.3093], "mean": -1.331, "spread": 0.0365}, "repeats_hs": {"runs": 3, "values": [-0.6045, -0.9128, -0.6621], "mean": -0.7265, "spread": 0.3083}, "at": 1787122432}, "tier": 1, "relegate_reason": [], "submitted_at": 1787104294, "scored_at": 1787122432, "alerts": [], "rank": 1318}, {"candidate_id": "ODC-503D00", "res_at": 1787718630, "skeleton": "BWUKMJKHSYLJNP", "hf_user": "1Dmeds", "display_name": "ODC26-R2-08-SCCC", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 55.965, "axes": {"activity": 17.85, "binding": 18.12, "selectivity": 5.97, "admet": 4.05, "novelty": 6.15, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.671, "fraction": 0.595}, "binding": {"pIC50": 7.72, "LE": 0.302, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.377, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.653, "herg": 0.066, "dili": 0.327}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.671182964926787, "aff_pf": -1.7175761063893635, "aff_hs": -1.0580941239992778, "repeats_pf": {"runs": 3, "values": [-1.6631, -1.7339, -1.7557], "mean": -1.7176, "spread": 0.0926}, "repeats_hs": {"runs": 3, "values": [-1.3504, -1.0897, -0.7342], "mean": -1.0581, "spread": 0.6161}, "at": 1787718630}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717385, "scored_at": 1787718630, "alerts": [], "rank": 1319}, {"candidate_id": "ODC-78030C", "res_at": 1787033167, "skeleton": "WEJPVEHZZWDDMK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 55.951, "axes": {"activity": 19.71, "binding": 16.28, "selectivity": 6.93, "admet": 4.85, "novelty": 4.91, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.657}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.814, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.426, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.733, "ld50-zhu": 0.3, "herg": 0.793, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.782484828448965, "aff_pf": -1.442090630531311, "aff_hs": -0.5901854832967123, "repeats_pf": {"runs": 3, "values": [-1.4575, -1.4281, -1.4407], "mean": -1.4421, "spread": 0.0294}, "repeats_hs": {"runs": 3, "values": [-0.5159, -0.6415, -0.6132], "mean": -0.5902, "spread": 0.1257}, "at": 1787033167}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030818, "scored_at": 1787033167, "alerts": [], "rank": 1320}, {"candidate_id": "ODC-050A9C", "res_at": 1788009272, "skeleton": "YENCPMIWDBIIOW", "hf_user": "Ku-ku", "display_name": "KK-M-0829-105", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········)CCC2", "total": 55.941, "axes": {"activity": 24.15, "binding": 16.02, "selectivity": 3.37, "admet": 3.43, "novelty": 6.06, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 6.049, "fraction": 0.805}, "binding": {"pIC50": 7.4, "LE": 0.376, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.854, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.36, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "0", "pAct_q10": 6.048915697912843, "aff_pf": -1.4034584363301594, "aff_hs": -0.9823283354441324, "repeats_pf": {"runs": 3, "values": [-1.4401, -1.3618, -1.4085], "mean": -1.4035, "spread": 0.0783}, "repeats_hs": {"runs": 3, "values": [-0.9592, -0.9542, -1.0336], "mean": -0.9823, "spread": 0.0794}, "at": 1788009272}, "tier": 1, "alerts": [], "total_sd": 0.363, "total_ci95": [55.283, 56.677], "relegate_reason": [], "submitted_at": 1787989520, "scored_at": 1788009272, "rank": 1321}, {"candidate_id": "ODC-EAB29D", "res_at": 1786842260, "skeleton": "XRIGNYPDOFROOK", "hf_user": "Jt1004", "display_name": "Jt1004", "model_name": "OpenAI GPT-5.6 Sol + ODC Decision Graph", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.929, "axes": {"activity": 11.45, "binding": 17.46, "selectivity": 14.17, "admet": 6.26, "novelty": 2.74, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 7.62, "LE": 0.435, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.9, "selectivity_term": 0.811, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.635, "cyp3a4-substrate-carbonmangels": 0.251, "ld50-zhu": 0.239, "herg": 0.531, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "1", "pAct_q10": 5.2867022648851, "aff_pf": -1.6191235780715942, "aff_hs": 0.0035704225301742554, "repeats_pf": {"runs": 3, "values": [-1.5759, -1.6343, -1.6472], "mean": -1.6191, "spread": 0.0713}, "repeats_hs": {"runs": 3, "values": [-0.0369, 0.0792, -0.0316], "mean": 0.0036, "spread": 0.116}, "at": 1786842260}, "tier": 1, "relegate_reason": [], "submitted_at": 1786809898, "scored_at": 1786842260, "alerts": [], "rank": 1322}, {"candidate_id": "ODC-D54E45", "res_at": 1789619805, "skeleton": "BXWPDRFOTLWORA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.918, "axes": {"activity": 16.44, "binding": 15.62, "selectivity": 11.39, "admet": 4.91, "novelty": 4.21, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.8, "selectivity_term": 0.729, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.548, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.586229189835718, "aff_pf": -1.3425106207529705, "aff_hs": 0.11614105105400085, "repeats_pf": {"runs": 3, "values": [-1.3525, -1.306, -1.3691], "mean": -1.3425, "spread": 0.0631}, "repeats_hs": {"runs": 3, "values": [0.2666, -0.017, 0.0988], "mean": 0.1161, "spread": 0.2835}, "at": 1789619805}, "tier": 1, "alerts": [], "total_sd": 0.595, "total_ci95": [54.67, 57.093], "relegate_reason": [], "submitted_at": 1789618700, "scored_at": 1789619805, "rank": 1323}, {"candidate_id": "ODC-EE6C5B", "res_at": 1787242853, "skeleton": "JVSYTACAEKITPF", "hf_user": "Ku-ku", "display_name": "N6_5cPr", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 55.914, "axes": {"activity": 23.24, "binding": 13.14, "selectivity": 6.78, "admet": 4.73, "novelty": 4.57, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.994, "fraction": 0.775}, "binding": {"pIC50": 6.97, "LE": 0.398, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.516, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.578, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.994390524496279, "aff_pf": -0.9704744617144266, "aff_hs": 0.061803837617238365, "repeats_pf": {"runs": 3, "values": [-0.8468, -1.1273, -0.9373], "mean": -0.9705, "spread": 0.2805}, "repeats_hs": {"runs": 3, "values": [-0.158, 0.1991, 0.1443], "mean": 0.0618, "spread": 0.3571}, "at": 1787242853}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238153, "scored_at": 1787242853, "alerts": [], "rank": 1324}, {"candidate_id": "ODC-E21CDB", "res_at": 1786798514, "skeleton": "NOUCTWGGGHTCJY", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.89, "axes": {"activity": 11.7, "binding": 17.59, "selectivity": 13.72, "admet": 6.12, "novelty": 2.38, "synthesis": 4.37}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 7.64, "LE": 0.498, "potency_term": 0.879, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.4, "selectivity_term": 0.78, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.912, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.373, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.342, "herg": 0.603, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 5.302161785483958, "aff_pf": -1.6382919947306316, "aff_hs": -0.07766527185837428, "repeats_pf": {"runs": 3, "values": [-1.6483, -1.6422, -1.6244], "mean": -1.6383, "spread": 0.0238}, "repeats_hs": {"runs": 3, "values": [-0.1046, 0.0838, -0.2122], "mean": -0.0777, "spread": 0.296}, "at": 1786798514}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785093, "scored_at": 1786798514, "alerts": [], "rank": 1325}, {"candidate_id": "ODC-AD1FCB", "res_at": 1787730741, "skeleton": "VVBOJKROAJDQJS", "hf_user": "Bio-JS", "display_name": "C 팔 설폰 -> 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 55.889, "axes": {"activity": 18.01, "binding": 16.72, "selectivity": 8.66, "admet": 3.59, "novelty": 5.72, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.681, "fraction": 0.6}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.867, "efficiency_cap": 0.964}, "selectivity": {"fold": 10.0, "selectivity_term": 0.5, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.344, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.219}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.680608373824364, "aff_pf": -1.601481040318807, "aff_hs": -0.6024457414944967, "repeats_pf": {"runs": 3, "values": [-1.5988, -1.5796, -1.626], "mean": -1.6015, "spread": 0.0465}, "repeats_hs": {"runs": 3, "values": [-0.6879, -0.4375, -0.682], "mean": -0.6024, "spread": 0.2504}, "at": 1787730741}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726663, "scored_at": 1787730741, "alerts": [], "rank": 1326}, {"candidate_id": "ODC-6221EF", "res_at": 1788437234, "skeleton": "PUIOIZKNWPJJTD", "hf_user": "Bio-JS", "display_name": "0903-S1-22 oCN_mF/cPr/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 55.868, "axes": {"activity": 20.17, "binding": 14.91, "selectivity": 10.27, "admet": 2.9, "novelty": 5.46, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.81, "fraction": 0.672}, "binding": {"pIC50": 7.49, "LE": 0.27, "potency_term": 0.829, "efficiency_cap": 0.9}, "selectivity": {"fold": 17.3, "selectivity_term": 0.62, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.395, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.303}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.98}}, "run": {"gpu": "0", "pAct_q10": 5.810240287397926, "aff_pf": -1.4862219492594402, "aff_hs": -0.2470571349064509, "repeats_pf": {"runs": 3, "values": [-1.5841, -1.3524, -1.5222], "mean": -1.4862, "spread": 0.2317}, "repeats_hs": {"runs": 3, "values": [-0.3055, -0.2381, -0.1976], "mean": -0.2471, "spread": 0.1079}, "at": 1788437234}, "tier": 1, "alerts": [], "total_sd": 1.516, "total_ci95": [52.291, 58.462], "relegate_reason": [], "submitted_at": 1788362852, "scored_at": 1788437234, "rank": 1327}, {"candidate_id": "ODC-C8BF3D", "res_at": 1786980829, "skeleton": "PLABCXOENGWFHY", "hf_user": "ipsych", "display_name": "TPV-ethynyl5-SMe-4CF3-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 55.867, "axes": {"activity": 15.66, "binding": 17.54, "selectivity": 9.52, "admet": 4.9, "novelty": 4.74, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 7.63, "LE": 0.418, "potency_term": 0.877, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.669, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.657, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.539488397044864, "aff_pf": -1.6308435996373494, "aff_hs": -0.5450488924980164, "repeats_pf": {"runs": 3, "values": [-1.6317, -1.5913, -1.6696], "mean": -1.6308, "spread": 0.0783}, "repeats_hs": {"runs": 3, "values": [-0.6283, -0.4361, -0.5707], "mean": -0.545, "spread": 0.1923}, "at": 1786980829}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977358, "scored_at": 1786980829, "alerts": [], "rank": 1328}, {"candidate_id": "ODC-AF357E", "res_at": 1787871757, "skeleton": "VAJLHEXGAVXBBB", "hf_user": "Moonweave", "display_name": "M5AI-F12-PRP-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 55.853, "axes": {"activity": 15.61, "binding": 19.77, "selectivity": 6.28, "admet": 3.64, "novelty": 6.12, "synthesis": 4.43}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.52}, "binding": {"pIC50": 7.96, "LE": 0.352, "potency_term": 0.988, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.988}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.454}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.536711272296504, "aff_pf": -1.9648735523223877, "aff_hs": -1.3290984233220418, "repeats_pf": {"runs": 3, "values": [-1.9505, -1.9439, -2.0002], "mean": -1.9649, "spread": 0.0563}, "repeats_hs": {"runs": 3, "values": [-1.262, -1.4676, -1.2577], "mean": -1.3291, "spread": 0.2099}, "at": 1787844106}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791006, "scored_at": 1787844106, "alerts": [], "rank": 1329}, {"candidate_id": "ODC-E06D84", "res_at": 1789620837, "skeleton": "KIGANXARBFKROH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.812, "axes": {"activity": 16.37, "binding": 18.04, "selectivity": 7.34, "admet": 5.4, "novelty": 4.8, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.582, "fraction": 0.546}, "binding": {"pIC50": 7.71, "LE": 0.422, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.356, "ld50-zhu": 0.526, "herg": 0.136, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.582326689694576, "aff_pf": -1.7058724562327068, "aff_hs": -0.8926172256469727, "repeats_pf": {"runs": 3, "values": [-1.7328, -1.8184, -1.5664], "mean": -1.7059, "spread": 0.252}, "repeats_hs": {"runs": 3, "values": [-1.1079, -0.7141, -0.8558], "mean": -0.8926, "spread": 0.3938}, "at": 1789620837}, "tier": 1, "alerts": [], "total_sd": 1.724, "total_ci95": [51.867, 59.038], "relegate_reason": [], "submitted_at": 1789618858, "scored_at": 1789620837, "rank": 1330}, {"candidate_id": "ODC-E35BAA", "res_at": 1787520889, "skeleton": "APCWHLJYBDUIPC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 55.806, "axes": {"activity": 26.85, "binding": 9.55, "selectivity": 2.87, "admet": 6.99, "novelty": 6.18, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 6.211, "fraction": 0.895}, "binding": {"pIC50": 6.43, "LE": 0.326, "potency_term": 0.478, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.87, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.633, "herg": 0.346, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 6.211104731687976, "aff_pf": -0.4327121376991272, "aff_hs": 0.16913492729266486, "repeats_pf": {"runs": 3, "values": [-0.3869, -0.4239, -0.4873], "mean": -0.4327, "spread": 0.1004}, "repeats_hs": {"runs": 3, "values": [0.2211, 0.1653, 0.121], "mean": 0.1691, "spread": 0.1001}, "at": 1787520889}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520493, "scored_at": 1787520889, "alerts": [], "rank": 1331}, {"candidate_id": "ODC-CCDD60", "res_at": 1786789657, "skeleton": "AOQMTUFCQSMEAG", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.796, "axes": {"activity": 15.19, "binding": 17.1, "selectivity": 10.67, "admet": 5.95, "novelty": 2.67, "synthesis": 4.21}, "detail": {"activity": {"pAct_q10": 5.512, "fraction": 0.506}, "binding": {"pIC50": 7.56, "LE": 0.493, "potency_term": 0.855, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.436, "ld50-zhu": 0.368, "herg": 0.186, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.511650044584272, "aff_pf": -1.564342459042867, "aff_hs": -0.315821240345637, "repeats_pf": {"runs": 3, "values": [-1.5579, -1.5884, -1.5468], "mean": -1.5643, "spread": 0.0415}, "repeats_hs": {"runs": 3, "values": [-0.2513, -0.3528, -0.3434], "mean": -0.3158, "spread": 0.1015}, "at": 1786789657}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781221, "scored_at": 1786789657, "alerts": [], "rank": 1332}, {"candidate_id": "ODC-86FB61", "res_at": 1786912449, "skeleton": "ALMIHQILHHFLJN", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.786, "axes": {"activity": 19.06, "binding": 17.38, "selectivity": 7.59, "admet": 4.22, "novelty": 3.6, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.635}, "binding": {"pIC50": 7.61, "LE": 0.401, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.437, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.069, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.556, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.7438577480411315, "aff_pf": -1.6074533462524414, "aff_hs": -0.7341669897238413, "repeats_pf": {"runs": 3, "values": [-1.5714, -1.6232, -1.6278], "mean": -1.6075, "spread": 0.0563}, "repeats_hs": {"runs": 3, "values": [-0.9406, -0.7696, -0.4923], "mean": -0.7342, "spread": 0.4482}, "at": 1786912449}, "tier": 1, "relegate_reason": [], "submitted_at": 1786912247, "scored_at": 1786912449, "alerts": [], "rank": 1333}, {"candidate_id": "ODC-B54AC2", "res_at": 1789623671, "skeleton": "SXEBCDMCXOCJKS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.784, "axes": {"activity": 19.09, "binding": 17.52, "selectivity": 5.69, "admet": 5.85, "novelty": 4.38, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.745, "fraction": 0.636}, "binding": {"pIC50": 7.63, "LE": 0.418, "potency_term": 0.876, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.404, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.316, "herg": 0.232, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 5.745264619823481, "aff_pf": -1.6286589701970418, "aff_hs": -0.9793713291486105, "repeats_pf": {"runs": 3, "values": [-1.5703, -1.6466, -1.6691], "mean": -1.6287, "spread": 0.0988}, "repeats_hs": {"runs": 3, "values": [-1.0938, -1.1394, -0.7049], "mean": -0.9794, "spread": 0.4345}, "at": 1789623671}, "tier": 1, "alerts": [], "total_sd": 1.016, "total_ci95": [53.654, 57.686], "relegate_reason": [], "submitted_at": 1789619317, "scored_at": 1789623671, "rank": 1334}, {"candidate_id": "ODC-3E62D4", "res_at": 1788487151, "skeleton": "HQORDZBBBBHLTQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R162-17", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 55.76, "axes": {"activity": 20.51, "binding": 13.37, "selectivity": 11.45, "admet": 2.96, "novelty": 4.73, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.831, "fraction": 0.684}, "binding": {"pIC50": 7.2, "LE": 0.274, "potency_term": 0.732, "efficiency_cap": 0.913}, "selectivity": {"fold": 36.6, "selectivity_term": 0.782, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.331, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.597, "herg": 0.05, "dili": 0.187}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.830705732109723, "aff_pf": -1.1969304084777832, "aff_hs": 0.3664888044198354, "repeats_pf": {"runs": 3, "values": [-1.0893, -1.2369, -1.2646], "mean": -1.1969, "spread": 0.1752}, "repeats_hs": {"runs": 3, "values": [0.344, 0.3764, 0.3791], "mean": 0.3665, "spread": 0.0351}, "at": 1788487151}, "tier": 1, "alerts": [], "total_sd": 0.963, "total_ci95": [53.604, 57.34], "relegate_reason": [], "submitted_at": 1788419648, "scored_at": 1788487151, "rank": 1335}, {"candidate_id": "ODC-C66067", "res_at": 1787082403, "skeleton": "FULGUTUCAAFBST", "hf_user": "1Dmeds", "display_name": "ODC26-MB-14", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.751, "axes": {"activity": 19.9, "binding": 16.44, "selectivity": 7.11, "admet": 5.48, "novelty": 2.89, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.663}, "binding": {"pIC50": 7.47, "LE": 0.445, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.433, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.307, "herg": 0.632, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.7940845187979075, "aff_pf": -1.4661365350087483, "aff_hs": -0.6011253992716471, "repeats_pf": {"runs": 3, "values": [-1.3606, -1.4908, -1.5469], "mean": -1.4661, "spread": 0.1863}, "repeats_hs": {"runs": 3, "values": [-0.6635, -0.5946, -0.5452], "mean": -0.6011, "spread": 0.1183}, "at": 1787082403}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069678, "scored_at": 1787082403, "alerts": [], "rank": 1336}, {"candidate_id": "ODC-1DAAB4", "res_at": 1787033535, "skeleton": "BONVSHZQKBWJEN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.743, "axes": {"activity": 20.82, "binding": 15.3, "selectivity": 8.52, "admet": 5.13, "novelty": 2.34, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.849, "fraction": 0.694}, "binding": {"pIC50": 7.29, "LE": 0.435, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.0, "selectivity_term": 0.557, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.2, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.303, "herg": 0.665, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.849365898954495, "aff_pf": -1.2947428226470947, "aff_hs": -0.18101751059293747, "repeats_pf": {"runs": 3, "values": [-1.2632, -1.2772, -1.3438], "mean": -1.2947, "spread": 0.0805}, "repeats_hs": {"runs": 3, "values": [0.0308, -0.5784, 0.0045], "mean": -0.181, "spread": 0.6093}, "at": 1787033535}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030828, "scored_at": 1787033535, "alerts": [], "rank": 1337}, {"candidate_id": "ODC-7B5415", "res_at": 1789884756, "skeleton": "PPSCVMUOJMPKJC", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 55.726, "axes": {"activity": 23.13, "binding": 15.47, "selectivity": 5.28, "admet": 3.87, "novelty": 4.78, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.988, "fraction": 0.771}, "binding": {"pIC50": 7.32, "LE": 0.371, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.341, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.426, "herg": 0.168, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.987998008220527, "aff_pf": -1.3206116755803425, "aff_hs": -0.6383793552716573, "repeats_pf": {"runs": 3, "values": [-1.2413, -1.3327, -1.3878], "mean": -1.3206, "spread": 0.1465}, "repeats_hs": {"runs": 3, "values": [-0.652, -0.6092, -0.6539], "mean": -0.6384, "spread": 0.0447}, "at": 1789884756}, "tier": 1, "alerts": [], "total_sd": 0.699, "total_ci95": [54.382, 57.204], "relegate_reason": [], "submitted_at": 1789657792, "scored_at": 1789884756, "rank": 1338}, {"candidate_id": "ODC-DA1978", "res_at": 1787569924, "skeleton": "LSUGEBRHOVKNET", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.715, "axes": {"activity": 29.11, "binding": 9.3, "selectivity": 0.0, "admet": 8.36, "novelty": 7.61, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 6.346, "fraction": 0.97}, "binding": {"pIC50": 6.43, "LE": 0.293, "potency_term": 0.476, "efficiency_cap": 0.978}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.801, "cyp2c9-veith": 0.963, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.972, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.216, "novelty": 0.784}, "synthesis": {"sa_score": 5.04}}, "run": {"gpu": "3", "pAct_q10": 6.3464189493148195, "aff_pf": -0.4266342719395955, "aff_hs": -0.9202179114023844, "repeats_pf": {"runs": 3, "values": [-0.3721, -0.4571, -0.4507], "mean": -0.4266, "spread": 0.085}, "repeats_hs": {"runs": 3, "values": [-0.965, -0.875, -0.9207], "mean": -0.9202, "spread": 0.09}, "at": 1787569924}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566963, "scored_at": 1787569924, "alerts": [], "rank": 1339}, {"candidate_id": "ODC-088DDD", "res_at": 1788139992, "skeleton": "PAVHLJQQTYBPAQ", "hf_user": "Bio-JS", "display_name": "K3 코어호핑 트라이아졸로트라이아진(N 추가)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········nc2n1", "total": 55.713, "axes": {"activity": 24.06, "binding": 13.58, "selectivity": 2.96, "admet": 6.19, "novelty": 5.39, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 6.044, "fraction": 0.802}, "binding": {"pIC50": 7.04, "LE": 0.419, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.218, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.436, "cyp3a4-substrate-carbonmangels": 0.493, "ld50-zhu": 0.392, "herg": 0.764, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 6.043659625516893, "aff_pf": -1.0376582940419514, "aff_hs": -0.6013565063476562, "repeats_pf": {"runs": 3, "values": [-1.0834, -0.9767, -1.0528], "mean": -1.0377, "spread": 0.1067}, "repeats_hs": {"runs": 3, "values": [-0.6457, -0.5691, -0.5893], "mean": -0.6014, "spread": 0.0766}, "at": 1788139992}, "tier": 1, "alerts": [], "total_sd": 0.395, "total_ci95": [54.89, 56.424], "relegate_reason": [], "submitted_at": 1788139217, "scored_at": 1788139992, "rank": 1340}, {"candidate_id": "ODC-42F1AF", "res_at": 1787151837, "skeleton": "NIWSQUCYJABQDX", "hf_user": "Ku-ku", "display_name": "M04_5Cl_SMe_Br3Cl", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.712, "axes": {"activity": 13.96, "binding": 16.83, "selectivity": 12.1, "admet": 5.37, "novelty": 3.56, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.438, "fraction": 0.465}, "binding": {"pIC50": 7.52, "LE": 0.491, "potency_term": 0.841, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.4, "selectivity_term": 0.719, "target_engagement": 0.841}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.751, "ld50-zhu": 0.392, "herg": 0.31, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.437759547802008, "aff_pf": -1.5239495833714802, "aff_hs": -0.08613652487595876, "repeats_pf": {"runs": 3, "values": [-1.5131, -1.5095, -1.5493], "mean": -1.5239, "spread": 0.0398}, "repeats_hs": {"runs": 3, "values": [-0.0958, -0.1746, 0.012], "mean": -0.0861, "spread": 0.1866}, "at": 1787151837}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148014, "scored_at": 1787151837, "alerts": [], "rank": 1341}, {"candidate_id": "ODC-EA41C0", "res_at": 1787154222, "skeleton": "XYSBAJUTPGGZSI", "hf_user": "Ku-ku", "display_name": "M23_5F_SMe_4I3F", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.708, "axes": {"activity": 14.03, "binding": 16.29, "selectivity": 11.42, "admet": 6.52, "novelty": 3.92, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 7.44, "LE": 0.486, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.2, "selectivity_term": 0.701, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.431, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.44166324158388, "aff_pf": -1.4442464510599773, "aff_hs": -0.042348384857177734, "repeats_pf": {"runs": 3, "values": [-1.3791, -1.4315, -1.5221], "mean": -1.4442, "spread": 0.143}, "repeats_hs": {"runs": 3, "values": [-0.0877, -0.0152, -0.0242], "mean": -0.0423, "spread": 0.0725}, "at": 1787154222}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148042, "scored_at": 1787154222, "alerts": [], "rank": 1342}, {"candidate_id": "ODC-4A519D", "res_at": 1786863297, "skeleton": "VSJVHESVUZVAEE", "hf_user": "choa712", "display_name": "CODEX-R1-03", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.676, "axes": {"activity": 9.13, "binding": 17.19, "selectivity": 15.31, "admet": 6.36, "novelty": 3.98, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 7.58, "LE": 0.451, "potency_term": 0.859, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.4, "selectivity_term": 0.891, "target_engagement": 0.859}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.469, "ld50-zhu": 0.42, "herg": 0.619, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.147707893652371, "aff_pf": -1.578379233678182, "aff_hs": 0.2026651700337728, "repeats_pf": {"runs": 3, "values": [-1.5395, -1.6029, -1.5928], "mean": -1.5784, "spread": 0.0634}, "repeats_hs": {"runs": 3, "values": [0.1357, 0.1697, 0.3026], "mean": 0.2027, "spread": 0.167}, "at": 1786863297}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854790, "scored_at": 1786863297, "alerts": [], "rank": 1343}, {"candidate_id": "ODC-372CF4", "res_at": 1787223600, "skeleton": "HQWISACZYOLDBP", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········)cc1F", "total": 55.669, "axes": {"activity": 25.72, "binding": 12.28, "selectivity": 4.11, "admet": 4.62, "novelty": 5.4, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.143, "fraction": 0.857}, "binding": {"pIC50": 6.84, "LE": 0.347, "potency_term": 0.614, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.434, "herg": 0.228, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.143298271111368, "aff_pf": -0.8415093421936035, "aff_hs": -0.17130950589974722, "repeats_pf": {"runs": 3, "values": [-0.8999, -0.8155, -0.8091], "mean": -0.8415, "spread": 0.0908}, "repeats_hs": {"runs": 3, "values": [-0.219, -0.2059, -0.089], "mean": -0.1713, "spread": 0.1299}, "at": 1787223600}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220794, "scored_at": 1787223600, "alerts": [], "rank": 1344}, {"candidate_id": "ODC-C3F141", "res_at": 1787654991, "skeleton": "DOICEWAOCAHHCM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COC(C)C··········F)CC1", "total": 55.647, "axes": {"activity": 29.74, "binding": 8.32, "selectivity": 0.0, "admet": 8.27, "novelty": 7.77, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 6.384, "fraction": 0.991}, "binding": {"pIC50": 6.3, "LE": 0.288, "potency_term": 0.434, "efficiency_cap": 0.959}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.434}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.806, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.815, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.216, "novelty": 0.784}, "synthesis": {"sa_score": 4.91}}, "run": {"gpu": "3", "pAct_q10": 6.3842053511788475, "aff_pf": -0.3014537990093231, "aff_hs": -0.572043796380361, "repeats_pf": {"runs": 3, "values": [-0.3038, -0.3775, -0.2231], "mean": -0.3015, "spread": 0.1544}, "repeats_hs": {"runs": 3, "values": [-0.4201, -0.6316, -0.6645], "mean": -0.572, "spread": 0.2445}, "at": 1787654991}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648138, "scored_at": 1787654991, "alerts": [], "rank": 1345}, {"candidate_id": "ODC-C9333E", "res_at": 1787175235, "skeleton": "ZPBINTCCYBBSOV", "hf_user": "1Dmeds", "display_name": "ODC26-FN-19", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 55.647, "axes": {"activity": 21.49, "binding": 16.64, "selectivity": 3.5, "admet": 5.08, "novelty": 5.5, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.889, "fraction": 0.716}, "binding": {"pIC50": 7.5, "LE": 0.38, "potency_term": 0.832, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.21, "target_engagement": 0.832}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.745, "ld50-zhu": 0.759, "herg": 0.072, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.889244625208731, "aff_pf": -1.4954004287719727, "aff_hs": -1.074434757232666, "repeats_pf": {"runs": 3, "values": [-1.4942, -1.4903, -1.5017], "mean": -1.4954, "spread": 0.0114}, "repeats_hs": {"runs": 3, "values": [-1.3067, -0.8585, -1.0581], "mean": -1.0744, "spread": 0.4482}, "at": 1787175235}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171774, "scored_at": 1787175235, "alerts": [], "rank": 1346}, {"candidate_id": "ODC-B26E0B", "res_at": 1787154027, "skeleton": "OHWKPPQAUJIDOQ", "hf_user": "takutoyo", "display_name": "PfD8-A10", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 55.643, "axes": {"activity": 20.42, "binding": 15.1, "selectivity": 6.89, "admet": 5.37, "novelty": 4.79, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.825, "fraction": 0.681}, "binding": {"pIC50": 7.26, "LE": 0.398, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.456, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 0.89, "ld50-zhu": 0.408, "herg": 0.45, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.825492092907397, "aff_pf": -1.2644374370574951, "aff_hs": -0.3514932195345561, "repeats_pf": {"runs": 3, "values": [-1.326, -1.2826, -1.1847], "mean": -1.2644, "spread": 0.1412}, "repeats_hs": {"runs": 3, "values": [-0.4011, -0.3557, -0.2977], "mean": -0.3515, "spread": 0.1033}, "at": 1787154027}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148042, "scored_at": 1787154027, "alerts": [], "rank": 1347}, {"candidate_id": "ODC-8BE1B5", "res_at": 1787193256, "skeleton": "AGEJPVNKHSTUQM", "hf_user": "Ku-ku", "display_name": "P2_ethynyl_SCH2F_4I3F", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 55.609, "axes": {"activity": 12.27, "binding": 16.79, "selectivity": 11.75, "admet": 6.32, "novelty": 5.42, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 7.52, "LE": 0.448, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.1, "selectivity_term": 0.7, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.707, "herg": 0.588, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.336331085358205, "aff_pf": -1.5186436573664348, "aff_hs": -0.11876738319794337, "repeats_pf": {"runs": 3, "values": [-1.5269, -1.5016, -1.5274], "mean": -1.5186, "spread": 0.0259}, "repeats_hs": {"runs": 3, "values": [-0.0979, -0.0855, -0.1729], "mean": -0.1188, "spread": 0.0874}, "at": 1787193256}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190292, "scored_at": 1787193256, "alerts": [], "rank": 1348}, {"candidate_id": "ODC-15B4B1", "res_at": 1786905278, "skeleton": "XUHRXRARCPVMRV", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.606, "axes": {"activity": 3.44, "binding": 18.4, "selectivity": 17.82, "admet": 6.62, "novelty": 5.64, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 4.807, "fraction": 0.115}, "binding": {"pIC50": 7.76, "LE": 0.462, "potency_term": 0.92, "efficiency_cap": 1.0}, "selectivity": {"fold": 86.4, "selectivity_term": 0.968, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.45, "herg": 0.772, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 4.806565959975578, "aff_pf": -1.7600196997324626, "aff_hs": 0.17644090702136359, "repeats_pf": {"runs": 3, "values": [-1.7472, -1.7299, -1.8029], "mean": -1.76, "spread": 0.0729}, "repeats_hs": {"runs": 3, "values": [0.031, 0.1644, 0.3338], "mean": 0.1764, "spread": 0.3028}, "at": 1786905278}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892545, "scored_at": 1786905278, "alerts": [], "rank": 1349}, {"candidate_id": "ODC-FC6C7F", "res_at": 1788541199, "skeleton": "NLEWXYRIPVUCFH", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 55.584, "axes": {"activity": 11.02, "binding": 18.43, "selectivity": 11.7, "admet": 6.43, "novelty": 4.76, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.261, "fraction": 0.367}, "binding": {"pIC50": 7.76, "LE": 0.425, "potency_term": 0.921, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.612, "herg": 0.214, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "0", "pAct_q10": 5.261294287331203, "aff_pf": -1.7639227708180745, "aff_hs": -0.4938095410664876, "repeats_pf": {"runs": 3, "values": [-1.7823, -1.804, -1.7054], "mean": -1.7639, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [-0.5668, -0.4, -0.5147], "mean": -0.4938, "spread": 0.1668}, "at": 1788541199}, "tier": 1, "alerts": [], "total_sd": 0.789, "total_ci95": [53.955, 56.937], "relegate_reason": [], "submitted_at": 1788489642, "scored_at": 1788541199, "rank": 1350}, {"candidate_id": "ODC-64D5EA", "res_at": 1786845195, "skeleton": "YGIVTYXEHLCIKU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 55.544, "axes": {"activity": 8.34, "binding": 15.82, "selectivity": 15.82, "admet": 7.04, "novelty": 5.01, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.1, "fraction": 0.278}, "binding": {"pIC50": 7.37, "LE": 0.481, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 122.4, "selectivity_term": 1.0, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.812, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.797, "cyp3a4-substrate-carbonmangels": 0.868, "ld50-zhu": 0.378, "herg": 0.849, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.100476329909018, "aff_pf": -1.3728411197662354, "aff_hs": 0.7150097688039144, "repeats_pf": {"runs": 3, "values": [-1.328, -1.4275, -1.363], "mean": -1.3728, "spread": 0.0995}, "repeats_hs": {"runs": 3, "values": [0.8494, 0.6743, 0.6213], "mean": 0.715, "spread": 0.2281}, "at": 1786845195}, "tier": 1, "relegate_reason": [], "submitted_at": 1786835688, "scored_at": 1786845195, "alerts": [], "rank": 1351}, {"candidate_id": "ODC-499360", "res_at": 1787708641, "skeleton": "HXYSATHQTXMAPN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········(F)C1", "total": 55.539, "axes": {"activity": 27.39, "binding": 12.41, "selectivity": 0.07, "admet": 7.19, "novelty": 7.09, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 6.244, "fraction": 0.913}, "binding": {"pIC50": 6.86, "LE": 0.303, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.006, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.483, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.358, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.765, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.223, "novelty": 0.777}, "synthesis": {"sa_score": 4.93}}, "run": {"gpu": "3", "pAct_q10": 6.243557681064658, "aff_pf": -0.8609156211217245, "aff_hs": -0.8492051760355631, "repeats_pf": {"runs": 3, "values": [-0.8507, -0.989, -0.743], "mean": -0.8609, "spread": 0.246}, "repeats_hs": {"runs": 3, "values": [-0.9163, -0.8296, -0.8017], "mean": -0.8492, "spread": 0.1146}, "at": 1787708641}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705795, "scored_at": 1787708641, "alerts": [], "rank": 1352}, {"candidate_id": "ODC-FFD37F", "res_at": 1787645821, "skeleton": "HIJSWCASRWNULE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.535, "axes": {"activity": 29.04, "binding": 9.0, "selectivity": 0.82, "admet": 7.7, "novelty": 7.44, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 6.342, "fraction": 0.968}, "binding": {"pIC50": 6.39, "LE": 0.292, "potency_term": 0.463, "efficiency_cap": 0.973}, "selectivity": {"fold": 1.5, "selectivity_term": 0.089, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 0.873, "pgp-broccatelli": 0.538, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.954, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.231, "novelty": 0.769}, "synthesis": {"sa_score": 4.9}}, "run": {"gpu": "3", "pAct_q10": 6.342103269310658, "aff_pf": -0.3887856702009837, "aff_hs": -0.21100756029287973, "repeats_pf": {"runs": 3, "values": [-0.4427, -0.362, -0.3616], "mean": -0.3888, "spread": 0.0811}, "repeats_hs": {"runs": 3, "values": [-0.1488, -0.119, -0.3653], "mean": -0.211, "spread": 0.2463}, "at": 1787645821}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641322, "scored_at": 1787645821, "alerts": [], "rank": 1353}, {"candidate_id": "ODC-E3B79B", "res_at": 1787082592, "skeleton": "UXBQXBPEBPRCPA", "hf_user": "1Dmeds", "display_name": "ODC26-MB-18", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Br", "total": 55.517, "axes": {"activity": 20.89, "binding": 15.8, "selectivity": 5.49, "admet": 4.92, "novelty": 5.15, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.854, "fraction": 0.696}, "binding": {"pIC50": 7.37, "LE": 0.404, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.347, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.481, "ld50-zhu": 0.444, "herg": 0.516, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.853526026794966, "aff_pf": -1.370599349339803, "aff_hs": -0.6758764982223511, "repeats_pf": {"runs": 3, "values": [-1.3764, -1.3386, -1.3968], "mean": -1.3706, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [-0.7117, -0.7216, -0.5943], "mean": -0.6759, "spread": 0.1273}, "at": 1787082592}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069711, "scored_at": 1787082592, "alerts": [], "rank": 1354}, {"candidate_id": "ODC-752C6E", "res_at": 1787629364, "skeleton": "AFBNVGKNIXHRLS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.516, "axes": {"activity": 30.0, "binding": 8.86, "selectivity": 0.0, "admet": 7.42, "novelty": 7.61, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 6.409, "fraction": 1.0}, "binding": {"pIC50": 6.33, "LE": 0.299, "potency_term": 0.444, "efficiency_cap": 0.997}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.444}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.854, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.75, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 4.87}}, "run": {"gpu": "3", "pAct_q10": 6.40926323929017, "aff_pf": -0.333010991414388, "aff_hs": -0.9895120064417521, "repeats_pf": {"runs": 3, "values": [-0.2998, -0.3537, -0.3455], "mean": -0.333, "spread": 0.0539}, "repeats_hs": {"runs": 3, "values": [-0.8171, -1.0157, -1.1358], "mean": -0.9895, "spread": 0.3187}, "at": 1787629364}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621956, "scored_at": 1787629364, "alerts": [], "rank": 1355}, {"candidate_id": "ODC-9C85F6", "res_at": 1787645035, "skeleton": "RLVRZAUPMPESDT", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.515, "axes": {"activity": 30.0, "binding": 8.78, "selectivity": 0.0, "admet": 7.64, "novelty": 7.56, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 6.58, "fraction": 1.0}, "binding": {"pIC50": 6.36, "LE": 0.29, "potency_term": 0.453, "efficiency_cap": 0.968}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.878, "cyp2c9-veith": 0.941, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.982}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 4.92}}, "run": {"gpu": "3", "pAct_q10": 6.580336213438693, "aff_pf": -0.36023597915967304, "aff_hs": -0.3785338004430135, "repeats_pf": {"runs": 3, "values": [-0.4039, -0.2455, -0.4313], "mean": -0.3602, "spread": 0.1858}, "repeats_hs": {"runs": 3, "values": [-0.3674, -0.4607, -0.3074], "mean": -0.3785, "spread": 0.1533}, "at": 1787645035}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641264, "scored_at": 1787645035, "alerts": [], "rank": 1356}, {"candidate_id": "ODC-0E38C4", "res_at": 1787621680, "skeleton": "SSWCQYZBDPQEDE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 55.513, "axes": {"activity": 14.81, "binding": 18.6, "selectivity": 9.53, "admet": 4.59, "novelty": 4.08, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 5.489, "fraction": 0.494}, "binding": {"pIC50": 7.79, "LE": 0.41, "potency_term": 0.93, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.512, "target_engagement": 0.93}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.779, "ld50-zhu": 0.428, "herg": 0.152, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.561, "novelty": 0.439}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.488659556251621, "aff_pf": -1.7904091278711955, "aff_hs": -0.7663386662801107, "repeats_pf": {"runs": 3, "values": [-1.7168, -1.7611, -1.8934], "mean": -1.7904, "spread": 0.1767}, "repeats_hs": {"runs": 3, "values": [-0.723, -0.7597, -0.8163], "mean": -0.7663, "spread": 0.0934}, "at": 1787621680}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620841, "scored_at": 1787621680, "alerts": [], "rank": 1357}, {"candidate_id": "ODC-C7B336", "res_at": 1787871798, "skeleton": "IZUOTGFYCWDEPC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 55.511, "axes": {"activity": 12.03, "binding": 16.89, "selectivity": 12.33, "admet": 6.92, "novelty": 3.72, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 7.53, "LE": 0.397, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.8, "selectivity_term": 0.73, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.858, "cyp3a4-substrate-carbonmangels": 0.28, "ld50-zhu": 0.487, "herg": 0.368, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.321560233378415, "aff_pf": -1.5342082579930623, "aff_hs": -0.074443103124698, "repeats_pf": {"runs": 3, "values": [-1.4718, -1.6044, -1.5264], "mean": -1.5342, "spread": 0.1327}, "repeats_hs": {"runs": 3, "values": [-0.1495, 0.0325, -0.1064], "mean": -0.0744, "spread": 0.182}, "at": 1787855147}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800700, "scored_at": 1787855147, "alerts": [], "rank": 1358}, {"candidate_id": "ODC-B4A477", "res_at": 1787871774, "skeleton": "VIHLSMKKCUFBRX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 55.494, "axes": {"activity": 22.42, "binding": 13.48, "selectivity": 7.01, "admet": 4.84, "novelty": 4.53, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.945, "fraction": 0.747}, "binding": {"pIC50": 7.02, "LE": 0.356, "potency_term": 0.674, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.52, "target_engagement": 0.674}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.14, "cyp3a4-substrate-carbonmangels": 0.909, "ld50-zhu": 0.405, "herg": 0.249, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.944989690082149, "aff_pf": -1.0218210220336914, "aff_hs": 0.017740972340106964, "repeats_pf": {"runs": 3, "values": [-1.0395, -1.004, -1.022], "mean": -1.0218, "spread": 0.0356}, "repeats_hs": {"runs": 3, "values": [0.1987, -0.0477, -0.0977], "mean": 0.0177, "spread": 0.2964}, "at": 1787863395}, "tier": 1, "relegate_reason": [], "submitted_at": 1787807826, "scored_at": 1787863395, "alerts": [], "rank": 1359}, {"candidate_id": "ODC-474839", "res_at": 1787171809, "skeleton": "WSKWPSJFUWBPCT", "hf_user": "1Dmeds", "display_name": "ODC26-FN-01", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.488, "axes": {"activity": 21.56, "binding": 15.76, "selectivity": 5.72, "admet": 4.99, "novelty": 3.8, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.894, "fraction": 0.719}, "binding": {"pIC50": 7.36, "LE": 0.439, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.363, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.282, "ld50-zhu": 0.34, "herg": 0.421, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.893771862684081, "aff_pf": -1.3642512162526448, "aff_hs": -0.6379138628641764, "repeats_pf": {"runs": 3, "values": [-1.2983, -1.5031, -1.2914], "mean": -1.3643, "spread": 0.2117}, "repeats_hs": {"runs": 3, "values": [-0.6785, -0.6005, -0.6347], "mean": -0.6379, "spread": 0.0781}, "at": 1787171809}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171607, "scored_at": 1787171809, "alerts": [], "rank": 1360}, {"candidate_id": "ODC-20C78B", "res_at": 1786874132, "skeleton": "FANDFUUWKGUCRC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.473, "axes": {"activity": 13.68, "binding": 18.4, "selectivity": 9.31, "admet": 5.74, "novelty": 4.68, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 7.76, "LE": 0.425, "potency_term": 0.92, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.418, "ld50-zhu": 0.542, "herg": 0.352, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "2", "pAct_q10": 5.421097659686341, "aff_pf": -1.7593941688537598, "aff_hs": -0.7472041249275208, "repeats_pf": {"runs": 3, "values": [-1.7898, -1.7566, -1.7318], "mean": -1.7594, "spread": 0.0579}, "repeats_hs": {"runs": 3, "values": [-0.7495, -0.7554, -0.7367], "mean": -0.7472, "spread": 0.0188}, "at": 1786874132}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866714, "scored_at": 1786874132, "alerts": [], "rank": 1361}, {"candidate_id": "ODC-5E9543", "res_at": 1789968544, "skeleton": "XDSPSBJAOFWUGN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.465, "axes": {"activity": 16.12, "binding": 16.53, "selectivity": 9.04, "admet": 6.11, "novelty": 3.98, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 7.48, "LE": 0.488, "potency_term": 0.826, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.923, "cyp2c9-veith": 0.431, "cyp3a4-substrate-carbonmangels": 0.652, "ld50-zhu": 0.442, "herg": 0.222, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.567011036558303, "aff_pf": -1.4791378180185955, "aff_hs": -0.38516409198443097, "repeats_pf": {"runs": 3, "values": [-1.4531, -1.4719, -1.5124], "mean": -1.4791, "spread": 0.0592}, "repeats_hs": {"runs": 3, "values": [-0.3636, -0.3663, -0.4256], "mean": -0.3852, "spread": 0.062}, "at": 1789968544}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [54.97, 56.264], "relegate_reason": [], "submitted_at": 1789949263, "scored_at": 1789968544, "rank": 1362}, {"candidate_id": "ODC-D1C2D5", "res_at": 1789527864, "skeleton": "KUXYCCCVTMXHDC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 55.464, "axes": {"activity": 8.36, "binding": 18.12, "selectivity": 14.34, "admet": 5.26, "novelty": 5.32, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 5.102, "fraction": 0.279}, "binding": {"pIC50": 7.72, "LE": 0.441, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.2, "selectivity_term": 0.791, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.677, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.101877936697988, "aff_pf": -1.7186822096506755, "aff_hs": -0.13629825661579767, "repeats_pf": {"runs": 3, "values": [-1.7471, -1.6674, -1.7416], "mean": -1.7187, "spread": 0.0797}, "repeats_hs": {"runs": 3, "values": [-0.1354, -0.1653, -0.1082], "mean": -0.1363, "spread": 0.0572}, "at": 1789527864}, "tier": 1, "alerts": [], "total_sd": 0.579, "total_ci95": [54.12, 56.251], "relegate_reason": [], "submitted_at": 1789524710, "scored_at": 1789527864, "rank": 1363}, {"candidate_id": "ODC-1242D4", "res_at": 1789625661, "skeleton": "CCVWFBBFWIEBCS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCc1cc··········3)cc1", "total": 55.461, "axes": {"activity": 19.12, "binding": 15.12, "selectivity": 8.02, "admet": 5.36, "novelty": 4.63, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.747, "fraction": 0.637}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.53, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.832, "ld50-zhu": 0.509, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.747478759809959, "aff_pf": -1.2679967482884724, "aff_hs": -0.2075138290723165, "repeats_pf": {"runs": 3, "values": [-1.2443, -1.3351, -1.2246], "mean": -1.268, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [-0.0205, -0.4271, -0.175], "mean": -0.2075, "spread": 0.4066}, "at": 1789625661}, "tier": 1, "alerts": [], "total_sd": 0.913, "total_ci95": [53.972, 57.459], "relegate_reason": [], "submitted_at": 1789619559, "scored_at": 1789625661, "rank": 1364}, {"candidate_id": "ODC-0D0B14", "res_at": 1789625267, "skeleton": "PHWPOAQUILHTAR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········)cc1F", "total": 55.449, "axes": {"activity": 17.09, "binding": 16.67, "selectivity": 6.63, "admet": 6.19, "novelty": 5.31, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.398, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.439, "herg": 0.241, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.62568882506443, "aff_pf": -1.5009805758794148, "aff_hs": -0.7053074439366659, "repeats_pf": {"runs": 3, "values": [-1.5236, -1.4857, -1.4936], "mean": -1.501, "spread": 0.0379}, "repeats_hs": {"runs": 3, "values": [-0.582, -0.7346, -0.7993], "mean": -0.7053, "spread": 0.2172}, "at": 1789625267}, "tier": 1, "alerts": [], "total_sd": 0.456, "total_ci95": [54.666, 56.356], "relegate_reason": [], "submitted_at": 1789619516, "scored_at": 1789625267, "rank": 1365}, {"candidate_id": "ODC-A29571", "res_at": 1787014450, "skeleton": "IRSZOXXOXZXOJC", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········)CCC1", "total": 55.429, "axes": {"activity": 26.54, "binding": 11.4, "selectivity": 3.65, "admet": 4.61, "novelty": 5.48, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.192, "fraction": 0.885}, "binding": {"pIC50": 6.81, "LE": 0.283, "potency_term": 0.605, "efficiency_cap": 0.943}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.605}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.951, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 6.192474868106973, "aff_pf": -0.8138554890950521, "aff_hs": -0.209942157069842, "repeats_pf": {"runs": 3, "values": [-0.7271, -0.7815, -0.9329], "mean": -0.8139, "spread": 0.2058}, "repeats_hs": {"runs": 3, "values": [-0.2873, -0.2044, -0.1381], "mean": -0.2099, "spread": 0.1491}, "at": 1787014450}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013602, "scored_at": 1787014450, "alerts": [], "rank": 1366}, {"candidate_id": "ODC-2A9142", "res_at": 1787709398, "skeleton": "JXRRTLOVZAGJQE", "hf_user": "Moonweave", "display_name": "M5AI-FPOS-CAND-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 55.422, "axes": {"activity": 19.66, "binding": 15.42, "selectivity": 9.83, "admet": 2.72, "novelty": 4.15, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.78, "fraction": 0.655}, "binding": {"pIC50": 7.31, "LE": 0.345, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.8, "selectivity_term": 0.637, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.489, "herg": 0.05, "dili": 0.251}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.779621698820498, "aff_pf": -1.312926173210144, "aff_hs": -0.03812821675091982, "repeats_pf": {"runs": 3, "values": [-1.2653, -1.3422, -1.3313], "mean": -1.3129, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [-0.0811, -0.0217, -0.0116], "mean": -0.0381, "spread": 0.0695}, "at": 1787709398}, "tier": 1, "relegate_reason": [], "submitted_at": 1787706669, "scored_at": 1787709398, "alerts": [], "rank": 1367}, {"candidate_id": "ODC-DD8C9B", "res_at": 1786769304, "skeleton": "CGEFFBATYAVUIW", "hf_user": "aiqcamp", "display_name": "FKDKSA", "model_name": "Deepseek v4 flash", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Br)c(F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 55.41, "axes": {"activity": 15.26, "binding": 15.72, "selectivity": 12.94, "admet": 5.78, "novelty": 2.08, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.515, "fraction": 0.509}, "binding": {"pIC50": 7.36, "LE": 0.438, "potency_term": 0.786, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.2, "selectivity_term": 0.823, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.503, "cyp3a4-substrate-carbonmangels": 0.313, "ld50-zhu": 0.285, "herg": 0.529, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.736, "novelty": 0.264}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.515330116194159, "aff_pf": -1.3587446212768555, "aff_hs": 0.2869313359260559, "at": 1786769304}, "tier": 1, "relegate_reason": [], "submitted_at": 1786768569, "scored_at": 1786769304, "alerts": [], "rank": 1368}, {"candidate_id": "ODC-66866B", "res_at": 1786957339, "skeleton": "BPWJIEZBJFEUMJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.404, "axes": {"activity": 13.4, "binding": 16.19, "selectivity": 14.12, "admet": 5.04, "novelty": 2.85, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.809, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.5, "selectivity_term": 0.872, "target_engagement": 0.809}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.437, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.364, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.404235264440007, "aff_pf": -1.4280763467152913, "aff_hs": 0.3159688909848531, "repeats_pf": {"runs": 3, "values": [-1.4542, -1.3882, -1.4418], "mean": -1.4281, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [0.2762, 0.3658, 0.3059], "mean": 0.316, "spread": 0.0896}, "at": 1786957339}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956298, "scored_at": 1786957339, "alerts": [], "rank": 1369}, {"candidate_id": "ODC-60F735", "res_at": 1786924060, "skeleton": "HDHNCVAAPLLSDM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 55.396, "axes": {"activity": 21.45, "binding": 13.4, "selectivity": 7.81, "admet": 5.26, "novelty": 4.66, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.887, "fraction": 0.715}, "binding": {"pIC50": 7.01, "LE": 0.384, "potency_term": 0.67, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.7, "selectivity_term": 0.583, "target_engagement": 0.67}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.46, "herg": 0.842, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.886746062953427, "aff_pf": -1.0095721085866292, "aff_hs": 0.156626025835673, "repeats_pf": {"runs": 3, "values": [-1.1123, -0.9597, -0.9567], "mean": -1.0096, "spread": 0.1556}, "repeats_hs": {"runs": 3, "values": [0.1775, 0.1124, 0.18], "mean": 0.1566, "spread": 0.0676}, "at": 1786924060}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922412, "scored_at": 1786924060, "alerts": [], "rank": 1370}, {"candidate_id": "ODC-7DAD94", "res_at": 1786964749, "skeleton": "LUAFQBVBAMLDLK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 55.364, "axes": {"activity": 18.93, "binding": 15.35, "selectivity": 8.75, "admet": 4.69, "novelty": 4.15, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.736, "fraction": 0.631}, "binding": {"pIC50": 7.3, "LE": 0.435, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.455, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.622, "ld50-zhu": 0.346, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.73571279178675, "aff_pf": -1.3020981947580974, "aff_hs": -0.16121265292167664, "repeats_pf": {"runs": 3, "values": [-1.2665, -1.2641, -1.3756], "mean": -1.3021, "spread": 0.1115}, "repeats_hs": {"runs": 3, "values": [-0.0784, -0.384, -0.0213], "mean": -0.1612, "spread": 0.3627}, "at": 1786964749}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964378, "scored_at": 1786964749, "alerts": [], "rank": 1371}, {"candidate_id": "ODC-A2C11C", "res_at": 1787646794, "skeleton": "TVUVNLGTDCIBJP", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.351, "axes": {"activity": 28.67, "binding": 10.65, "selectivity": 0.0, "admet": 7.72, "novelty": 7.5, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 6.32, "fraction": 0.956}, "binding": {"pIC50": 6.6, "LE": 0.301, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.776, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.804, "herg": 0.069, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.216, "novelty": 0.784}, "synthesis": {"sa_score": 5.4}}, "run": {"gpu": "3", "pAct_q10": 6.320287746609549, "aff_pf": -0.5970329443613688, "aff_hs": -0.7878397901852926, "repeats_pf": {"runs": 3, "values": [-0.643, -0.686, -0.4621], "mean": -0.597, "spread": 0.224}, "repeats_hs": {"runs": 3, "values": [-0.8247, -0.7846, -0.7542], "mean": -0.7878, "spread": 0.0705}, "at": 1787646794}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641356, "scored_at": 1787646794, "alerts": [], "rank": 1372}, {"candidate_id": "ODC-689686", "res_at": 1787714028, "skeleton": "QLJYBMANNQLDDS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.347, "axes": {"activity": 29.43, "binding": 7.79, "selectivity": 0.0, "admet": 9.08, "novelty": 7.53, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 6.366, "fraction": 0.981}, "binding": {"pIC50": 6.27, "LE": 0.277, "potency_term": 0.422, "efficiency_cap": 0.923}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.617, "per_endpoint": {"solubility-aqsoldb": 0.503, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.775, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.222, "ld50-zhu": 0.758, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.91}}, "run": {"gpu": "3", "pAct_q10": 6.365500822700747, "aff_pf": -0.2660532792409261, "aff_hs": -0.46608853340148926, "repeats_pf": {"runs": 3, "values": [-0.4518, -0.3597, 0.0133], "mean": -0.2661, "spread": 0.4652}, "repeats_hs": {"runs": 3, "values": [-0.4823, -0.5193, -0.3966], "mean": -0.4661, "spread": 0.1226}, "at": 1787714028}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712202, "scored_at": 1787714028, "alerts": [], "rank": 1373}, {"candidate_id": "ODC-D549F9", "res_at": 1788512251, "skeleton": "IBDKGLABXPGFIZ", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Me/p-MeCF2", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.345, "axes": {"activity": 16.11, "binding": 16.69, "selectivity": 9.39, "admet": 6.7, "novelty": 2.43, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 7.5, "LE": 0.447, "potency_term": 0.834, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.563, "target_engagement": 0.834}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.396, "ld50-zhu": 0.403, "herg": 0.806, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.708, "novelty": 0.292}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.566601319412063, "aff_pf": -1.5028812885284424, "aff_hs": -0.3768197298049927, "repeats_pf": {"runs": 3, "values": [-1.5177, -1.4588, -1.5321], "mean": -1.5029, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [-0.332, -0.3851, -0.4134], "mean": -0.3768, "spread": 0.0814}, "at": 1788512251}, "tier": 1, "alerts": [], "total_sd": 0.465, "total_ci95": [54.438, 56.162], "relegate_reason": [], "submitted_at": 1788487258, "scored_at": 1788512251, "rank": 1374}, {"candidate_id": "ODC-F26153", "res_at": 1786891275, "skeleton": "AXTKJKVPFQKNFF", "hf_user": "1Dmeds", "display_name": "ODC26-R4C-H", "model_name": "Claude Sonnet 4.6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.341, "axes": {"activity": 10.37, "binding": 15.63, "selectivity": 15.63, "admet": 5.74, "novelty": 4.26, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.346}, "binding": {"pIC50": 7.34, "LE": 0.479, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 134.9, "selectivity_term": 1.0, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.857, "ld50-zhu": 0.385, "herg": 0.488, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "2", "pAct_q10": 5.221997261801956, "aff_pf": -1.3441280126571655, "aff_hs": 0.7859934568405151, "repeats_pf": {"runs": 3, "values": [-1.3689, -1.3458, -1.3177], "mean": -1.3441, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [0.7474, 0.7997, 0.8109], "mean": 0.786, "spread": 0.0636}, "at": 1786891275}, "tier": 1, "relegate_reason": [], "submitted_at": 1786882036, "scored_at": 1786891275, "alerts": [], "rank": 1375}, {"candidate_id": "ODC-E580DD", "res_at": 1786850095, "skeleton": "FTHVRCXKCAWPDX", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.335, "axes": {"activity": 14.07, "binding": 16.04, "selectivity": 11.94, "admet": 6.08, "novelty": 3.78, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 7.41, "LE": 0.461, "potency_term": 0.802, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.9, "selectivity_term": 0.745, "target_engagement": 0.802}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.732, "ld50-zhu": 0.469, "herg": 0.825, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.444467611409401, "aff_pf": -1.4053225914637248, "aff_hs": 0.08401915431022644, "repeats_pf": {"runs": 3, "values": [-1.3735, -1.4399, -1.4026], "mean": -1.4053, "spread": 0.0664}, "repeats_hs": {"runs": 3, "values": [0.3036, -0.0806, 0.0291], "mean": 0.084, "spread": 0.3842}, "at": 1786850095}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847138, "scored_at": 1786850095, "alerts": [], "rank": 1376}, {"candidate_id": "ODC-7C7FFA", "res_at": 1786956786, "skeleton": "JYRNWASODIWGTD", "hf_user": "amadeus0710", "display_name": "frederic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········)n2n1", "total": 55.328, "axes": {"activity": 12.85, "binding": 15.81, "selectivity": 13.7, "admet": 5.74, "novelty": 3.53, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.371, "fraction": 0.428}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.0, "selectivity_term": 0.866, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.551, "cyp3a4-substrate-carbonmangels": 0.777, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.371255361697202, "aff_pf": -1.372192660967509, "aff_hs": 0.36014338334401447, "repeats_pf": {"runs": 3, "values": [-1.3533, -1.3867, -1.3766], "mean": -1.3722, "spread": 0.0335}, "repeats_hs": {"runs": 3, "values": [0.537, 0.1527, 0.3907], "mean": 0.3601, "spread": 0.3842}, "at": 1786956786}, "tier": 1, "relegate_reason": [], "submitted_at": 1786954256, "scored_at": 1786956786, "alerts": [], "rank": 1377}, {"candidate_id": "ODC-D0DD51", "res_at": 1787382094, "skeleton": "DEGBIWPIGJGKKN", "hf_user": "Ku-ku", "display_name": "Y4_arm_short", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········nc2n1", "total": 55.321, "axes": {"activity": 23.61, "binding": 12.46, "selectivity": 6.24, "admet": 4.05, "novelty": 5.45, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.017, "fraction": 0.787}, "binding": {"pIC50": 6.87, "LE": 0.314, "potency_term": 0.623, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.501, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.174, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.42, "herg": 0.105, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 6.016792783991171, "aff_pf": -0.8695271015167236, "aff_hs": 0.13251523425181708, "repeats_pf": {"runs": 3, "values": [-0.8377, -0.9094, -0.8615], "mean": -0.8695, "spread": 0.0717}, "repeats_hs": {"runs": 3, "values": [0.1483, 0.0361, 0.2132], "mean": 0.1325, "spread": 0.1771}, "at": 1787382094}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381485, "scored_at": 1787382094, "alerts": [], "rank": 1378}, {"candidate_id": "ODC-ED2CF1", "res_at": 1789900281, "skeleton": "ZDLYKBXCXSNRED", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 55.314, "axes": {"activity": 20.34, "binding": 17.39, "selectivity": 3.14, "admet": 5.42, "novelty": 5.58, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.82, "fraction": 0.678}, "binding": {"pIC50": 7.61, "LE": 0.372, "potency_term": 0.87, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.181, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.404, "cyp3a4-substrate-carbonmangels": 0.745, "ld50-zhu": 0.603, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "2", "pAct_q10": 5.8201225020562175, "aff_pf": -1.6090449889500935, "aff_hs": -1.247967521349589, "repeats_pf": {"runs": 3, "values": [-1.6103, -1.6025, -1.6143], "mean": -1.609, "spread": 0.0118}, "repeats_hs": {"runs": 3, "values": [-1.2127, -1.2633, -1.2679], "mean": -1.248, "spread": 0.0552}, "at": 1789900281}, "tier": 1, "alerts": [], "total_sd": 0.145, "total_ci95": [55.08, 55.577], "relegate_reason": [], "submitted_at": 1789758181, "scored_at": 1789900281, "rank": 1379}, {"candidate_id": "ODC-9E8F19", "res_at": 1786894392, "skeleton": "RUVBDTUVMBIKJL", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 55.305, "axes": {"activity": 22.42, "binding": 13.3, "selectivity": 6.26, "admet": 5.5, "novelty": 4.48, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.945, "fraction": 0.747}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.872, "ld50-zhu": 0.377, "herg": 0.528, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.945429875395054, "aff_pf": -0.9948723713556925, "aff_hs": -0.05417365332444509, "repeats_pf": {"runs": 3, "values": [-0.9455, -1.0562, -0.9829], "mean": -0.9949, "spread": 0.1108}, "repeats_hs": {"runs": 3, "values": [0.0527, -0.1853, -0.0299], "mean": -0.0542, "spread": 0.238}, "at": 1786894392}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879606, "scored_at": 1786894392, "alerts": [], "rank": 1380}, {"candidate_id": "ODC-BF4CDA", "res_at": 1787871791, "skeleton": "OAHVNAOSQNHBJU", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 55.256, "axes": {"activity": 14.83, "binding": 18.01, "selectivity": 9.12, "admet": 5.75, "novelty": 3.73, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.494}, "binding": {"pIC50": 7.7, "LE": 0.406, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.46, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.38, "herg": 0.243, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.4899161958568365, "aff_pf": -1.7019010384877522, "aff_hs": -0.6890960137049357, "repeats_pf": {"runs": 3, "values": [-1.6591, -1.73, -1.7166], "mean": -1.7019, "spread": 0.0709}, "repeats_hs": {"runs": 3, "values": [-0.7371, -0.5833, -0.7469], "mean": -0.6891, "spread": 0.1636}, "at": 1787855587}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800743, "scored_at": 1787855587, "alerts": [], "rank": 1381}, {"candidate_id": "ODC-3B5314", "res_at": 1787210601, "skeleton": "PMLMRAWAWQYBCY", "hf_user": "araai", "display_name": "araai", "model_name": "Ara evidence loop - Codex R13", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COC(F)(··········)cc1F", "total": 55.252, "axes": {"activity": 18.03, "binding": 15.98, "selectivity": 8.73, "admet": 5.16, "novelty": 3.99, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 7.4, "LE": 0.405, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.546, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.281, "ld50-zhu": 0.496, "herg": 0.237, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.681729844136233, "aff_pf": -1.396591583887736, "aff_hs": -0.3041422963142395, "repeats_pf": {"runs": 3, "values": [-1.4428, -1.3654, -1.3815], "mean": -1.3966, "spread": 0.0774}, "repeats_hs": {"runs": 3, "values": [-0.373, -0.3039, -0.2356], "mean": -0.3041, "spread": 0.1374}, "at": 1787210601}, "tier": 1, "relegate_reason": [], "submitted_at": 1787209603, "scored_at": 1787210601, "alerts": [], "rank": 1382}, {"candidate_id": "ODC-F76E64", "res_at": 1787324868, "skeleton": "WJORXQSHZDHSDJ", "hf_user": "Ku-ku", "display_name": "F_4Br_3ethynyl", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········cc1Br", "total": 55.234, "axes": {"activity": 21.78, "binding": 16.6, "selectivity": 3.38, "admet": 5.67, "novelty": 4.35, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.907, "fraction": 0.726}, "binding": {"pIC50": 7.49, "LE": 0.428, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.331, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.403, "herg": 0.587, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.906854968331046, "aff_pf": -1.4900092283884685, "aff_hs": -1.0825702746709187, "repeats_pf": {"runs": 3, "values": [-1.516, -1.4871, -1.4669], "mean": -1.49, "spread": 0.0491}, "repeats_hs": {"runs": 3, "values": [-1.1823, -0.9521, -1.1133], "mean": -1.0826, "spread": 0.2302}, "at": 1787324868}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322709, "scored_at": 1787324868, "alerts": [], "rank": 1383}, {"candidate_id": "ODC-1B1C38", "res_at": 1787871612, "skeleton": "OPOSXTFRGFCNBQ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 55.23, "axes": {"activity": 24.05, "binding": 12.65, "selectivity": 6.07, "admet": 4.3, "novelty": 5.0, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 6.043, "fraction": 0.802}, "binding": {"pIC50": 6.9, "LE": 0.35, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.48, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.11, "ld50-zhu": 0.453, "herg": 0.237, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.043242602595067, "aff_pf": -0.897399922211965, "aff_hs": 0.063107763727506, "repeats_pf": {"runs": 3, "values": [-0.7706, -0.9581, -0.9635], "mean": -0.8974, "spread": 0.193}, "repeats_hs": {"runs": 3, "values": [0.2635, 0.0455, -0.1197], "mean": 0.0631, "spread": 0.3832}, "at": 1787861131}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806879, "scored_at": 1787861131, "alerts": [], "rank": 1384}, {"candidate_id": "ODC-53F101", "res_at": 1786867402, "skeleton": "ZXUTURMPRUNXOM", "hf_user": "choa712", "display_name": "LUCY-R3-03", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 55.226, "axes": {"activity": 21.01, "binding": 15.0, "selectivity": 5.75, "admet": 5.44, "novelty": 4.76, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.861, "fraction": 0.7}, "binding": {"pIC50": 7.25, "LE": 0.451, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.383, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.784, "ld50-zhu": 0.36, "herg": 0.81, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.860867050517549, "aff_pf": -1.2501299778620403, "aff_hs": -0.4840676287810008, "repeats_pf": {"runs": 3, "values": [-1.1644, -1.2013, -1.3847], "mean": -1.2501, "spread": 0.2203}, "repeats_hs": {"runs": 3, "values": [-0.6298, -0.4014, -0.421], "mean": -0.4841, "spread": 0.2284}, "at": 1786867402}, "tier": 1, "relegate_reason": [], "submitted_at": 1786858561, "scored_at": 1786867402, "alerts": [], "rank": 1385}, {"candidate_id": "ODC-CFE45D", "res_at": 1787193445, "skeleton": "UYPKDBOURZWRNQ", "hf_user": "Ku-ku", "display_name": "P3_CN_SCHF2_4I", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 55.207, "axes": {"activity": 20.95, "binding": 12.46, "selectivity": 9.8, "admet": 4.98, "novelty": 4.07, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 6.87, "LE": 0.409, "potency_term": 0.623, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.4, "selectivity_term": 0.786, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.407, "herg": 0.876, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.857281386848816, "aff_pf": -0.8684861461321512, "aff_hs": 0.704489270846049, "repeats_pf": {"runs": 3, "values": [-0.9083, -0.9195, -0.7776], "mean": -0.8685, "spread": 0.142}, "repeats_hs": {"runs": 3, "values": [0.7979, 0.6887, 0.6269], "mean": 0.7045, "spread": 0.171}, "at": 1787193445}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190299, "scored_at": 1787193445, "alerts": [], "rank": 1386}, {"candidate_id": "ODC-93CBE3", "res_at": 1787254888, "skeleton": "CWQSIGPHVXGSBR", "hf_user": "takutoyo", "display_name": "PfD11-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)cc1F", "total": 55.207, "axes": {"activity": 23.46, "binding": 14.96, "selectivity": 2.82, "admet": 7.02, "novelty": 3.98, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 6.007, "fraction": 0.782}, "binding": {"pIC50": 7.24, "LE": 0.413, "potency_term": 0.748, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.188, "target_engagement": 0.748}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.473, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.703, "cyp3a4-substrate-carbonmangels": 0.722, "ld50-zhu": 0.376, "herg": 0.99, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.007305166038349, "aff_pf": -1.2432782252629597, "aff_hs": -0.8666902979214987, "repeats_pf": {"runs": 3, "values": [-1.2475, -1.2181, -1.2643], "mean": -1.2433, "spread": 0.0462}, "repeats_hs": {"runs": 3, "values": [-0.6505, -1.1189, -0.8307], "mean": -0.8667, "spread": 0.4683}, "at": 1787254888}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787247655, "scored_at": 1787254888, "rank": 1387}, {"candidate_id": "ODC-B32A75", "res_at": 1789082172, "skeleton": "MVYZOMGDBHOWJL", "hf_user": "trblnfxn", "display_name": "NC-ANIL-02_35diF4CF3", "model_name": "Hermes-AnilineScan-v4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.193, "axes": {"activity": 13.6, "binding": 17.71, "selectivity": 8.62, "admet": 6.89, "novelty": 4.43, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.453}, "binding": {"pIC50": 7.66, "LE": 0.437, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.487, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.484, "ld50-zhu": 0.498, "herg": 0.496, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.415735332365344, "aff_pf": -1.6561497052510579, "aff_hs": -0.6827927629152933, "repeats_pf": {"runs": 3, "values": [-1.6392, -1.6398, -1.6894], "mean": -1.6561, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [-0.6912, -0.6392, -0.718], "mean": -0.6828, "spread": 0.0787}, "at": 1789082172}, "tier": 1, "alerts": [], "total_sd": 0.37, "total_ci95": [54.557, 56.011], "relegate_reason": [], "submitted_at": 1789053683, "scored_at": 1789082172, "rank": 1388}, {"candidate_id": "ODC-B16B8A", "res_at": 1786978751, "skeleton": "BAQPICQFIZQIML", "hf_user": "PhD-Shin", "display_name": "PhD-Shin PF-fam-B", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 55.186, "axes": {"activity": 21.49, "binding": 15.49, "selectivity": 6.24, "admet": 4.22, "novelty": 4.52, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.889, "fraction": 0.716}, "binding": {"pIC50": 7.32, "LE": 0.436, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.582, "ld50-zhu": 0.372, "herg": 0.72, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.889213140086099, "aff_pf": -1.3235761721928914, "aff_hs": -0.517901082833608, "repeats_pf": {"runs": 3, "values": [-1.3202, -1.3496, -1.3009], "mean": -1.3236, "spread": 0.0486}, "repeats_hs": {"runs": 3, "values": [-0.835, -0.3809, -0.3378], "mean": -0.5179, "spread": 0.4972}, "at": 1786978751}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977018, "scored_at": 1786978751, "alerts": [], "rank": 1389}, {"candidate_id": "ODC-3EE693", "res_at": 1787710790, "skeleton": "OSWRVCIHFHCBKS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 55.179, "axes": {"activity": 29.9, "binding": 6.09, "selectivity": 0.0, "admet": 9.73, "novelty": 7.53, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 6.394, "fraction": 0.997}, "binding": {"pIC50": 6.03, "LE": 0.266, "potency_term": 0.343, "efficiency_cap": 0.888}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.343}, "admet": {"geometric_mean": 0.651, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.747, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.4, "ld50-zhu": 0.967, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 4.64}}, "run": {"gpu": "3", "pAct_q10": 6.393745475405619, "aff_pf": -0.029199058810869854, "aff_hs": -0.4872647126515706, "repeats_pf": {"runs": 3, "values": [-0.1088, 0.0395, -0.0183], "mean": -0.0292, "spread": 0.1482}, "repeats_hs": {"runs": 3, "values": [-0.5689, -0.4523, -0.4406], "mean": -0.4873, "spread": 0.1283}, "at": 1787710790}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709636, "scored_at": 1787710790, "alerts": [], "rank": 1390}, {"candidate_id": "ODC-7CFE1A", "res_at": 1787046320, "skeleton": "SOODTSZVFCZXPH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 55.177, "axes": {"activity": 20.56, "binding": 17.16, "selectivity": 4.11, "admet": 4.51, "novelty": 5.45, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.834, "fraction": 0.685}, "binding": {"pIC50": 7.57, "LE": 0.384, "potency_term": 0.858, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.239, "target_engagement": 0.858}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.063, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.475, "herg": 0.121, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.833694790678575, "aff_pf": -1.57424529393514, "aff_hs": -1.0954047838846843, "repeats_pf": {"runs": 3, "values": [-1.5738, -1.5501, -1.5988], "mean": -1.5742, "spread": 0.0487}, "repeats_hs": {"runs": 3, "values": [-1.1113, -1.0293, -1.1456], "mean": -1.0954, "spread": 0.1163}, "at": 1787046320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039495, "scored_at": 1787046320, "alerts": [], "rank": 1391}, {"candidate_id": "ODC-C080C6", "res_at": 1786866131, "skeleton": "LKNCUGWHXDOWMD", "hf_user": "choa712", "display_name": "LUCY-R3-06", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 55.177, "axes": {"activity": 11.66, "binding": 15.68, "selectivity": 12.43, "admet": 7.15, "novelty": 4.9, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 7.35, "LE": 0.458, "potency_term": 0.784, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.5, "selectivity_term": 0.793, "target_engagement": 0.784}, "admet": {"geometric_mean": 0.608, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.776, "cyp3a4-substrate-carbonmangels": 0.753, "ld50-zhu": 0.598, "herg": 0.642, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.29953923755192, "aff_pf": -1.3519643942515056, "aff_hs": 0.23334045708179474, "repeats_pf": {"runs": 3, "values": [-1.343, -1.3482, -1.3647], "mean": -1.352, "spread": 0.0216}, "repeats_hs": {"runs": 3, "values": [0.3796, 0.1615, 0.159], "mean": 0.2333, "spread": 0.2205}, "at": 1786866131}, "tier": 1, "relegate_reason": [], "submitted_at": 1786858564, "scored_at": 1786866131, "alerts": [], "rank": 1392}, {"candidate_id": "ODC-E292CB", "res_at": 1788915177, "skeleton": "LKDLTISTQYSGBS", "hf_user": "Bio-JS", "display_name": "0909-S1-10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 55.177, "axes": {"activity": 23.7, "binding": 13.36, "selectivity": 4.87, "admet": 5.41, "novelty": 4.44, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 6.022, "fraction": 0.79}, "binding": {"pIC50": 7.0, "LE": 0.355, "potency_term": 0.668, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.365, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.508, "cyp3a4-substrate-carbonmangels": 0.705, "ld50-zhu": 0.533, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 6.021773081351979, "aff_pf": -1.0037480592727661, "aff_hs": -0.2739347120126088, "repeats_pf": {"runs": 3, "values": [-1.0458, -0.9791, -0.9864], "mean": -1.0037, "spread": 0.0667}, "repeats_hs": {"runs": 3, "values": [-0.218, -0.2834, -0.3205], "mean": -0.2739, "spread": 0.1025}, "at": 1788915177}, "tier": 1, "alerts": [], "total_sd": 0.33, "total_ci95": [54.602, 55.868], "relegate_reason": [], "submitted_at": 1788902984, "scored_at": 1788915177, "rank": 1393}, {"candidate_id": "ODC-C22135", "res_at": 1787567219, "skeleton": "BHPJOFXMLQFOBG", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 55.171, "axes": {"activity": 17.43, "binding": 13.45, "selectivity": 13.73, "admet": 3.19, "novelty": 4.51, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.646, "fraction": 0.581}, "binding": {"pIC50": 7.21, "LE": 0.274, "potency_term": 0.736, "efficiency_cap": 0.914}, "selectivity": {"fold": 73.5, "selectivity_term": 0.933, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.365, "herg": 0.05, "dili": 0.264}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.646002575621172, "aff_pf": -1.2074283361434937, "aff_hs": 0.6588794191678365, "repeats_pf": {"runs": 3, "values": [-1.2873, -1.2841, -1.0509], "mean": -1.2074, "spread": 0.2363}, "repeats_hs": {"runs": 3, "values": [0.5626, 0.7097, 0.7043], "mean": 0.6589, "spread": 0.1472}, "at": 1787567219}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557302, "scored_at": 1787567219, "alerts": [], "rank": 1394}, {"candidate_id": "ODC-26213A", "res_at": 1789525613, "skeleton": "IXGFMYJEFQKBHV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 55.167, "axes": {"activity": 7.76, "binding": 17.26, "selectivity": 16.57, "admet": 4.57, "novelty": 5.67, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.066, "fraction": 0.259}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.863, "efficiency_cap": 1.0}, "selectivity": {"fold": 83.3, "selectivity_term": 0.96, "target_engagement": 0.863}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.106, "cyp3a4-substrate-carbonmangels": 0.486, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.065503178113692, "aff_pf": -1.5885598262151082, "aff_hs": 0.33192552129427594, "repeats_pf": {"runs": 3, "values": [-1.6283, -1.5763, -1.561], "mean": -1.5886, "spread": 0.0672}, "repeats_hs": {"runs": 3, "values": [0.2611, 0.3582, 0.3765], "mean": 0.3319, "spread": 0.1154}, "at": 1789525613}, "tier": 1, "alerts": [], "total_sd": 0.483, "total_ci95": [54.375, 56.161], "relegate_reason": [], "submitted_at": 1789524443, "scored_at": 1789525613, "rank": 1395}, {"candidate_id": "ODC-CF16DD", "res_at": 1787439941, "skeleton": "FAVAEKNCSYNCQB", "hf_user": "Ku-ku", "display_name": "Q3_core_NHMe", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNc1cc(··········nc2n1", "total": 55.162, "axes": {"activity": 22.64, "binding": 11.93, "selectivity": 6.92, "admet": 5.66, "novelty": 4.72, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.959, "fraction": 0.755}, "binding": {"pIC50": 6.79, "LE": 0.388, "potency_term": 0.597, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.58, "target_engagement": 0.597}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.749, "ld50-zhu": 0.368, "herg": 0.557, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.958641334093072, "aff_pf": -0.7895504832267761, "aff_hs": 0.3706411023934682, "repeats_pf": {"runs": 3, "values": [-0.7471, -0.7334, -0.8881], "mean": -0.7896, "spread": 0.1548}, "repeats_hs": {"runs": 3, "values": [0.367, 0.499, 0.2459], "mean": 0.3706, "spread": 0.253}, "at": 1787439941}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438799, "scored_at": 1787439941, "alerts": [], "rank": 1396}, {"candidate_id": "ODC-FCF902", "res_at": 1789901232, "skeleton": "JUBOMWIWPAIOBD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 55.161, "axes": {"activity": 20.0, "binding": 16.59, "selectivity": 4.09, "admet": 5.8, "novelty": 5.23, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.8, "fraction": 0.667}, "binding": {"pIC50": 7.49, "LE": 0.395, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.804, "ld50-zhu": 0.397, "herg": 0.234, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.799975547457907, "aff_pf": -1.4888987143834431, "aff_hs": -0.9956004420916239, "repeats_pf": {"runs": 3, "values": [-1.5863, -1.4016, -1.4788], "mean": -1.4889, "spread": 0.1847}, "repeats_hs": {"runs": 3, "values": [-0.7674, -1.1404, -1.079], "mean": -0.9956, "spread": 0.3729}, "at": 1789901232}, "tier": 1, "alerts": [], "total_sd": 1.232, "total_ci95": [52.788, 57.612], "relegate_reason": [], "submitted_at": 1789758197, "scored_at": 1789901232, "rank": 1397}, {"candidate_id": "ODC-FBE192", "res_at": 1786959857, "skeleton": "NPNQPNWAVOCQGV", "hf_user": "amadeus0710", "display_name": "tomato", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 55.155, "axes": {"activity": 13.62, "binding": 17.37, "selectivity": 10.18, "admet": 5.49, "novelty": 4.78, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 7.61, "LE": 0.417, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.586, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.394, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.417298535804252, "aff_pf": -1.6061766147613525, "aff_hs": -0.43396780888239544, "repeats_pf": {"runs": 3, "values": [-1.6156, -1.5214, -1.6816], "mean": -1.6062, "spread": 0.1602}, "repeats_hs": {"runs": 3, "values": [-0.376, -0.3639, -0.5619], "mean": -0.434, "spread": 0.198}, "at": 1786959857}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959112, "scored_at": 1786959857, "alerts": [], "rank": 1398}, {"candidate_id": "ODC-42D3AE", "res_at": 1789097439, "skeleton": "XWYAAJBCVWXDIT", "hf_user": "Ku-ku", "display_name": "KK-M-0911-495", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCC2F", "total": 55.148, "axes": {"activity": 18.21, "binding": 12.91, "selectivity": 12.2, "admet": 5.66, "novelty": 4.54, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.692, "fraction": 0.607}, "binding": {"pIC50": 6.94, "LE": 0.328, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 77.6, "selectivity_term": 0.945, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.548, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.799, "cyp3a4-substrate-carbonmangels": 0.219, "ld50-zhu": 0.553, "herg": 0.226, "dili": 0.282}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 4.22}}, "run": {"gpu": "0", "pAct_q10": 5.692382557452484, "aff_pf": -0.9362517992655436, "aff_hs": 0.9538744688034058, "repeats_pf": {"runs": 3, "values": [-0.9326, -0.9078, -0.9683], "mean": -0.9363, "spread": 0.0605}, "repeats_hs": {"runs": 3, "values": [0.9084, 1.0657, 0.8876], "mean": 0.9539, "spread": 0.1781}, "at": 1789097439}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.489, "total_ci95": [54.299, 56.088], "relegate_reason": [], "submitted_at": 1789089379, "scored_at": 1789097439, "rank": 1399}, {"candidate_id": "ODC-27ADD6", "res_at": 1788089501, "skeleton": "VFMQZHFWPJIBHF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.14, "axes": {"activity": 17.77, "binding": 16.53, "selectivity": 7.99, "admet": 5.36, "novelty": 3.92, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 7.48, "LE": 0.427, "potency_term": 0.827, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.483, "target_engagement": 0.827}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.758, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.251, "ld50-zhu": 0.4, "herg": 0.463, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.666242074398887, "aff_pf": -1.4797164996465046, "aff_hs": -0.5127504666646322, "repeats_pf": {"runs": 3, "values": [-1.5383, -1.4052, -1.4957], "mean": -1.4797, "spread": 0.1332}, "repeats_hs": {"runs": 3, "values": [-0.4451, -0.4073, -0.6858], "mean": -0.5128, "spread": 0.2785}, "at": 1788089501}, "tier": 1, "alerts": [], "total_sd": 0.924, "total_ci95": [53.319, 57.069], "relegate_reason": [], "submitted_at": 1788080503, "scored_at": 1788089501, "rank": 1400}, {"candidate_id": "ODC-8E5EEE", "res_at": 1787026778, "skeleton": "GXMMEPOJMJEFBH", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.134, "axes": {"activity": 17.67, "binding": 15.58, "selectivity": 8.82, "admet": 4.97, "novelty": 4.73, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.66, "fraction": 0.589}, "binding": {"pIC50": 7.34, "LE": 0.437, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.6, "selectivity_term": 0.566, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.464, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.659906414067372, "aff_pf": -1.3372381925582886, "aff_hs": -0.20522106190522513, "repeats_pf": {"runs": 3, "values": [-1.2815, -1.3538, -1.3765], "mean": -1.3372, "spread": 0.095}, "repeats_hs": {"runs": 3, "values": [-0.2806, -0.158, -0.1771], "mean": -0.2052, "spread": 0.1226}, "at": 1787026778}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025204, "scored_at": 1787026778, "alerts": [], "rank": 1401}, {"candidate_id": "ODC-3F2D93", "res_at": 1787558959, "skeleton": "LWHGONKZVQUZCY", "hf_user": "takutoyo", "display_name": "PfD16-11", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········2)n1C", "total": 55.128, "axes": {"activity": 21.58, "binding": 13.67, "selectivity": 9.63, "admet": 2.99, "novelty": 4.27, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.895, "fraction": 0.719}, "binding": {"pIC50": 7.05, "LE": 0.322, "potency_term": 0.683, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.683}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.202, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.401, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.894897087619441, "aff_pf": -1.0503192742665608, "aff_hs": 0.3586128254731496, "repeats_pf": {"runs": 3, "values": [-1.0585, -1.0347, -1.0578], "mean": -1.0503, "spread": 0.0238}, "repeats_hs": {"runs": 3, "values": [0.3032, 0.4949, 0.2778], "mean": 0.3586, "spread": 0.2171}, "at": 1787558959}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544119, "scored_at": 1787558959, "alerts": [], "rank": 1402}, {"candidate_id": "ODC-88FCEC", "res_at": 1787644837, "skeleton": "KYDWSQGNWKALEW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)C··········F)CC1", "total": 55.12, "axes": {"activity": 30.0, "binding": 8.21, "selectivity": 0.0, "admet": 7.78, "novelty": 7.8, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 6.466, "fraction": 1.0}, "binding": {"pIC50": 6.29, "LE": 0.287, "potency_term": 0.429, "efficiency_cap": 0.957}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.738, "cyp2c9-veith": 0.993, "cyp3a4-substrate-carbonmangels": 0.091, "ld50-zhu": 0.698, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.22, "novelty": 0.78}, "synthesis": {"sa_score": 5.08}}, "run": {"gpu": "3", "pAct_q10": 6.46557513376143, "aff_pf": -0.287382831176122, "aff_hs": -0.518048107624054, "repeats_pf": {"runs": 3, "values": [-0.2827, -0.2047, -0.3747], "mean": -0.2874, "spread": 0.17}, "repeats_hs": {"runs": 3, "values": [-0.3867, -0.6739, -0.4936], "mean": -0.518, "spread": 0.2872}, "at": 1787644837}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641245, "scored_at": 1787644837, "alerts": [], "rank": 1403}, {"candidate_id": "ODC-431FD1", "res_at": 1788428492, "skeleton": "SMWFYUAJCXTUHY", "hf_user": "Bio-JS", "display_name": "0903-S1-08 mF/cPr/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 55.119, "axes": {"activity": 20.02, "binding": 13.95, "selectivity": 11.1, "admet": 3.14, "novelty": 4.7, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.801, "fraction": 0.667}, "binding": {"pIC50": 7.27, "LE": 0.277, "potency_term": 0.756, "efficiency_cap": 0.922}, "selectivity": {"fold": 29.4, "selectivity_term": 0.734, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.36, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.274}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "0", "pAct_q10": 5.801226913713889, "aff_pf": -1.2691731452941895, "aff_hs": 0.19859720766544342, "repeats_pf": {"runs": 3, "values": [-1.2582, -1.2689, -1.2804], "mean": -1.2692, "spread": 0.0222}, "repeats_hs": {"runs": 3, "values": [0.1365, 0.2555, 0.2037], "mean": 0.1986, "spread": 0.119}, "at": 1788428492}, "tier": 1, "alerts": [], "total_sd": 0.249, "total_ci95": [54.65, 55.586], "relegate_reason": [], "submitted_at": 1788362727, "scored_at": 1788428492, "rank": 1404}, {"candidate_id": "ODC-32D02E", "res_at": 1786866852, "skeleton": "JUPZVHRZOJXTSZ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.098, "axes": {"activity": 14.21, "binding": 18.39, "selectivity": 9.36, "admet": 5.97, "novelty": 2.89, "synthesis": 4.28}, "detail": {"activity": {"pAct_q10": 5.452, "fraction": 0.474}, "binding": {"pIC50": 7.76, "LE": 0.462, "potency_term": 0.92, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.92}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.423, "herg": 0.518, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.4523346308371226, "aff_pf": -1.7592148383458455, "aff_hs": -0.7413621147473654, "repeats_pf": {"runs": 3, "values": [-1.7881, -1.7484, -1.7411], "mean": -1.7592, "spread": 0.047}, "repeats_hs": {"runs": 3, "values": [-0.6917, -0.8521, -0.6803], "mean": -0.7414, "spread": 0.1719}, "at": 1786866852}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859901, "scored_at": 1786866852, "alerts": [], "rank": 1405}, {"candidate_id": "ODC-030C54", "res_at": 1787250476, "skeleton": "SOJYUUQURGAFNR", "hf_user": "1Dmeds", "display_name": "ODC26-R15-28", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 55.095, "axes": {"activity": 21.03, "binding": 15.35, "selectivity": 6.09, "admet": 5.24, "novelty": 3.97, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.862, "fraction": 0.701}, "binding": {"pIC50": 7.3, "LE": 0.435, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.711, "ld50-zhu": 0.352, "herg": 0.934, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.86199920334216, "aff_pf": -1.3022892475128174, "aff_hs": -0.508386492729187, "repeats_pf": {"runs": 3, "values": [-1.4989, -1.0663, -1.3417], "mean": -1.3023, "spread": 0.4326}, "repeats_hs": {"runs": 3, "values": [-0.412, -0.5496, -0.5635], "mean": -0.5084, "spread": 0.1515}, "at": 1787250476}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242201, "scored_at": 1787250476, "alerts": [], "rank": 1406}, {"candidate_id": "ODC-B0B9FD", "res_at": 1789916986, "skeleton": "HAQCSUQOIXKDCT", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.089, "axes": {"activity": 15.08, "binding": 16.25, "selectivity": 11.96, "admet": 5.4, "novelty": 3.3, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.812, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.7, "selectivity_term": 0.736, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.487, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.497, "herg": 0.05, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.594, "novelty": 0.406}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "2", "pAct_q10": 5.504960905777184, "aff_pf": -1.4369754791259766, "aff_hs": 0.03517231345176697, "repeats_pf": {"runs": 3, "values": [-1.4387, -1.4602, -1.412], "mean": -1.437, "spread": 0.0483}, "repeats_hs": {"runs": 3, "values": [-0.0763, 0.0796, 0.1022], "mean": 0.0352, "spread": 0.1786}, "at": 1789916986}, "tier": 1, "alerts": [], "total_sd": 0.41, "total_ci95": [54.215, 55.909], "relegate_reason": [], "submitted_at": 1789889319, "scored_at": 1789916986, "rank": 1407}, {"candidate_id": "ODC-DF8615", "res_at": 1789060511, "skeleton": "NQEKWDIZBIDMMC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 55.073, "axes": {"activity": 16.17, "binding": 16.58, "selectivity": 8.8, "admet": 5.76, "novelty": 4.41, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.49, "LE": 0.41, "potency_term": 0.829, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.666, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.573, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.569924773362431, "aff_pf": -1.4875816504160564, "aff_hs": -0.4264454245567322, "repeats_pf": {"runs": 3, "values": [-1.5857, -1.3211, -1.5559], "mean": -1.4876, "spread": 0.2647}, "repeats_hs": {"runs": 3, "values": [-0.5271, -0.3897, -0.3625], "mean": -0.4264, "spread": 0.1646}, "at": 1789060511}, "tier": 1, "alerts": [], "total_sd": 1.726, "total_ci95": [51.252, 57.759], "relegate_reason": [], "submitted_at": 1789041455, "scored_at": 1789060511, "rank": 1408}, {"candidate_id": "ODC-A051BB", "res_at": 1787634299, "skeleton": "SKPNSPDZALATBV", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.066, "axes": {"activity": 15.62, "binding": 18.24, "selectivity": 7.85, "admet": 5.72, "novelty": 3.55, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.521}, "binding": {"pIC50": 7.74, "LE": 0.442, "potency_term": 0.912, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.912}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 0.477, "herg": 0.576, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.536938445674946, "aff_pf": -1.735348105430603, "aff_hs": -0.8739072879155477, "repeats_pf": {"runs": 3, "values": [-1.7707, -1.744, -1.6914], "mean": -1.7353, "spread": 0.0793}, "repeats_hs": {"runs": 3, "values": [-0.8662, -0.863, -0.8924], "mean": -0.8739, "spread": 0.0294}, "at": 1787634299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633762, "scored_at": 1787634299, "alerts": [], "rank": 1409}, {"candidate_id": "ODC-9F715F", "res_at": 1790024700, "skeleton": "LHSFKPKBTVHFOI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(O)(F··········cc1Br", "total": 55.056, "axes": {"activity": 18.62, "binding": 15.61, "selectivity": 8.71, "admet": 4.76, "novelty": 4.78, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.717, "fraction": 0.621}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.558, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.501, "herg": 0.315, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "2", "pAct_q10": 5.717293910156585, "aff_pf": -1.3420486847559612, "aff_hs": -0.22577749689420065, "repeats_pf": {"runs": 3, "values": [-1.312, -1.3233, -1.3908], "mean": -1.342, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [-0.2239, -0.2754, -0.1781], "mean": -0.2258, "spread": 0.0974}, "at": 1790024700}, "tier": 1, "alerts": [], "total_sd": 0.486, "total_ci95": [54.193, 56.339], "relegate_reason": [], "submitted_at": 1790008985, "scored_at": 1790024700, "rank": 1410}, {"candidate_id": "ODC-87C53E", "res_at": 1787050285, "skeleton": "KVNFBVOUCWZAER", "hf_user": "takutoyo", "display_name": "PfD6-A2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 55.043, "axes": {"activity": 15.87, "binding": 14.18, "selectivity": 14.18, "admet": 4.35, "novelty": 3.36, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.552, "fraction": 0.529}, "binding": {"pIC50": 7.13, "LE": 0.444, "potency_term": 0.709, "efficiency_cap": 1.0}, "selectivity": {"fold": 108.6, "selectivity_term": 1.0, "target_engagement": 0.709}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.455, "herg": 0.483, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.551975044211588, "aff_pf": -1.1270839373270671, "aff_hs": 0.908903181552887, "repeats_pf": {"runs": 3, "values": [-1.0866, -1.1601, -1.1346], "mean": -1.1271, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.8375, 1.0112, 0.878], "mean": 0.9089, "spread": 0.1737}, "at": 1787050285}, "tier": 1, "relegate_reason": [], "submitted_at": 1787046949, "scored_at": 1787050285, "alerts": [], "rank": 1411}, {"candidate_id": "ODC-ECD9F2", "res_at": 1787723633, "skeleton": "XJUXLIVBJGGYRK", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R2", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········1CCC2", "total": 55.008, "axes": {"activity": 21.22, "binding": 15.84, "selectivity": 4.78, "admet": 4.48, "novelty": 5.4, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.873, "fraction": 0.707}, "binding": {"pIC50": 7.38, "LE": 0.404, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.743, "ld50-zhu": 0.517, "herg": 0.087, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.87329978900233, "aff_pf": -1.3762335379918416, "aff_hs": -0.772853434085846, "repeats_pf": {"runs": 3, "values": [-1.4293, -1.4162, -1.2832], "mean": -1.3762, "spread": 0.1461}, "repeats_hs": {"runs": 3, "values": [-0.7917, -0.7587, -0.7682], "mean": -0.7729, "spread": 0.033}, "at": 1787723633}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719778, "scored_at": 1787723633, "alerts": [], "rank": 1412}, {"candidate_id": "ODC-4304B8", "res_at": 1786957996, "skeleton": "UJPOJLLIAVCUJF", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.978, "axes": {"activity": 19.54, "binding": 16.4, "selectivity": 5.91, "admet": 5.07, "novelty": 4.44, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.772, "fraction": 0.651}, "binding": {"pIC50": 7.46, "LE": 0.409, "potency_term": 0.82, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.36, "target_engagement": 0.82}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.65, "ld50-zhu": 0.662, "herg": 0.085, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 5.772300906553736, "aff_pf": -1.4604533116022747, "aff_hs": -0.7400176922480265, "repeats_pf": {"runs": 3, "values": [-1.5625, -1.4349, -1.3839], "mean": -1.4605, "spread": 0.1786}, "repeats_hs": {"runs": 3, "values": [-0.6742, -0.7641, -0.7817], "mean": -0.74, "spread": 0.1075}, "at": 1786957996}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957363, "scored_at": 1786957996, "alerts": [], "rank": 1413}, {"candidate_id": "ODC-FACB99", "res_at": 1789908270, "skeleton": "JENWOHYROSOQGG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.956, "axes": {"activity": 15.05, "binding": 16.7, "selectivity": 9.63, "admet": 6.29, "novelty": 3.27, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 7.51, "LE": 0.49, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.577, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.279, "ld50-zhu": 0.408, "herg": 0.469, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 5.5031203071866015, "aff_pf": -1.5050105253855388, "aff_hs": -0.35191691915194195, "repeats_pf": {"runs": 3, "values": [-1.494, -1.5529, -1.4681], "mean": -1.505, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [-0.3495, -0.3392, -0.367], "mean": -0.3519, "spread": 0.0278}, "at": 1789908270}, "tier": 1, "alerts": [], "total_sd": 0.525, "total_ci95": [54.141, 56.127], "relegate_reason": [], "submitted_at": 1789828731, "scored_at": 1789908270, "rank": 1414}, {"candidate_id": "ODC-307613", "res_at": 1788970295, "skeleton": "QOEWAJXJYIDWIC", "hf_user": "Ku-ku", "display_name": "KK-M-0910-670", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 54.955, "axes": {"activity": 26.73, "binding": 9.15, "selectivity": 5.02, "admet": 5.96, "novelty": 4.86, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 6.204, "fraction": 0.891}, "binding": {"pIC50": 6.41, "LE": 0.293, "potency_term": 0.469, "efficiency_cap": 0.975}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.469}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.562, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.63, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 6.2035132521433285, "aff_pf": -0.40733205278714496, "aff_hs": 0.6619828939437866, "repeats_pf": {"runs": 3, "values": [-0.4312, -0.3587, -0.4321], "mean": -0.4073, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [0.5651, 0.621, 0.7999], "mean": 0.662, "spread": 0.2348}, "at": 1788970295}, "tier": 1, "alerts": [], "total_sd": 0.424, "total_ci95": [54.201, 55.728], "relegate_reason": [], "submitted_at": 1788967916, "scored_at": 1788970295, "rank": 1415}, {"candidate_id": "ODC-712BDC", "res_at": 1789268530, "skeleton": "GYSCHXGKWXIJFD", "hf_user": "Ku-ku", "display_name": "KK-M-0913-602", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 54.935, "axes": {"activity": 29.91, "binding": 5.53, "selectivity": 2.44, "admet": 5.77, "novelty": 7.17, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.395, "fraction": 0.997}, "binding": {"pIC50": 5.97, "LE": 0.256, "potency_term": 0.324, "efficiency_cap": 0.852}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 0.984, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 6.394843391216571, "aff_pf": 0.027277857065200806, "aff_hs": 0.780958334604899, "repeats_pf": {"runs": 3, "values": [0.0305, 0.0084, 0.0429], "mean": 0.0273, "spread": 0.0346}, "repeats_hs": {"runs": 3, "values": [0.7976, 0.7753, 0.77], "mean": 0.781, "spread": 0.0277}, "at": 1789268530}, "tier": 1, "alerts": [], "total_sd": 0.101, "total_ci95": [54.743, 55.108], "relegate_reason": [], "submitted_at": 1789263742, "scored_at": 1789268530, "rank": 1416}, {"candidate_id": "ODC-D0CBC4", "res_at": 1786950548, "skeleton": "XEZBAFSGBFRGHB", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.93, "axes": {"activity": 18.05, "binding": 15.78, "selectivity": 8.38, "admet": 5.26, "novelty": 4.08, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.683, "fraction": 0.602}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.065, "cyp3a4-substrate-carbonmangels": 0.856, "ld50-zhu": 0.64, "herg": 0.28, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.683047126680615, "aff_pf": -1.366423765818278, "aff_hs": -0.30432183543841046, "repeats_pf": {"runs": 3, "values": [-1.3585, -1.3454, -1.3953], "mean": -1.3664, "spread": 0.05}, "repeats_hs": {"runs": 3, "values": [-0.3121, -0.3059, -0.295], "mean": -0.3043, "spread": 0.0171}, "at": 1786950548}, "tier": 1, "relegate_reason": [], "submitted_at": 1786939424, "scored_at": 1786950548, "alerts": [], "rank": 1417}, {"candidate_id": "ODC-2B04F4", "res_at": 1786876317, "skeleton": "RZWFFOOOTCUXGI", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 54.928, "axes": {"activity": 13.54, "binding": 15.01, "selectivity": 13.96, "admet": 5.33, "novelty": 3.87, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.413, "fraction": 0.451}, "binding": {"pIC50": 7.25, "LE": 0.432, "potency_term": 0.751, "efficiency_cap": 1.0}, "selectivity": {"fold": 72.4, "selectivity_term": 0.93, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.755, "ld50-zhu": 0.389, "herg": 0.587, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.412672254553641, "aff_pf": -1.251615325609843, "aff_hs": 0.6083625555038452, "repeats_pf": {"runs": 3, "values": [-1.246, -1.2482, -1.2606], "mean": -1.2516, "spread": 0.0146}, "repeats_hs": {"runs": 3, "values": [0.5976, 0.618, 0.6094], "mean": 0.6084, "spread": 0.0204}, "at": 1786876317}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867658, "scored_at": 1786876317, "alerts": [], "rank": 1418}, {"candidate_id": "ODC-5D60D9", "res_at": 1787048331, "skeleton": "NNIJGQSAJNZHJT", "hf_user": "ghost613", "display_name": "MAL-G3-02 SMe/5-Me/3-Cl-4-CF3", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.907, "axes": {"activity": 15.33, "binding": 16.75, "selectivity": 11.49, "admet": 4.71, "novelty": 2.63, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 5.52, "fraction": 0.511}, "binding": {"pIC50": 7.51, "LE": 0.429, "potency_term": 0.837, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.6, "selectivity_term": 0.686, "target_engagement": 0.837}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.869, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.541, "herg": 0.271, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.5197811925337295, "aff_pf": -1.5123896201451619, "aff_hs": -0.13992310067017874, "repeats_pf": {"runs": 3, "values": [-1.5971, -1.4771, -1.463], "mean": -1.5124, "spread": 0.1341}, "repeats_hs": {"runs": 3, "values": [-0.1183, -0.1914, -0.11], "mean": -0.1399, "spread": 0.0815}, "at": 1787048331}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043660, "scored_at": 1787048331, "alerts": [], "rank": 1419}, {"candidate_id": "ODC-1E8C66", "res_at": 1789576360, "skeleton": "MJZAXTBOPIQMFV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.902, "axes": {"activity": 19.07, "binding": 14.59, "selectivity": 10.09, "admet": 4.21, "novelty": 4.0, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.636}, "binding": {"pIC50": 7.19, "LE": 0.352, "potency_term": 0.729, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.2, "selectivity_term": 0.692, "target_engagement": 0.729}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.884, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.252, "ld50-zhu": 0.721, "herg": 0.061, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.744274429144644, "aff_pf": -1.1882002353668213, "aff_hs": 0.1949304242928823, "repeats_pf": {"runs": 3, "values": [-1.2162, -1.1737, -1.1747], "mean": -1.1882, "spread": 0.0425}, "repeats_hs": {"runs": 3, "values": [0.1589, 0.1829, 0.243], "mean": 0.1949, "spread": 0.084}, "at": 1789576360}, "tier": 1, "alerts": [], "total_sd": 0.307, "total_ci95": [54.38, 55.568], "relegate_reason": [], "submitted_at": 1789571869, "scored_at": 1789576360, "rank": 1420}, {"candidate_id": "ODC-AB9E67", "res_at": 1787245031, "skeleton": "HNRWOCOFSNJWDT", "hf_user": "1Dmeds", "display_name": "ODC26-R15-14", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.894, "axes": {"activity": 22.96, "binding": 13.42, "selectivity": 4.91, "admet": 5.6, "novelty": 4.99, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.977, "fraction": 0.765}, "binding": {"pIC50": 7.01, "LE": 0.384, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.366, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.492, "herg": 0.868, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.977377416797951, "aff_pf": -1.0133625268936157, "aff_hs": -0.2817283868789673, "repeats_pf": {"runs": 3, "values": [-1.069, -0.8937, -1.0775], "mean": -1.0134, "spread": 0.1838}, "repeats_hs": {"runs": 3, "values": [-0.3179, -0.2731, -0.2542], "mean": -0.2817, "spread": 0.0637}, "at": 1787245031}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238570, "scored_at": 1787245031, "alerts": [], "rank": 1421}, {"candidate_id": "ODC-B2D686", "res_at": 1787013902, "skeleton": "JEPCJLWQMPZACW", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········)CCC1", "total": 54.894, "axes": {"activity": 25.11, "binding": 10.47, "selectivity": 5.03, "admet": 5.16, "novelty": 5.83, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 6.65, "LE": 0.285, "potency_term": 0.551, "efficiency_cap": 0.95}, "selectivity": {"fold": 8.2, "selectivity_term": 0.456, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.451, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.1065222452336565, "aff_pf": -0.6537375847498575, "aff_hs": 0.2590141495068868, "repeats_pf": {"runs": 3, "values": [-0.7301, -0.4409, -0.7902], "mean": -0.6537, "spread": 0.3493}, "repeats_hs": {"runs": 3, "values": [0.2116, 0.3, 0.2655], "mean": 0.259, "spread": 0.0885}, "at": 1787013902}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013566, "scored_at": 1787013902, "alerts": [], "rank": 1422}, {"candidate_id": "ODC-451FE3", "res_at": 1789082738, "skeleton": "ZZRVMULDKJBASD", "hf_user": "trblnfxn", "display_name": "NC-ANIL-03_4CF3", "model_name": "Hermes-AnilineScan-v4", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.86, "axes": {"activity": 13.72, "binding": 16.43, "selectivity": 9.67, "admet": 6.69, "novelty": 4.26, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 5.423, "fraction": 0.457}, "binding": {"pIC50": 7.46, "LE": 0.465, "potency_term": 0.821, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.1, "selectivity_term": 0.589, "target_engagement": 0.821}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.416, "herg": 0.474, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "0", "pAct_q10": 5.423449448006179, "aff_pf": -1.4638354380925496, "aff_hs": -0.2862197558085124, "repeats_pf": {"runs": 3, "values": [-1.4788, -1.4451, -1.4676], "mean": -1.4638, "spread": 0.0337}, "repeats_hs": {"runs": 3, "values": [-0.1473, -0.3866, -0.3248], "mean": -0.2862, "spread": 0.2393}, "at": 1789082738}, "tier": 1, "alerts": [], "total_sd": 0.532, "total_ci95": [54.02, 56.001], "relegate_reason": [], "submitted_at": 1789053687, "scored_at": 1789082738, "rank": 1423}, {"candidate_id": "ODC-BD1045", "res_at": 1788967227, "skeleton": "PFRZFLQSVNTWQD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 54.857, "axes": {"activity": 12.27, "binding": 18.12, "selectivity": 11.39, "admet": 5.76, "novelty": 2.84, "synthesis": 4.48}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 7.72, "LE": 0.46, "potency_term": 0.906, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.906}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.459, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.637, "cyp2c9-veith": 0.346, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.539, "herg": 0.05, "dili": 0.142}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 5.336034655580041, "aff_pf": -1.7174466848373413, "aff_hs": -0.45979605118433636, "repeats_pf": {"runs": 3, "values": [-1.7296, -1.7283, -1.6944], "mean": -1.7174, "spread": 0.0351}, "repeats_hs": {"runs": 3, "values": [-0.4489, -0.5179, -0.4126], "mean": -0.4598, "spread": 0.1053}, "at": 1788967227}, "tier": 1, "alerts": [], "total_sd": 0.334, "total_ci95": [54.082, 55.466], "relegate_reason": [], "submitted_at": 1788963818, "scored_at": 1788967227, "rank": 1424}, {"candidate_id": "ODC-3C8A2E", "res_at": 1787726481, "skeleton": "BUQVTARAWQKSIY", "hf_user": "Moonweave", "display_name": "M5AI-P12-ME-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 54.844, "axes": {"activity": 15.51, "binding": 16.9, "selectivity": 10.31, "admet": 3.11, "novelty": 5.23, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.53, "fraction": 0.517}, "binding": {"pIC50": 7.53, "LE": 0.344, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.484}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.530309906709599, "aff_pf": -1.5348469416300456, "aff_hs": -0.3141716917355855, "repeats_pf": {"runs": 3, "values": [-1.5199, -1.4627, -1.622], "mean": -1.5348, "spread": 0.1593}, "repeats_hs": {"runs": 3, "values": [-0.267, -0.2596, -0.4159], "mean": -0.3142, "spread": 0.1562}, "at": 1787726481}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726016, "scored_at": 1787726481, "alerts": [], "rank": 1425}, {"candidate_id": "ODC-8598DC", "res_at": 1787573057, "skeleton": "JKAGFTDOXCAYPA", "hf_user": "Ku-ku", "display_name": "KK-M-0824-25", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········2)cc1", "total": 54.844, "axes": {"activity": 26.9, "binding": 9.95, "selectivity": 4.48, "admet": 3.34, "novelty": 6.14, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.214, "fraction": 0.897}, "binding": {"pIC50": 6.55, "LE": 0.289, "potency_term": 0.516, "efficiency_cap": 0.965}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.899, "ld50-zhu": 0.494, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 6.21388733625547, "aff_pf": -0.5479198098182678, "aff_hs": 0.3209289958079656, "repeats_pf": {"runs": 3, "values": [-0.5255, -0.5898, -0.5285], "mean": -0.5479, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [-0.0623, 0.5158, 0.5093], "mean": 0.3209, "spread": 0.5781}, "at": 1787573057}, "tier": 1, "relegate_reason": [], "submitted_at": 1787572123, "scored_at": 1787573057, "alerts": [], "rank": 1426}, {"candidate_id": "ODC-724FA6", "res_at": 1786932148, "skeleton": "KNLYPMCMNGNTQJ", "hf_user": "choa712", "display_name": "LUCY-P03", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 54.838, "axes": {"activity": 19.47, "binding": 14.59, "selectivity": 8.51, "admet": 4.86, "novelty": 4.49, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.768, "fraction": 0.649}, "binding": {"pIC50": 7.19, "LE": 0.379, "potency_term": 0.73, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.7, "selectivity_term": 0.583, "target_engagement": 0.73}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.347, "herg": 0.378, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.768481566963302, "aff_pf": -1.1885056893030803, "aff_hs": -0.021592091768980026, "repeats_pf": {"runs": 3, "values": [-1.2448, -1.1462, -1.1746], "mean": -1.1885, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [-0.3212, 0.3155, -0.0591], "mean": -0.0216, "spread": 0.6367}, "at": 1786932148}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925507, "scored_at": 1786932148, "alerts": [], "rank": 1427}, {"candidate_id": "ODC-2C0E58", "res_at": 1787174486, "skeleton": "WKAVAUIXGMIXAE", "hf_user": "1Dmeds", "display_name": "ODC26-FN-15", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 54.828, "axes": {"activity": 19.68, "binding": 15.77, "selectivity": 5.43, "admet": 5.96, "novelty": 4.58, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.781, "fraction": 0.656}, "binding": {"pIC50": 7.37, "LE": 0.42, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.339, "ld50-zhu": 0.454, "herg": 0.7, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.780536447014518, "aff_pf": -1.3655672073364258, "aff_hs": -0.6772222717603048, "repeats_pf": {"runs": 3, "values": [-1.3905, -1.3347, -1.3716], "mean": -1.3656, "spread": 0.0558}, "repeats_hs": {"runs": 3, "values": [-0.688, -0.6888, -0.6549], "mean": -0.6772, "spread": 0.0339}, "at": 1787174486}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171732, "scored_at": 1787174486, "alerts": [], "rank": 1428}, {"candidate_id": "ODC-DD5785", "res_at": 1789442096, "skeleton": "ZNUCIPFREMJMRP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.827, "axes": {"activity": 12.82, "binding": 16.47, "selectivity": 12.16, "admet": 5.89, "novelty": 4.25, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.369, "fraction": 0.427}, "binding": {"pIC50": 7.47, "LE": 0.426, "potency_term": 0.823, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.0, "selectivity_term": 0.738, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.474, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.41, "herg": 0.147, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.369423616410988, "aff_pf": -1.4704493681589763, "aff_hs": 0.006368716557820638, "repeats_pf": {"runs": 3, "values": [-1.4449, -1.4373, -1.5291], "mean": -1.4704, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [-0.0262, 0.091, -0.0457], "mean": 0.0064, "spread": 0.1367}, "at": 1789442096}, "tier": 1, "alerts": [], "total_sd": 0.773, "total_ci95": [53.687, 56.648], "relegate_reason": [], "submitted_at": 1789436086, "scored_at": 1789442096, "rank": 1429}, {"candidate_id": "ODC-AB31DA", "res_at": 1787445737, "skeleton": "ODSCRNSGGZRDED", "hf_user": "Ku-ku", "display_name": "KK-M-0823-08", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.824, "axes": {"activity": 14.19, "binding": 15.61, "selectivity": 12.06, "admet": 5.89, "novelty": 3.55, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.451, "fraction": 0.473}, "binding": {"pIC50": 7.34, "LE": 0.457, "potency_term": 0.78, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.1, "selectivity_term": 0.773, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.477, "ld50-zhu": 0.456, "herg": 0.393, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.451130056984718, "aff_pf": -1.3407717148462932, "aff_hs": 0.20461618900299072, "repeats_pf": {"runs": 3, "values": [-1.3905, -1.3744, -1.2574], "mean": -1.3408, "spread": 0.133}, "repeats_hs": {"runs": 3, "values": [0.237, 0.217, 0.1599], "mean": 0.2046, "spread": 0.0771}, "at": 1787445737}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443770, "scored_at": 1787445737, "alerts": [], "rank": 1430}, {"candidate_id": "ODC-D09FAB", "res_at": 1786894198, "skeleton": "CZWMTSQQMONCMK", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 54.822, "axes": {"activity": 23.6, "binding": 14.59, "selectivity": 3.73, "admet": 4.54, "novelty": 5.06, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 6.016, "fraction": 0.787}, "binding": {"pIC50": 7.19, "LE": 0.365, "potency_term": 0.729, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.256, "target_engagement": 0.729}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.894, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 6.015912282710678, "aff_pf": -1.188000241915385, "aff_hs": -0.676738957564036, "repeats_pf": {"runs": 3, "values": [-1.2982, -1.1243, -1.1415], "mean": -1.188, "spread": 0.1739}, "repeats_hs": {"runs": 3, "values": [-0.7896, -0.4256, -0.8151], "mean": -0.6767, "spread": 0.3895}, "at": 1786894198}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879605, "scored_at": 1786894198, "alerts": [], "rank": 1431}, {"candidate_id": "ODC-5F50CD", "res_at": 1788149591, "skeleton": "FUTQBYLHDWVZFY", "hf_user": "Bio-JS", "display_name": "M2 C2 곁사슬 S-프로파길", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#CCSc1··········)n2n1", "total": 54.807, "axes": {"activity": 13.39, "binding": 17.59, "selectivity": 9.98, "admet": 5.3, "novelty": 4.61, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.446}, "binding": {"pIC50": 7.64, "LE": 0.455, "potency_term": 0.879, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.467, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.403698214437547, "aff_pf": -1.6381161610285442, "aff_hs": -0.5027831395467123, "repeats_pf": {"runs": 3, "values": [-1.6822, -1.5107, -1.7215], "mean": -1.6381, "spread": 0.2108}, "repeats_hs": {"runs": 3, "values": [-0.492, -0.5282, -0.4881], "mean": -0.5028, "spread": 0.0401}, "at": 1788149591}, "tier": 1, "alerts": [], "total_sd": 1.209, "total_ci95": [52.989, 56.873], "relegate_reason": [], "submitted_at": 1788139378, "scored_at": 1788149591, "rank": 1432}, {"candidate_id": "ODC-2B502A", "res_at": 1789621862, "skeleton": "ZGHWSTXFHGFZFI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.796, "axes": {"activity": 20.67, "binding": 14.4, "selectivity": 8.45, "admet": 4.72, "novelty": 3.27, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.84, "fraction": 0.689}, "binding": {"pIC50": 7.16, "LE": 0.392, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.35, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.338, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.840100954152924, "aff_pf": -1.1594407955805461, "aff_hs": 0.014504452546437582, "repeats_pf": {"runs": 3, "values": [-1.0725, -1.2057, -1.2001], "mean": -1.1594, "spread": 0.1332}, "repeats_hs": {"runs": 3, "values": [0.2005, 0.1643, -0.3213], "mean": 0.0145, "spread": 0.5218}, "at": 1789621862}, "tier": 1, "alerts": [], "total_sd": 1.266, "total_ci95": [52.378, 57.101], "relegate_reason": [], "submitted_at": 1789619026, "scored_at": 1789621862, "rank": 1433}, {"candidate_id": "ODC-B99B2C", "res_at": 1789340554, "skeleton": "XWDRUHQKAKVYJJ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.776, "axes": {"activity": 22.94, "binding": 12.68, "selectivity": 5.22, "admet": 5.67, "novelty": 5.17, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.977, "fraction": 0.765}, "binding": {"pIC50": 6.9, "LE": 0.364, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.411, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.417, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.426, "herg": 0.418, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.976690392449791, "aff_pf": -0.9024794300397238, "aff_hs": -0.0795454407731692, "repeats_pf": {"runs": 3, "values": [-0.9164, -0.9213, -0.8697], "mean": -0.9025, "spread": 0.0516}, "repeats_hs": {"runs": 3, "values": [-0.2162, 0.0169, -0.0394], "mean": -0.0795, "spread": 0.233}, "at": 1789340554}, "tier": 1, "alerts": [], "total_sd": 0.433, "total_ci95": [54.018, 55.612], "relegate_reason": [], "submitted_at": 1789330431, "scored_at": 1789340554, "rank": 1434}, {"candidate_id": "ODC-A217E1", "res_at": 1789526288, "skeleton": "HYNAVMSCWJDARL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.768, "axes": {"activity": 10.41, "binding": 16.84, "selectivity": 14.69, "admet": 4.69, "novelty": 4.6, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 7.53, "LE": 0.397, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.6, "selectivity_term": 0.873, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.638, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.224776285186061, "aff_pf": -1.5252957344055176, "aff_hs": 0.21991566816965738, "repeats_pf": {"runs": 3, "values": [-1.5614, -1.5702, -1.4443], "mean": -1.5253, "spread": 0.1259}, "repeats_hs": {"runs": 3, "values": [0.0732, 0.3806, 0.2059], "mean": 0.2199, "spread": 0.3073}, "at": 1789526288}, "tier": 1, "alerts": [], "total_sd": 1.024, "total_ci95": [52.686, 56.664], "relegate_reason": [], "submitted_at": 1789524517, "scored_at": 1789526288, "rank": 1435}, {"candidate_id": "ODC-477952", "res_at": 1788776719, "skeleton": "CGIAJNLJLYJSQE", "hf_user": "Bio-JS", "display_name": "0906-S1-27 SCHF2/CN/R6-H/p-SCHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.736, "axes": {"activity": 18.69, "binding": 16.31, "selectivity": 6.69, "admet": 4.88, "novelty": 4.97, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 7.45, "LE": 0.378, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.41, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.561, "herg": 0.192, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.721161810136032, "aff_pf": -1.4458022912343342, "aff_hs": -0.625016431013743, "repeats_pf": {"runs": 3, "values": [-1.4227, -1.4347, -1.48], "mean": -1.4458, "spread": 0.0572}, "repeats_hs": {"runs": 3, "values": [-0.5663, -0.6731, -0.6356], "mean": -0.625, "spread": 0.1068}, "at": 1788776719}, "tier": 1, "alerts": [], "total_sd": 0.379, "total_ci95": [54.108, 55.522], "relegate_reason": [], "submitted_at": 1788666094, "scored_at": 1788776719, "rank": 1436}, {"candidate_id": "ODC-19C245", "res_at": 1787185218, "skeleton": "KQKNKPMVXRNVIS", "hf_user": "Ku-ku", "display_name": "C6_5Cl_SCH2F_Br3Cl", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 54.721, "axes": {"activity": 12.8, "binding": 16.72, "selectivity": 11.23, "admet": 5.55, "novelty": 4.88, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 7.51, "LE": 0.468, "potency_term": 0.836, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.1, "selectivity_term": 0.672, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.758, "ld50-zhu": 0.594, "herg": 0.512, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.368123082643116, "aff_pf": -1.5084238449732463, "aff_hs": -0.16484184811512628, "repeats_pf": {"runs": 3, "values": [-1.469, -1.5215, -1.5347], "mean": -1.5084, "spread": 0.0657}, "repeats_hs": {"runs": 3, "values": [-0.181, -0.1897, -0.1237], "mean": -0.1648, "spread": 0.066}, "at": 1787185218}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184048, "scored_at": 1787185218, "alerts": [], "rank": 1437}, {"candidate_id": "ODC-CE44AB", "res_at": 1786791107, "skeleton": "HOTDSHUZUQSKJD", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "omo-Claude-plus-local-gate-screen", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.676, "axes": {"activity": 17.31, "binding": 16.18, "selectivity": 10.12, "admet": 5.26, "novelty": 2.14, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 7.43, "LE": 0.391, "potency_term": 0.809, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.625, "target_engagement": 0.809}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.388, "cyp3a4-substrate-carbonmangels": 0.269, "ld50-zhu": 0.368, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.736, "novelty": 0.264}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.638602143429811, "aff_pf": -1.4264194965362549, "aff_hs": -0.17575194438298544, "repeats_pf": {"runs": 3, "values": [-1.4027, -1.4154, -1.4611], "mean": -1.4264, "spread": 0.0583}, "repeats_hs": {"runs": 3, "values": [-0.2563, -0.1002, -0.1707], "mean": -0.1758, "spread": 0.1561}, "at": 1786791107}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782917, "scored_at": 1786791107, "alerts": [], "rank": 1438}, {"candidate_id": "ODC-F6CA90", "res_at": 1789525146, "skeleton": "RDHYWZWVUUZZHC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.663, "axes": {"activity": 11.8, "binding": 19.03, "selectivity": 10.25, "admet": 5.47, "novelty": 3.81, "synthesis": 4.29}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 7.86, "LE": 0.468, "potency_term": 0.952, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.539, "target_engagement": 0.952}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.811, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.30827587598561, "aff_pf": -1.8551063934961955, "aff_hs": -0.7777082522710165, "repeats_pf": {"runs": 3, "values": [-1.8796, -1.8578, -1.8279], "mean": -1.8551, "spread": 0.0517}, "repeats_hs": {"runs": 3, "values": [-0.975, -0.6727, -0.6855], "mean": -0.7777, "spread": 0.3023}, "at": 1789525146}, "tier": 1, "alerts": [], "total_sd": 0.787, "total_ci95": [53.024, 56.052], "relegate_reason": [], "submitted_at": 1789524406, "scored_at": 1789525146, "rank": 1439}, {"candidate_id": "ODC-E92A10", "res_at": 1789973517, "skeleton": "GRSXMDQMOUYAAG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.643, "axes": {"activity": 17.07, "binding": 14.54, "selectivity": 10.73, "admet": 4.65, "novelty": 4.41, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.624, "fraction": 0.569}, "binding": {"pIC50": 7.18, "LE": 0.447, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.9, "selectivity_term": 0.738, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.942, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.592, "ld50-zhu": 0.395, "herg": 0.154, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.624444250078247, "aff_pf": -1.1813956499099731, "aff_hs": 0.2948366204897563, "repeats_pf": {"runs": 3, "values": [-1.2841, -1.1444, -1.1157], "mean": -1.1814, "spread": 0.1684}, "repeats_hs": {"runs": 3, "values": [0.2983, 0.3207, 0.2656], "mean": 0.2948, "spread": 0.0551}, "at": 1789973517}, "tier": 1, "alerts": [], "total_sd": 1.145, "total_ci95": [53.072, 57.22], "relegate_reason": [], "submitted_at": 1789949305, "scored_at": 1789973517, "rank": 1440}, {"candidate_id": "ODC-71BD33", "res_at": 1786882864, "skeleton": "BSEWTGZJHCBZTC", "hf_user": "choa712", "display_name": "choa712", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.637, "axes": {"activity": 25.83, "binding": 9.81, "selectivity": 2.63, "admet": 7.64, "novelty": 5.14, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.15, "fraction": 0.861}, "binding": {"pIC50": 6.47, "LE": 0.385, "potency_term": 0.491, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.491}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.884, "cyp3a4-substrate-carbonmangels": 0.618, "ld50-zhu": 0.505, "herg": 0.676, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.149875930910107, "aff_pf": -0.4715108374754588, "aff_hs": 0.06495372702678044, "repeats_pf": {"runs": 3, "values": [-0.4074, -0.5432, -0.4639], "mean": -0.4715, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [0.1104, -0.0623, 0.1468], "mean": 0.065, "spread": 0.2091}, "at": 1786882864}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874064, "scored_at": 1786882864, "alerts": [], "rank": 1441}, {"candidate_id": "ODC-C99E3A", "res_at": 1786903052, "skeleton": "RWBUNGRTQZMCIO", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········nc2n1", "total": 54.635, "axes": {"activity": 20.18, "binding": 11.85, "selectivity": 10.03, "admet": 5.53, "novelty": 4.27, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.811, "fraction": 0.673}, "binding": {"pIC50": 6.78, "LE": 0.404, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.3, "selectivity_term": 0.846, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.487, "herg": 0.822, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.8108327262057236, "aff_pf": -0.7772268652915955, "aff_hs": 0.9156570235888163, "repeats_pf": {"runs": 3, "values": [-0.7488, -0.8176, -0.7653], "mean": -0.7772, "spread": 0.0688}, "repeats_hs": {"runs": 3, "values": [0.9146, 0.9123, 0.9201], "mean": 0.9157, "spread": 0.0077}, "at": 1786903052}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899515, "scored_at": 1786903052, "alerts": [], "rank": 1442}, {"candidate_id": "ODC-FE71F0", "res_at": 1787083552, "skeleton": "RYAAUVDVXUMPON", "hf_user": "1Dmeds", "display_name": "ODC26-MB-31", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.626, "axes": {"activity": 20.31, "binding": 13.3, "selectivity": 8.84, "admet": 5.25, "novelty": 4.11, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.818, "fraction": 0.677}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.678, "cyp3a4-substrate-carbonmangels": 0.575, "ld50-zhu": 0.308, "herg": 0.562, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.81845847884768, "aff_pf": -0.9948934117952982, "aff_hs": 0.3345545331637065, "repeats_pf": {"runs": 3, "values": [-1.0121, -1.0383, -0.9343], "mean": -0.9949, "spread": 0.1039}, "repeats_hs": {"runs": 3, "values": [0.3382, 0.3122, 0.3533], "mean": 0.3346, "spread": 0.0411}, "at": 1787083552}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069822, "scored_at": 1787083552, "alerts": [], "rank": 1443}, {"candidate_id": "ODC-650D44", "res_at": 1786765188, "skeleton": "QGOWIQLXOXINGA", "hf_user": "ProPerNounpYK", "display_name": "YoungphilKIM", "model_name": "GLM5.3", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Cl)c(F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 54.6, "axes": {"activity": 12.95, "binding": 16.33, "selectivity": 13.49, "admet": 5.83, "novelty": 2.16, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.9, "selectivity_term": 0.826, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.641, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.221, "herg": 0.68, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.736, "novelty": 0.264}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.377038154093557, "aff_pf": -1.44878351688385, "aff_hs": 0.2033691555261612, "at": 1786765188}, "tier": 1, "relegate_reason": [], "submitted_at": 1786764587, "scored_at": 1786765188, "alerts": [], "rank": 1444}, {"candidate_id": "ODC-BF1A38", "res_at": 1786875801, "skeleton": "NBIVTODSQNHIPT", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 54.578, "axes": {"activity": 11.57, "binding": 15.43, "selectivity": 13.74, "admet": 6.07, "novelty": 4.73, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.386}, "binding": {"pIC50": 7.31, "LE": 0.455, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.4, "selectivity_term": 0.891, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.781, "ld50-zhu": 0.467, "herg": 0.71, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.294389502726433, "aff_pf": -1.3144030173619587, "aff_hs": 0.46661434570948285, "repeats_pf": {"runs": 3, "values": [-1.335, -1.2821, -1.3261], "mean": -1.3144, "spread": 0.0528}, "repeats_hs": {"runs": 3, "values": [0.4405, 0.4729, 0.4864], "mean": 0.4666, "spread": 0.0459}, "at": 1786875801}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867983, "scored_at": 1786875801, "alerts": [], "rank": 1445}, {"candidate_id": "ODC-97A3D4", "res_at": 1786864419, "skeleton": "ZXFNDBUYQFCDQK", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 54.576, "axes": {"activity": 11.79, "binding": 18.58, "selectivity": 9.91, "admet": 6.56, "novelty": 4.17, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 7.79, "LE": 0.41, "potency_term": 0.929, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.533, "target_engagement": 0.929}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.54, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.539, "herg": 0.488, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "2", "pAct_q10": 5.30729655523291, "aff_pf": -1.7874704599380493, "aff_hs": -0.7212097843488058, "repeats_pf": {"runs": 3, "values": [-1.7902, -1.7053, -1.8669], "mean": -1.7875, "spread": 0.1616}, "repeats_hs": {"runs": 3, "values": [-0.7235, -0.7226, -0.7175], "mean": -0.7212, "spread": 0.006}, "at": 1786864419}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855392, "scored_at": 1786864419, "alerts": [], "rank": 1446}, {"candidate_id": "ODC-126BB3", "res_at": 1787489265, "skeleton": "HQZXUCUGKZUTQV", "hf_user": "Ku-ku", "display_name": "KK-M-0823-52", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 54.575, "axes": {"activity": 9.72, "binding": 17.86, "selectivity": 12.38, "admet": 5.25, "novelty": 5.73, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 7.68, "LE": 0.405, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.3, "selectivity_term": 0.693, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.496, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.849, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.533, "ld50-zhu": 0.682, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.183119110476778, "aff_pf": -1.6790199279785156, "aff_hs": -0.2927437126636505, "repeats_pf": {"runs": 3, "values": [-1.6215, -1.6248, -1.7908], "mean": -1.679, "spread": 0.1694}, "repeats_hs": {"runs": 3, "values": [-0.2971, -0.2926, -0.2885], "mean": -0.2927, "spread": 0.0085}, "at": 1787489265}, "tier": 1, "relegate_reason": [], "submitted_at": 1787488791, "scored_at": 1787489265, "alerts": [], "rank": 1447}, {"candidate_id": "ODC-867F1D", "res_at": 1789536915, "skeleton": "IQCCQPARBXGBCP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCc1cc··········cc1Cl", "total": 54.573, "axes": {"activity": 17.13, "binding": 17.28, "selectivity": 6.12, "admet": 5.18, "novelty": 5.37, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.864, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.354, "target_engagement": 0.864}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.612, "ld50-zhu": 0.568, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.627813393158575, "aff_pf": -1.5921738147735596, "aff_hs": -0.8836897810300192, "repeats_pf": {"runs": 3, "values": [-1.4852, -1.5903, -1.7011], "mean": -1.5922, "spread": 0.2159}, "repeats_hs": {"runs": 3, "values": [-0.9198, -0.8571, -0.8742], "mean": -0.8837, "spread": 0.0626}, "at": 1789536915}, "tier": 1, "alerts": [], "total_sd": 1.138, "total_ci95": [52.142, 56.939], "relegate_reason": [], "submitted_at": 1789525102, "scored_at": 1789536915, "rank": 1448}, {"candidate_id": "ODC-0E6B3C", "res_at": 1787546614, "skeleton": "QFRSTHBNMFTFQS", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 54.562, "axes": {"activity": 20.72, "binding": 11.09, "selectivity": 11.8, "admet": 3.38, "novelty": 4.54, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.843, "fraction": 0.691}, "binding": {"pIC50": 6.86, "LE": 0.268, "potency_term": 0.62, "efficiency_cap": 0.895}, "selectivity": {"fold": 80.1, "selectivity_term": 0.952, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.192, "cyp3a4-substrate-carbonmangels": 0.098, "ld50-zhu": 0.579, "herg": 0.05, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.843355454045702, "aff_pf": -0.858897070089976, "aff_hs": 1.0447846253712971, "repeats_pf": {"runs": 3, "values": [-0.8111, -0.6832, -1.0823], "mean": -0.8589, "spread": 0.3991}, "repeats_hs": {"runs": 3, "values": [0.9946, 1.0703, 1.0694], "mean": 1.0448, "spread": 0.0757}, "at": 1787546614}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523331, "scored_at": 1787546614, "alerts": [], "rank": 1449}, {"candidate_id": "ODC-E74AB6", "res_at": 1788329062, "skeleton": "ZWLZWCACHHTSOY", "hf_user": "Bio-JS", "display_name": "0902C-S1-EB4", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 54.56, "axes": {"activity": 17.49, "binding": 15.19, "selectivity": 10.21, "admet": 3.48, "novelty": 5.32, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.649, "fraction": 0.583}, "binding": {"pIC50": 7.47, "LE": 0.277, "potency_term": 0.824, "efficiency_cap": 0.922}, "selectivity": {"fold": 17.4, "selectivity_term": 0.62, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.396, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.575, "herg": 0.05, "dili": 0.25}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.649379847206356, "aff_pf": -1.4706204334894817, "aff_hs": -0.23073641955852509, "repeats_pf": {"runs": 3, "values": [-1.399, -1.498, -1.5149], "mean": -1.4706, "spread": 0.1159}, "repeats_hs": {"runs": 3, "values": [-0.2957, -0.1746, -0.2219], "mean": -0.2307, "spread": 0.1211}, "at": 1788329062}, "tier": 1, "alerts": [], "total_sd": 0.913, "total_ci95": [52.663, 55.942], "relegate_reason": [], "submitted_at": 1788327308, "scored_at": 1788329062, "rank": 1450}, {"candidate_id": "ODC-4A0028", "res_at": 1789897103, "skeleton": "BSIUMKMCBIVNNL", "hf_user": "Ku-ku", "display_name": "KK-M-0918-083", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1OCC2", "total": 54.552, "axes": {"activity": 12.42, "binding": 15.33, "selectivity": 10.78, "admet": 8.19, "novelty": 5.29, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.345, "fraction": 0.414}, "binding": {"pIC50": 7.3, "LE": 0.4, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.5, "selectivity_term": 0.703, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.712, "per_endpoint": {"solubility-aqsoldb": 0.822, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.95, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.637, "herg": 0.965, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.3449681628252526, "aff_pf": -1.3000942866007488, "aff_hs": 0.10569043457508087, "repeats_pf": {"runs": 3, "values": [-1.3301, -1.2767, -1.2935], "mean": -1.3001, "spread": 0.0533}, "repeats_hs": {"runs": 3, "values": [0.0903, 0.0338, 0.193], "mean": 0.1057, "spread": 0.1591}, "at": 1789897103}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.461, "total_ci95": [53.687, 55.69], "relegate_reason": [], "submitted_at": 1789664230, "scored_at": 1789897103, "rank": 1451}, {"candidate_id": "ODC-93F7E3", "res_at": 1787871738, "skeleton": "XTWVLHBOOKOPFO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 54.549, "axes": {"activity": 20.33, "binding": 16.61, "selectivity": 5.49, "admet": 3.93, "novelty": 4.75, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.82, "fraction": 0.678}, "binding": {"pIC50": 7.49, "LE": 0.395, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.065, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.51, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.819798071449625, "aff_pf": -1.4918936093648274, "aff_hs": -0.8306810657183329, "repeats_pf": {"runs": 3, "values": [-1.4425, -1.4774, -1.5558], "mean": -1.4919, "spread": 0.1133}, "repeats_hs": {"runs": 3, "values": [-1.0274, -1.1218, -0.3428], "mean": -0.8307, "spread": 0.779}, "at": 1787860155}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806860, "scored_at": 1787860155, "alerts": [], "rank": 1452}, {"candidate_id": "ODC-04B535", "res_at": 1788762740, "skeleton": "KTQPFCNZLAEVRR", "hf_user": "Bio-JS", "display_name": "0906-S1-04 SMe/CN/R6-H/p-SCHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.549, "axes": {"activity": 17.28, "binding": 15.96, "selectivity": 8.79, "admet": 5.11, "novelty": 4.12, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 7.39, "LE": 0.405, "potency_term": 0.798, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.551, "target_engagement": 0.798}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.374, "ld50-zhu": 0.572, "herg": 0.546, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.6366833059079156, "aff_pf": -1.3941831191380818, "aff_hs": -0.2924784719944, "repeats_pf": {"runs": 3, "values": [-1.3714, -1.3749, -1.4363], "mean": -1.3942, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [-0.271, -0.3177, -0.2887], "mean": -0.2925, "spread": 0.0466}, "at": 1788762740}, "tier": 1, "alerts": [], "total_sd": 0.428, "total_ci95": [53.918, 55.577], "relegate_reason": [], "submitted_at": 1788665885, "scored_at": 1788762740, "rank": 1453}, {"candidate_id": "ODC-F53B6E", "res_at": 1788154019, "skeleton": "GWRWLXDNPKWXRG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-10]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 54.535, "axes": {"activity": 21.67, "binding": 14.79, "selectivity": 6.59, "admet": 3.77, "novelty": 4.78, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.9, "fraction": 0.722}, "binding": {"pIC50": 7.22, "LE": 0.353, "potency_term": 0.739, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.882, "ld50-zhu": 0.92, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.900024047989878, "aff_pf": -1.2182154655456543, "aff_hs": -0.32703957955042523, "repeats_pf": {"runs": 3, "values": [-1.3584, -1.1007, -1.1955], "mean": -1.2182, "spread": 0.2576}, "repeats_hs": {"runs": 3, "values": [-0.4743, -0.0304, -0.4765], "mean": -0.327, "spread": 0.4461}, "at": 1788154019}, "tier": 1, "alerts": [], "total_sd": 1.682, "total_ci95": [51.772, 57.719], "relegate_reason": [], "submitted_at": 1788139480, "scored_at": 1788154019, "rank": 1454}, {"candidate_id": "ODC-6B3465", "res_at": 1787008254, "skeleton": "HXFIPDHONILIII", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab 30-cap shortlist", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.534, "axes": {"activity": 11.88, "binding": 15.84, "selectivity": 12.59, "admet": 6.77, "novelty": 4.16, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.313, "fraction": 0.396}, "binding": {"pIC50": 7.38, "LE": 0.421, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.9, "selectivity_term": 0.795, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.665, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.647, "herg": 0.326, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.313041226465239, "aff_pf": -1.3762195110321045, "aff_hs": 0.2136941651503245, "repeats_pf": {"runs": 3, "values": [-1.3749, -1.4004, -1.3533], "mean": -1.3762, "spread": 0.0471}, "repeats_hs": {"runs": 3, "values": [0.1843, 0.2761, 0.1808], "mean": 0.2137, "spread": 0.0953}, "at": 1787008254}, "tier": 1, "relegate_reason": [], "submitted_at": 1787008076, "scored_at": 1787008254, "alerts": [], "rank": 1455}, {"candidate_id": "ODC-029A54", "res_at": 1789437472, "skeleton": "UCDQSMNJXXKXIU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCc1cc··········)cc1F", "total": 54.53, "axes": {"activity": 10.24, "binding": 17.51, "selectivity": 11.48, "admet": 6.25, "novelty": 5.66, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.214, "fraction": 0.341}, "binding": {"pIC50": 7.63, "LE": 0.418, "potency_term": 0.876, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.655, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.53, "cyp3a4-substrate-carbonmangels": 0.361, "ld50-zhu": 0.538, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.214210408879349, "aff_pf": -1.62650732199351, "aff_hs": -0.31563107172648114, "repeats_pf": {"runs": 3, "values": [-1.5885, -1.6096, -1.6814], "mean": -1.6265, "spread": 0.0929}, "repeats_hs": {"runs": 3, "values": [-0.3256, -0.3357, -0.2856], "mean": -0.3156, "spread": 0.0501}, "at": 1789437472}, "tier": 1, "alerts": [], "total_sd": 0.605, "total_ci95": [53.625, 55.947], "relegate_reason": [], "submitted_at": 1789435411, "scored_at": 1789437472, "rank": 1456}, {"candidate_id": "ODC-E41659", "res_at": 1786898278, "skeleton": "DUBDZXOFOXHRGC", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.524, "axes": {"activity": 5.69, "binding": 17.95, "selectivity": 15.5, "admet": 6.46, "novelty": 5.27, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 4.941, "fraction": 0.19}, "binding": {"pIC50": 7.69, "LE": 0.458, "potency_term": 0.897, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.4, "selectivity_term": 0.864, "target_engagement": 0.897}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.527, "herg": 0.715, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "2", "pAct_q10": 4.941402598643016, "aff_pf": -1.692071835199992, "aff_hs": 0.035239471743504204, "repeats_pf": {"runs": 3, "values": [-1.7108, -1.6674, -1.698], "mean": -1.6921, "spread": 0.0434}, "repeats_hs": {"runs": 3, "values": [0.0347, 0.0252, 0.0458], "mean": 0.0352, "spread": 0.0206}, "at": 1786898278}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892721, "scored_at": 1786898278, "alerts": [], "rank": 1457}, {"candidate_id": "ODC-BDB927", "res_at": 1787082029, "skeleton": "ONLUTOUEAIUUOU", "hf_user": "1Dmeds", "display_name": "ODC26-MB-07", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.515, "axes": {"activity": 21.1, "binding": 14.85, "selectivity": 6.45, "admet": 5.49, "novelty": 3.08, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.866, "fraction": 0.703}, "binding": {"pIC50": 7.23, "LE": 0.431, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.531, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.309, "herg": 0.506, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.866286466132075, "aff_pf": -1.2280712525049846, "aff_hs": -0.35978374630212784, "repeats_pf": {"runs": 3, "values": [-1.1212, -1.28, -1.283], "mean": -1.2281, "spread": 0.1617}, "repeats_hs": {"runs": 3, "values": [-0.0958, -0.4874, -0.4962], "mean": -0.3598, "spread": 0.4005}, "at": 1787082029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069619, "scored_at": 1787082029, "alerts": [], "rank": 1458}, {"candidate_id": "ODC-9AD769", "res_at": 1787197773, "skeleton": "IYGQNICJQZWBKA", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 54.512, "axes": {"activity": 24.29, "binding": 9.76, "selectivity": 7.52, "admet": 4.29, "novelty": 5.43, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 6.057, "fraction": 0.81}, "binding": {"pIC50": 6.6, "LE": 0.274, "potency_term": 0.534, "efficiency_cap": 0.914}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.642, "caco2-wang": 0.288, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.057364091153457, "aff_pf": -0.6017592549324036, "aff_hs": 0.806162436803182, "repeats_pf": {"runs": 3, "values": [-0.6253, -0.5992, -0.5808], "mean": -0.6018, "spread": 0.0445}, "repeats_hs": {"runs": 3, "values": [0.7804, 0.843, 0.7951], "mean": 0.8062, "spread": 0.0627}, "at": 1787197773}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192961, "scored_at": 1787197773, "alerts": [], "rank": 1459}, {"candidate_id": "ODC-7188B6", "res_at": 1788920717, "skeleton": "VQESVARJSVSJOD", "hf_user": "Ku-ku", "display_name": "KK-M-0909-052", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Nc··········F)CC2", "total": 54.499, "axes": {"activity": 24.47, "binding": 12.61, "selectivity": 4.84, "admet": 4.12, "novelty": 6.15, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 6.068, "fraction": 0.816}, "binding": {"pIC50": 6.89, "LE": 0.337, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.383, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.082, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.525, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 4.02}}, "run": {"gpu": "0", "pAct_q10": 6.068498042713694, "aff_pf": -0.8917157451311747, "aff_hs": -0.12487283845742543, "repeats_pf": {"runs": 3, "values": [-0.858, -0.9085, -0.9086], "mean": -0.8917, "spread": 0.0506}, "repeats_hs": {"runs": 3, "values": [-0.0747, -0.1456, -0.1543], "mean": -0.1249, "spread": 0.0797}, "at": 1788920717}, "tier": 1, "alerts": [], "total_sd": 0.24, "total_ci95": [54.072, 54.93], "relegate_reason": [], "submitted_at": 1788905820, "scored_at": 1788920717, "rank": 1460}, {"candidate_id": "ODC-5A97A9", "res_at": 1786854202, "skeleton": "YPDFEYVPSOKMKU", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 54.497, "axes": {"activity": 16.87, "binding": 13.93, "selectivity": 12.41, "admet": 4.46, "novelty": 3.6, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.612, "fraction": 0.562}, "binding": {"pIC50": 7.09, "LE": 0.441, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.5, "selectivity_term": 0.891, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.457, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.612492135807342, "aff_pf": -1.0891954898834229, "aff_hs": 0.6923595269521078, "repeats_pf": {"runs": 3, "values": [-1.1063, -1.0466, -1.1147], "mean": -1.0892, "spread": 0.0681}, "repeats_hs": {"runs": 3, "values": [0.6204, 0.7107, 0.746], "mean": 0.6924, "spread": 0.1256}, "at": 1786854202}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847669, "scored_at": 1786854202, "alerts": [], "rank": 1461}, {"candidate_id": "ODC-D64BAC", "res_at": 1787172384, "skeleton": "DBDZYOGGOZJDKN", "hf_user": "1Dmeds", "display_name": "ODC26-FN-04", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.479, "axes": {"activity": 21.86, "binding": 13.96, "selectivity": 6.46, "admet": 4.33, "novelty": 4.92, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.912, "fraction": 0.729}, "binding": {"pIC50": 7.09, "LE": 0.347, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.463, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.734, "ld50-zhu": 0.723, "herg": 0.099, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.911798400601742, "aff_pf": -1.093543529510498, "aff_hs": -0.16740757413208485, "repeats_pf": {"runs": 3, "values": [-1.0736, -1.1255, -1.0815], "mean": -1.0935, "spread": 0.052}, "repeats_hs": {"runs": 3, "values": [-0.2688, 0.0036, -0.2371], "mean": -0.1674, "spread": 0.2724}, "at": 1787172384}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171638, "scored_at": 1787172384, "alerts": [], "rank": 1462}, {"candidate_id": "ODC-A57FD5", "res_at": 1786922693, "skeleton": "YNKFKNFOMQUPAT", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-10th", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.469, "axes": {"activity": 17.33, "binding": 13.04, "selectivity": 12.85, "admet": 4.96, "novelty": 3.42, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.64, "fraction": 0.578}, "binding": {"pIC50": 6.96, "LE": 0.433, "potency_term": 0.652, "efficiency_cap": 1.0}, "selectivity": {"fold": 93.7, "selectivity_term": 0.986, "target_engagement": 0.652}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.487, "herg": 0.399, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.6399942743842715, "aff_pf": -0.9553620417912801, "aff_hs": 1.0165483554204304, "repeats_pf": {"runs": 3, "values": [-0.9784, -0.9438, -0.9439], "mean": -0.9554, "spread": 0.0345}, "repeats_hs": {"runs": 3, "values": [1.2377, 0.8943, 0.9177], "mean": 1.0165, "spread": 0.3434}, "at": 1786922693}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921583, "scored_at": 1786922693, "alerts": [], "rank": 1463}, {"candidate_id": "ODC-048377", "res_at": 1786894003, "skeleton": "XVBCHXALCVSWBO", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.464, "axes": {"activity": 16.78, "binding": 14.42, "selectivity": 11.23, "admet": 4.5, "novelty": 4.46, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 7.16, "LE": 0.446, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.2, "selectivity_term": 0.779, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.467, "herg": 0.158, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.606541265145885, "aff_pf": -1.162694772084554, "aff_hs": 0.3957528273264567, "repeats_pf": {"runs": 3, "values": [-1.1349, -1.1946, -1.1586], "mean": -1.1627, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [0.3974, 0.3121, 0.4778], "mean": 0.3958, "spread": 0.1657}, "at": 1786894003}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879604, "scored_at": 1786894003, "alerts": [], "rank": 1464}, {"candidate_id": "ODC-8F035E", "res_at": 1788306244, "skeleton": "OQQJVCRIFVMULD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 54.45, "axes": {"activity": 18.16, "binding": 14.93, "selectivity": 10.03, "admet": 3.04, "novelty": 4.55, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.69, "fraction": 0.605}, "binding": {"pIC50": 7.44, "LE": 0.275, "potency_term": 0.813, "efficiency_cap": 0.918}, "selectivity": {"fold": 17.1, "selectivity_term": 0.617, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.978, "ld50-zhu": 0.597, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "0", "pAct_q10": 5.689652799556134, "aff_pf": -1.4396746555964153, "aff_hs": -0.20633803804715475, "repeats_pf": {"runs": 3, "values": [-1.6028, -1.4968, -1.2194], "mean": -1.4397, "spread": 0.3834}, "repeats_hs": {"runs": 3, "values": [-0.3151, -0.2312, -0.0727], "mean": -0.2063, "spread": 0.2425}, "at": 1788306244}, "tier": 1, "alerts": [], "total_sd": 2.628, "total_ci95": [49.043, 59.607], "relegate_reason": [], "submitted_at": 1788276864, "scored_at": 1788306244, "rank": 1465}, {"candidate_id": "ODC-4BF1AC", "res_at": 1789314704, "skeleton": "FQIXHLROHJOUSA", "hf_user": "trblnfxn", "display_name": "NC-BRG-05_MW469_cPentEthAm", "model_name": "Hermes-MWBridge-v8", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.431, "axes": {"activity": 25.81, "binding": 7.32, "selectivity": 6.07, "admet": 6.19, "novelty": 5.16, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.148, "fraction": 0.86}, "binding": {"pIC50": 6.2, "LE": 0.274, "potency_term": 0.401, "efficiency_cap": 0.914}, "selectivity": {"fold": 32.7, "selectivity_term": 0.757, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.418, "cyp2c9-veith": 0.557, "cyp3a4-substrate-carbonmangels": 0.752, "ld50-zhu": 0.841, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 6.148338665894129, "aff_pf": -0.2022595008214315, "aff_hs": 1.3119009335835774, "repeats_pf": {"runs": 3, "values": [-0.1691, -0.1954, -0.2423], "mean": -0.2023, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [1.278, 1.28, 1.3777], "mean": 1.3119, "spread": 0.0997}, "at": 1789314704}, "tier": 1, "alerts": [], "total_sd": 0.312, "total_ci95": [53.892, 55.092], "relegate_reason": [], "submitted_at": 1789309908, "scored_at": 1789314704, "rank": 1466}, {"candidate_id": "ODC-294102", "res_at": 1786908225, "skeleton": "UONJKMKMJCCWLU", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.43, "axes": {"activity": 13.3, "binding": 15.33, "selectivity": 12.75, "admet": 5.22, "novelty": 4.23, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.398, "fraction": 0.443}, "binding": {"pIC50": 7.3, "LE": 0.455, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.2, "selectivity_term": 0.832, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.165, "cyp3a4-substrate-carbonmangels": 0.645, "ld50-zhu": 0.346, "herg": 0.47, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.398116014508672, "aff_pf": -1.2987552483876545, "aff_hs": 0.3654908935228984, "repeats_pf": {"runs": 3, "values": [-1.2981, -1.3054, -1.2928], "mean": -1.2988, "spread": 0.0125}, "repeats_hs": {"runs": 3, "values": [0.368, 0.3474, 0.3811], "mean": 0.3655, "spread": 0.0337}, "at": 1786908225}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899335, "scored_at": 1786908225, "alerts": [], "rank": 1467}, {"candidate_id": "ODC-8B57FA", "res_at": 1787046823, "skeleton": "WNGURBFGZIAAAW", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 54.43, "axes": {"activity": 18.18, "binding": 17.01, "selectivity": 6.16, "admet": 4.24, "novelty": 5.42, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.691, "fraction": 0.606}, "binding": {"pIC50": 7.55, "LE": 0.383, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.872, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.955, "ld50-zhu": 0.563, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.690593710647823, "aff_pf": -1.5518244902292888, "aff_hs": -0.8278867602348328, "repeats_pf": {"runs": 3, "values": [-1.4077, -1.6013, -1.6465], "mean": -1.5518, "spread": 0.2389}, "repeats_hs": {"runs": 3, "values": [-0.5401, -0.9524, -0.9911], "mean": -0.8279, "spread": 0.451}, "at": 1787046823}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039540, "scored_at": 1787046823, "alerts": [], "rank": 1468}, {"candidate_id": "ODC-C731F5", "res_at": 1787417750, "skeleton": "NOZXEQARDYJONJ", "hf_user": "1Dmeds", "display_name": "ODC26-W4", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 54.426, "axes": {"activity": 26.37, "binding": 9.4, "selectivity": 5.88, "admet": 3.28, "novelty": 5.89, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.182, "fraction": 0.879}, "binding": {"pIC50": 6.63, "LE": 0.26, "potency_term": 0.543, "efficiency_cap": 0.865}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.543}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.072, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 0.997, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.579, "herg": 0.314, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.1819666968990346, "aff_pf": -0.6303516527016958, "aff_hs": 0.451530118783315, "repeats_pf": {"runs": 3, "values": [-0.8088, -0.4859, -0.5963], "mean": -0.6304, "spread": 0.3229}, "repeats_hs": {"runs": 3, "values": [0.4708, 0.5514, 0.3324], "mean": 0.4515, "spread": 0.219}, "at": 1787417750}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412268, "scored_at": 1787417750, "alerts": [], "rank": 1469}, {"candidate_id": "ODC-B2AF75", "res_at": 1786958362, "skeleton": "HNULYXMWGCRFSR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.424, "axes": {"activity": 14.99, "binding": 16.39, "selectivity": 10.25, "admet": 5.34, "novelty": 3.96, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 7.46, "LE": 0.409, "potency_term": 0.82, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.625, "target_engagement": 0.82}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.76, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.499580025896508, "aff_pf": -1.4587341944376628, "aff_hs": -0.20846113562583923, "repeats_pf": {"runs": 3, "values": [-1.588, -1.4585, -1.3297], "mean": -1.4587, "spread": 0.2582}, "repeats_hs": {"runs": 3, "values": [-0.149, -0.2085, -0.2679], "mean": -0.2085, "spread": 0.1189}, "at": 1786958362}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957381, "scored_at": 1786958362, "alerts": [], "rank": 1470}, {"candidate_id": "ODC-CEA0D8", "res_at": 1786840417, "skeleton": "BFGXQZBBWUAXSD", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.424, "axes": {"activity": 15.65, "binding": 15.87, "selectivity": 9.48, "admet": 6.26, "novelty": 3.74, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 7.38, "LE": 0.46, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.597, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.323, "cyp3a4-substrate-carbonmangels": 0.717, "ld50-zhu": 0.495, "herg": 0.648, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.5391648063159975, "aff_pf": -1.3808644612630208, "aff_hs": -0.18633322417736053, "repeats_pf": {"runs": 3, "values": [-1.3839, -1.3666, -1.3921], "mean": -1.3809, "spread": 0.0255}, "repeats_hs": {"runs": 3, "values": [-0.1795, -0.2099, -0.1696], "mean": -0.1863, "spread": 0.0402}, "at": 1786840417}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805933, "scored_at": 1786840417, "alerts": [], "rank": 1471}, {"candidate_id": "ODC-379766", "res_at": 1789374303, "skeleton": "RJDJFNMKYSJMGU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.42, "axes": {"activity": 15.53, "binding": 16.25, "selectivity": 9.96, "admet": 5.71, "novelty": 3.25, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.812, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.613, "target_engagement": 0.812}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.689, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.452, "herg": 0.259, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.531697132985107, "aff_pf": -1.4369543393452961, "aff_hs": -0.21035002171993256, "repeats_pf": {"runs": 3, "values": [-1.4707, -1.486, -1.3541], "mean": -1.437, "spread": 0.1319}, "repeats_hs": {"runs": 3, "values": [-0.2461, -0.1594, -0.2255], "mean": -0.2104, "spread": 0.0868}, "at": 1789374303}, "tier": 1, "alerts": [], "total_sd": 0.853, "total_ci95": [52.675, 55.792], "relegate_reason": [], "submitted_at": 1789365133, "scored_at": 1789374303, "rank": 1472}, {"candidate_id": "ODC-FD55D5", "res_at": 1789960472, "skeleton": "LRJFDCFGYDGGSQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.419, "axes": {"activity": 16.12, "binding": 17.56, "selectivity": 5.28, "admet": 6.85, "novelty": 4.75, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 7.63, "LE": 0.436, "potency_term": 0.878, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.791, "ld50-zhu": 0.771, "herg": 0.431, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.566909348261329, "aff_pf": -1.6340635220209758, "aff_hs": -1.0328693389892578, "repeats_pf": {"runs": 3, "values": [-1.5848, -1.7772, -1.5402], "mean": -1.6341, "spread": 0.2371}, "repeats_hs": {"runs": 3, "values": [-1.0259, -1.0438, -1.0289], "mean": -1.0329, "spread": 0.0179}, "at": 1789960472}, "tier": 1, "alerts": [], "total_sd": 1.394, "total_ci95": [52.547, 57.825], "relegate_reason": [], "submitted_at": 1789876210, "scored_at": 1789960472, "rank": 1473}, {"candidate_id": "ODC-404CC7", "res_at": 1788904767, "skeleton": "KSGJVNSSRJYHLP", "hf_user": "Bio-JS", "display_name": "0909-S1-08", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.415, "axes": {"activity": 11.68, "binding": 16.17, "selectivity": 14.16, "admet": 5.47, "novelty": 3.56, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.389}, "binding": {"pIC50": 7.43, "LE": 0.391, "potency_term": 0.808, "efficiency_cap": 1.0}, "selectivity": {"fold": 56.5, "selectivity_term": 0.876, "target_engagement": 0.808}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.149, "ld50-zhu": 0.663, "herg": 0.28, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.300543084425085, "aff_pf": -1.4254779418309529, "aff_hs": 0.326330562432607, "repeats_pf": {"runs": 3, "values": [-1.4298, -1.4149, -1.4318], "mean": -1.4255, "spread": 0.0169}, "repeats_hs": {"runs": 3, "values": [0.2108, 0.4275, 0.3407], "mean": 0.3263, "spread": 0.2167}, "at": 1788904767}, "tier": 1, "alerts": [], "total_sd": 0.413, "total_ci95": [53.607, 55.251], "relegate_reason": [], "submitted_at": 1788902736, "scored_at": 1788904767, "rank": 1474}, {"candidate_id": "ODC-CB26B5", "res_at": 1788994765, "skeleton": "NKMAWZMVYODSFM", "hf_user": "Bio-JS", "display_name": "0910-S1-08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 54.407, "axes": {"activity": 13.07, "binding": 14.8, "selectivity": 14.8, "admet": 5.41, "novelty": 3.12, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 7.22, "LE": 0.412, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 133.5, "selectivity_term": 1.0, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.312, "ld50-zhu": 0.604, "herg": 0.532, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.3842316698076775, "aff_pf": -1.2197173833847046, "aff_hs": 0.9058096210161845, "repeats_pf": {"runs": 3, "values": [-1.1983, -1.2368, -1.2241], "mean": -1.2197, "spread": 0.0385}, "repeats_hs": {"runs": 3, "values": [0.9726, 0.9026, 0.8422], "mean": 0.9058, "spread": 0.1304}, "at": 1788994765}, "tier": 1, "alerts": [], "total_sd": 0.176, "total_ci95": [54.008, 54.725], "relegate_reason": [], "submitted_at": 1788993303, "scored_at": 1788994765, "rank": 1475}, {"candidate_id": "ODC-A841F2", "res_at": 1786872831, "skeleton": "JJIGDNNXSDZBCA", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(OC(F)(F)F)c(F)c3)n2n1", "smiles_masked": null, "total": 54.404, "axes": {"activity": 17.35, "binding": 16.57, "selectivity": 6.81, "admet": 5.82, "novelty": 4.07, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.641, "fraction": 0.578}, "binding": {"pIC50": 7.49, "LE": 0.41, "potency_term": 0.829, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.637, "herg": 0.233, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.641007102696832, "aff_pf": -1.4861116011937459, "aff_hs": -0.6648749311765035, "repeats_pf": {"runs": 3, "values": [-1.5054, -1.4944, -1.4585], "mean": -1.4861, "spread": 0.0469}, "repeats_hs": {"runs": 3, "values": [-0.7131, -0.6385, -0.643], "mean": -0.6649, "spread": 0.0746}, "at": 1786872831}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866249, "scored_at": 1786872831, "alerts": [], "rank": 1476}, {"candidate_id": "ODC-C62339", "res_at": 1788495410, "skeleton": "FLTUUSDQGCHUCO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.404, "axes": {"activity": 11.32, "binding": 16.88, "selectivity": 14.01, "admet": 5.41, "novelty": 3.11, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 7.53, "LE": 0.413, "potency_term": 0.844, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.7, "selectivity_term": 0.83, "target_engagement": 0.844}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.315, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.507, "herg": 0.152, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.279277224324185, "aff_pf": -1.53274671236674, "aff_hs": 0.12718798716862997, "repeats_pf": {"runs": 3, "values": [-1.5131, -1.558, -1.5271], "mean": -1.5327, "spread": 0.0449}, "repeats_hs": {"runs": 3, "values": [0.212, 0.1055, 0.0641], "mean": 0.1272, "spread": 0.1479}, "at": 1788495410}, "tier": 1, "alerts": [], "total_sd": 0.381, "total_ci95": [53.609, 55.166], "relegate_reason": [], "submitted_at": 1788433956, "scored_at": 1788495410, "rank": 1477}, {"candidate_id": "ODC-8E16CE", "res_at": 1789270096, "skeleton": "LGQQGSCHVIMJQY", "hf_user": "Ku-ku", "display_name": "KK-M-0913-661", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 54.399, "axes": {"activity": 30.0, "binding": 4.93, "selectivity": 2.13, "admet": 5.99, "novelty": 7.22, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 6.471, "fraction": 1.0}, "binding": {"pIC50": 5.9, "LE": 0.245, "potency_term": 0.302, "efficiency_cap": 0.817}, "selectivity": {"fold": 5.1, "selectivity_term": 0.354, "target_engagement": 0.302}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.573, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.628, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.095, "ld50-zhu": 0.673, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 6.47129502690008, "aff_pf": 0.09504588941733043, "aff_hs": 0.8024879495302836, "repeats_pf": {"runs": 3, "values": [0.1912, 0.0377, 0.0562], "mean": 0.095, "spread": 0.1536}, "repeats_hs": {"runs": 3, "values": [0.8076, 0.8922, 0.7077], "mean": 0.8025, "spread": 0.1845}, "at": 1789270096}, "tier": 1, "alerts": [], "total_sd": 0.47, "total_ci95": [53.407, 55.279], "relegate_reason": [], "submitted_at": 1789263764, "scored_at": 1789270096, "rank": 1478}, {"candidate_id": "ODC-BE8998", "res_at": 1789526488, "skeleton": "SHEPKHLCIBMXIE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.398, "axes": {"activity": 9.31, "binding": 18.38, "selectivity": 13.04, "admet": 4.79, "novelty": 4.51, "synthesis": 4.37}, "detail": {"activity": {"pAct_q10": 5.159, "fraction": 0.31}, "binding": {"pIC50": 7.76, "LE": 0.462, "potency_term": 0.919, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.3, "selectivity_term": 0.71, "target_engagement": 0.919}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.363, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.651, "ld50-zhu": 0.366, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.158675613110116, "aff_pf": -1.7564222415288289, "aff_hs": -0.33699897925059, "repeats_pf": {"runs": 3, "values": [-1.8106, -1.7402, -1.7185], "mean": -1.7564, "spread": 0.092}, "repeats_hs": {"runs": 3, "values": [-0.4031, -0.3325, -0.2753], "mean": -0.337, "spread": 0.1278}, "at": 1789526488}, "tier": 1, "alerts": [], "total_sd": 0.663, "total_ci95": [53.231, 55.759], "relegate_reason": [], "submitted_at": 1789524574, "scored_at": 1789526488, "rank": 1479}, {"candidate_id": "ODC-5981AA", "res_at": 1787718171, "skeleton": "ZAOKHKLSQPNIFD", "hf_user": "Ku-ku", "display_name": "KK-M-0826-T4", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 54.366, "axes": {"activity": 17.62, "binding": 16.77, "selectivity": 4.08, "admet": 7.49, "novelty": 5.55, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.657, "fraction": 0.587}, "binding": {"pIC50": 7.52, "LE": 0.412, "potency_term": 0.839, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.243, "target_engagement": 0.839}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.562, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.574, "herg": 0.06, "dili": 0.859}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.657370351509662, "aff_pf": -1.5158249537150066, "aff_hs": -1.0289245247840881, "repeats_pf": {"runs": 3, "values": [-1.5331, -1.5331, -1.4813], "mean": -1.5158, "spread": 0.0519}, "repeats_hs": {"runs": 3, "values": [-1.0208, -1.0709, -0.9951], "mean": -1.0289, "spread": 0.0759}, "at": 1787718171}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787717248, "scored_at": 1787718171, "rank": 1480}, {"candidate_id": "ODC-9E6092", "res_at": 1787282087, "skeleton": "KXBAGQZLYJMHEV", "hf_user": "Ku-ku", "display_name": "R1_anil2F", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.364, "axes": {"activity": 19.77, "binding": 13.0, "selectivity": 10.1, "admet": 4.8, "novelty": 3.74, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.786, "fraction": 0.659}, "binding": {"pIC50": 6.95, "LE": 0.414, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.7, "selectivity_term": 0.776, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.508, "ld50-zhu": 0.341, "herg": 0.809, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.786455806428921, "aff_pf": -0.9505819876988729, "aff_hs": 0.6023817459742228, "repeats_pf": {"runs": 3, "values": [-0.849, -0.9808, -1.0219], "mean": -0.9506, "spread": 0.1728}, "repeats_hs": {"runs": 3, "values": [0.4782, 0.6455, 0.6834], "mean": 0.6024, "spread": 0.2051}, "at": 1787282087}, "tier": 1, "relegate_reason": [], "submitted_at": 1787277893, "scored_at": 1787282087, "alerts": [], "rank": 1481}, {"candidate_id": "ODC-5C359F", "res_at": 1788768218, "skeleton": "XFFDCUSSDBDSPH", "hf_user": "Bio-JS", "display_name": "0906-S1-13 SCHF2/F/R6-Cl/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 54.362, "axes": {"activity": 18.96, "binding": 13.65, "selectivity": 10.48, "admet": 4.01, "novelty": 4.41, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.738, "fraction": 0.632}, "binding": {"pIC50": 7.05, "LE": 0.402, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.3, "selectivity_term": 0.768, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.393, "herg": 0.687, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.737888691837388, "aff_pf": -1.04690949122111, "aff_hs": 0.48900535702705383, "repeats_pf": {"runs": 3, "values": [-1.1022, -1.0435, -0.9951], "mean": -1.0469, "spread": 0.1071}, "repeats_hs": {"runs": 3, "values": [0.5414, 0.4846, 0.441], "mean": 0.489, "spread": 0.1004}, "at": 1788768218}, "tier": 1, "alerts": [], "total_sd": 0.645, "total_ci95": [53.121, 55.838], "relegate_reason": [], "submitted_at": 1788665983, "scored_at": 1788768218, "rank": 1482}, {"candidate_id": "ODC-9B119A", "res_at": 1788868510, "skeleton": "CPEHUMPXYDMLBG", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-15", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········[nH]1", "total": 54.36, "axes": {"activity": 10.27, "binding": 16.06, "selectivity": 13.6, "admet": 5.15, "novelty": 6.02, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.216, "fraction": 0.342}, "binding": {"pIC50": 7.41, "LE": 0.423, "potency_term": 0.803, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.4, "selectivity_term": 0.847, "target_engagement": 0.803}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.135, "ld50-zhu": 0.433, "herg": 0.41, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.216177343276594, "aff_pf": -1.4085520108540852, "aff_hs": 0.2855687290430069, "repeats_pf": {"runs": 3, "values": [-1.4217, -1.4073, -1.3967], "mean": -1.4086, "spread": 0.025}, "repeats_hs": {"runs": 3, "values": [0.3594, 0.2567, 0.2405], "mean": 0.2856, "spread": 0.1189}, "at": 1788868510}, "tier": 1, "alerts": [], "total_sd": 0.283, "total_ci95": [53.867, 54.9], "relegate_reason": [], "submitted_at": 1788856977, "scored_at": 1788868510, "rank": 1483}, {"candidate_id": "ODC-F9D71B", "res_at": 1787249507, "skeleton": "SLGORWCHTXUNCP", "hf_user": "1Dmeds", "display_name": "ODC26-R15-23", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 54.359, "axes": {"activity": 21.7, "binding": 15.03, "selectivity": 4.91, "admet": 5.1, "novelty": 4.44, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.902, "fraction": 0.723}, "binding": {"pIC50": 7.25, "LE": 0.432, "potency_term": 0.752, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.752}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.414, "herg": 0.811, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.902298510500147, "aff_pf": -1.2548751036326091, "aff_hs": -0.6013098855813345, "repeats_pf": {"runs": 3, "values": [-1.1793, -1.188, -1.3974], "mean": -1.2549, "spread": 0.2181}, "repeats_hs": {"runs": 3, "values": [-0.6215, -0.6926, -0.4898], "mean": -0.6013, "spread": 0.2029}, "at": 1787249507}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242151, "scored_at": 1787249507, "alerts": [], "rank": 1484}, {"candidate_id": "ODC-379C04", "res_at": 1786983268, "skeleton": "ZHGUKKALPBNYHW", "hf_user": "1Dmeds", "display_name": "ODC26-R7A-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.349, "axes": {"activity": 9.62, "binding": 16.84, "selectivity": 13.24, "admet": 6.05, "novelty": 5.08, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.177, "fraction": 0.321}, "binding": {"pIC50": 7.53, "LE": 0.448, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.4, "selectivity_term": 0.786, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.693, "ld50-zhu": 0.404, "herg": 0.592, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.177102326967921, "aff_pf": -1.5259686311086018, "aff_hs": 0.04702295362949371, "repeats_pf": {"runs": 3, "values": [-1.4523, -1.541, -1.5846], "mean": -1.526, "spread": 0.1322}, "repeats_hs": {"runs": 3, "values": [-0.0028, 0.1166, 0.0272], "mean": 0.047, "spread": 0.1194}, "at": 1786983268}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979497, "scored_at": 1786983268, "alerts": [], "rank": 1485}, {"candidate_id": "ODC-2A456B", "res_at": 1787019635, "skeleton": "FBTOJHHJIXKIEE", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.338, "axes": {"activity": 16.06, "binding": 16.31, "selectivity": 8.28, "admet": 6.44, "novelty": 3.63, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.535}, "binding": {"pIC50": 7.45, "LE": 0.444, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.541, "herg": 0.599, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.5636323402144745, "aff_pf": -1.4472124576568604, "aff_hs": -0.4324287970860799, "repeats_pf": {"runs": 3, "values": [-1.3966, -1.4814, -1.4637], "mean": -1.4472, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [-0.3933, -0.3892, -0.5148], "mean": -0.4324, "spread": 0.1256}, "at": 1787019635}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019443, "scored_at": 1787019635, "alerts": [], "rank": 1486}, {"candidate_id": "ODC-B781D9", "res_at": 1789894835, "skeleton": "DWEIVMULLCEGED", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········c1C#N", "total": 54.321, "axes": {"activity": 20.76, "binding": 14.19, "selectivity": 6.8, "admet": 5.33, "novelty": 4.32, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.845, "fraction": 0.692}, "binding": {"pIC50": 7.13, "LE": 0.391, "potency_term": 0.71, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.71}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.453, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.404, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.845328490022011, "aff_pf": -1.1287913123766582, "aff_hs": -0.17003547896941504, "repeats_pf": {"runs": 3, "values": [-1.2627, -1.1937, -0.93], "mean": -1.1288, "spread": 0.3327}, "repeats_hs": {"runs": 3, "values": [-0.0938, -0.0949, -0.3213], "mean": -0.17, "spread": 0.2275}, "at": 1789894835}, "tier": 1, "alerts": [], "total_sd": 1.785, "total_ci95": [51.513, 57.464], "relegate_reason": [], "submitted_at": 1789658544, "scored_at": 1789894835, "rank": 1487}, {"candidate_id": "ODC-B44A7C", "res_at": 1789390453, "skeleton": "RMDUNSADFTUUIU", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 54.319, "axes": {"activity": 22.11, "binding": 13.51, "selectivity": 7.47, "admet": 3.75, "novelty": 4.58, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.927, "fraction": 0.737}, "binding": {"pIC50": 7.03, "LE": 0.357, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.553, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.562, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.746, "ld50-zhu": 0.808, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.926570048738588, "aff_pf": -1.026310920715332, "aff_hs": 0.0790380984544754, "repeats_pf": {"runs": 3, "values": [-1.2068, -1.078, -0.7941], "mean": -1.0263, "spread": 0.4126}, "repeats_hs": {"runs": 3, "values": [0.1347, 0.0249, 0.0775], "mean": 0.079, "spread": 0.1098}, "at": 1789390453}, "tier": 1, "alerts": [], "total_sd": 1.624, "total_ci95": [51.798, 57.515], "relegate_reason": [], "submitted_at": 1789389132, "scored_at": 1789390453, "rank": 1488}, {"candidate_id": "ODC-699A30", "res_at": 1788580428, "skeleton": "HJUCOGIGMOPTHX", "hf_user": "Bio-JS", "display_name": "0905-S1-19 SEt/F/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.318, "axes": {"activity": 16.15, "binding": 16.15, "selectivity": 8.0, "admet": 5.57, "novelty": 4.77, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 5.569, "fraction": 0.538}, "binding": {"pIC50": 7.42, "LE": 0.462, "potency_term": 0.808, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.808}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.465, "herg": 0.37, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.569130367749584, "aff_pf": -1.4227915207544963, "aff_hs": -0.43171260754267377, "repeats_pf": {"runs": 3, "values": [-1.3539, -1.457, -1.4574], "mean": -1.4228, "spread": 0.1034}, "repeats_hs": {"runs": 3, "values": [-0.492, -0.3164, -0.4868], "mean": -0.4317, "spread": 0.1756}, "at": 1788580428}, "tier": 1, "alerts": [], "total_sd": 0.729, "total_ci95": [53.022, 55.619], "relegate_reason": [], "submitted_at": 1788560287, "scored_at": 1788580428, "rank": 1489}, {"candidate_id": "ODC-708414", "res_at": 1789206388, "skeleton": "MVWDMSJGTQDZDV", "hf_user": "Bio-JS", "display_name": "0912-S1-core_triazolopyridine", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.316, "axes": {"activity": 5.47, "binding": 17.33, "selectivity": 17.33, "admet": 5.64, "novelty": 4.63, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 4.928, "fraction": 0.182}, "binding": {"pIC50": 7.6, "LE": 0.453, "potency_term": 0.867, "efficiency_cap": 1.0}, "selectivity": {"fold": 144.5, "selectivity_term": 1.0, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.474, "herg": 0.688, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 4.928387786230526, "aff_pf": -1.5997695525487263, "aff_hs": 0.5600984891255697, "repeats_pf": {"runs": 3, "values": [-1.5623, -1.645, -1.592], "mean": -1.5998, "spread": 0.0827}, "repeats_hs": {"runs": 3, "values": [0.4812, 0.5042, 0.6949], "mean": 0.5601, "spread": 0.2138}, "at": 1789206388}, "tier": 1, "alerts": [], "total_sd": 0.379, "total_ci95": [53.612, 55.165], "relegate_reason": [], "submitted_at": 1789177531, "scored_at": 1789206388, "rank": 1490}, {"candidate_id": "ODC-C57D2D", "res_at": 1789626011, "skeleton": "SXQXBASKTPCMIF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.299, "axes": {"activity": 18.75, "binding": 15.11, "selectivity": 7.21, "admet": 5.97, "novelty": 4.02, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.725, "fraction": 0.625}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.477, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.521, "ld50-zhu": 0.544, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.724969350734084, "aff_pf": -1.266512672106425, "aff_hs": -0.31244835754235584, "repeats_pf": {"runs": 3, "values": [-1.1742, -1.3744, -1.251], "mean": -1.2665, "spread": 0.2002}, "repeats_hs": {"runs": 3, "values": [-0.3241, -0.1747, -0.4385], "mean": -0.3124, "spread": 0.2638}, "at": 1789626011}, "tier": 1, "alerts": [], "total_sd": 1.153, "total_ci95": [52.119, 56.845], "relegate_reason": [], "submitted_at": 1789619583, "scored_at": 1789626011, "rank": 1491}, {"candidate_id": "ODC-F5CAB7", "res_at": 1789624459, "skeleton": "LZOHCKKFBMUGLE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.287, "axes": {"activity": 18.39, "binding": 13.82, "selectivity": 9.33, "admet": 6.09, "novelty": 3.89, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.703, "fraction": 0.613}, "binding": {"pIC50": 7.07, "LE": 0.388, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.767, "cyp3a4-substrate-carbonmangels": 0.387, "ld50-zhu": 0.595, "herg": 0.46, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.703123178559535, "aff_pf": -1.0728950301806133, "aff_hs": 0.27782541513442993, "repeats_pf": {"runs": 3, "values": [-1.1191, -1.211, -0.8886], "mean": -1.0729, "spread": 0.3224}, "repeats_hs": {"runs": 3, "values": [-0.0829, 0.4783, 0.4381], "mean": 0.2778, "spread": 0.5612}, "at": 1789624459}, "tier": 1, "alerts": [], "total_sd": 2.065, "total_ci95": [50.019, 58.387], "relegate_reason": [], "submitted_at": 1789619427, "scored_at": 1789624459, "rank": 1492}, {"candidate_id": "ODC-121B8F", "res_at": 1786867026, "skeleton": "NKJREOOZCSYSOP", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.282, "axes": {"activity": 11.31, "binding": 15.87, "selectivity": 15.87, "admet": 2.73, "novelty": 4.81, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 7.38, "LE": 0.337, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 131.8, "selectivity_term": 1.0, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.054, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.654, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "2", "pAct_q10": 5.278625641062683, "aff_pf": -1.3801840543746948, "aff_hs": 0.7397273381551107, "repeats_pf": {"runs": 3, "values": [-1.3846, -1.4276, -1.3283], "mean": -1.3802, "spread": 0.0993}, "repeats_hs": {"runs": 3, "values": [0.7199, 0.7521, 0.7472], "mean": 0.7397, "spread": 0.0322}, "at": 1786867026}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857310, "scored_at": 1786867026, "alerts": [], "rank": 1493}, {"candidate_id": "ODC-5BEDDE", "res_at": 1787067545, "skeleton": "PYMHXNPVMFHDFN", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LA06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Oc··········)n2n1", "total": 54.265, "axes": {"activity": 10.63, "binding": 16.92, "selectivity": 11.33, "admet": 6.52, "novelty": 5.19, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.238, "fraction": 0.354}, "binding": {"pIC50": 7.54, "LE": 0.469, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.546, "herg": 0.509, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.237978267909651, "aff_pf": -1.5384162664413452, "aff_hs": -0.19975577791531882, "repeats_pf": {"runs": 3, "values": [-1.5233, -1.5301, -1.5618], "mean": -1.5384, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [-0.3182, -0.1064, -0.1747], "mean": -0.1998, "spread": 0.2118}, "at": 1787067545}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064687, "scored_at": 1787067545, "alerts": [], "rank": 1494}, {"candidate_id": "ODC-457B47", "res_at": 1789053689, "skeleton": "DRMUEWHZLQNKBM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.261, "axes": {"activity": 14.46, "binding": 16.1, "selectivity": 10.78, "admet": 5.83, "novelty": 3.63, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.41, "LE": 0.406, "potency_term": 0.805, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.67, "target_engagement": 0.805}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.428, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.595, "herg": 0.222, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.467477714722344, "aff_pf": -1.414499282836914, "aff_hs": -0.07528466234604518, "repeats_pf": {"runs": 3, "values": [-1.395, -1.4522, -1.3963], "mean": -1.4145, "spread": 0.0572}, "repeats_hs": {"runs": 3, "values": [-0.0196, -0.0798, -0.1265], "mean": -0.0753, "spread": 0.1069}, "at": 1789053689}, "tier": 1, "alerts": [], "total_sd": 0.426, "total_ci95": [53.623, 55.171], "relegate_reason": [], "submitted_at": 1789041027, "scored_at": 1789053689, "rank": 1495}, {"candidate_id": "ODC-F1662F", "res_at": 1789403142, "skeleton": "LSDFSLVKVSUJEN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.234, "axes": {"activity": 11.7, "binding": 17.49, "selectivity": 10.72, "admet": 5.13, "novelty": 5.66, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 7.62, "LE": 0.402, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.613, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.6, "herg": 0.245, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.302017574287312, "aff_pf": -1.6233883301417034, "aff_hs": -0.39727046092351276, "repeats_pf": {"runs": 3, "values": [-1.6048, -1.6289, -1.6365], "mean": -1.6234, "spread": 0.0317}, "repeats_hs": {"runs": 3, "values": [-0.4593, -0.3722, -0.3603], "mean": -0.3973, "spread": 0.099}, "at": 1789403142}, "tier": 1, "alerts": [], "total_sd": 0.318, "total_ci95": [53.484, 54.759], "relegate_reason": [], "submitted_at": 1789402257, "scored_at": 1789403142, "rank": 1496}, {"candidate_id": "ODC-84A552", "res_at": 1787524785, "skeleton": "BEFGIARNDDSBFP", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.216, "axes": {"activity": 8.06, "binding": 17.61, "selectivity": 14.4, "admet": 6.07, "novelty": 4.48, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.084, "fraction": 0.269}, "binding": {"pIC50": 7.64, "LE": 0.455, "potency_term": 0.88, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.2, "selectivity_term": 0.818, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.522, "ld50-zhu": 0.54, "herg": 0.484, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.083748862127196, "aff_pf": -1.6409271160761516, "aff_hs": -0.005202729254961014, "repeats_pf": {"runs": 3, "values": [-1.7041, -1.6022, -1.6165], "mean": -1.6409, "spread": 0.1019}, "repeats_hs": {"runs": 3, "values": [-0.0272, -0.0322, 0.0438], "mean": -0.0052, "spread": 0.076}, "at": 1787524785}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520646, "scored_at": 1787524785, "alerts": [], "rank": 1497}, {"candidate_id": "ODC-D86F06", "res_at": 1788573889, "skeleton": "PXSSXIRUBRHRPV", "hf_user": "Bio-JS", "display_name": "0905-S1-07 SCHF2/Me/MeCF2/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 54.203, "axes": {"activity": 21.3, "binding": 17.42, "selectivity": 3.31, "admet": 4.48, "novelty": 3.92, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.878, "fraction": 0.71}, "binding": {"pIC50": 7.61, "LE": 0.401, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.128, "ld50-zhu": 0.442, "herg": 0.219, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.878038145325802, "aff_pf": -1.6130378246307373, "aff_hs": -1.2324701150258381, "repeats_pf": {"runs": 3, "values": [-1.6219, -1.629, -1.5882], "mean": -1.613, "spread": 0.0408}, "repeats_hs": {"runs": 3, "values": [-1.2301, -1.1905, -1.2768], "mean": -1.2325, "spread": 0.0863}, "at": 1788573889}, "tier": 1, "alerts": [], "total_sd": 0.278, "total_ci95": [53.676, 54.746], "relegate_reason": [], "submitted_at": 1788559984, "scored_at": 1788573889, "rank": 1498}, {"candidate_id": "ODC-D2DC9C", "res_at": 1787884912, "skeleton": "SRJBEEYGPXTDDT", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L15", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC1CCc··········F)c21", "total": 54.201, "axes": {"activity": 23.09, "binding": 16.44, "selectivity": 2.81, "admet": 3.62, "novelty": 5.48, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.985, "fraction": 0.77}, "binding": {"pIC50": 7.47, "LE": 0.379, "potency_term": 0.822, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.171, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.752, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 5.985191644443642, "aff_pf": -1.4665210644404094, "aff_hs": -1.1249356269836426, "repeats_pf": {"runs": 3, "values": [-1.4912, -1.4653, -1.443], "mean": -1.4665, "spread": 0.0482}, "repeats_hs": {"runs": 3, "values": [-1.0234, -1.1533, -1.1981], "mean": -1.1249, "spread": 0.1748}, "at": 1787884912}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822356, "scored_at": 1787884912, "alerts": [], "rank": 1499}, {"candidate_id": "ODC-9FE1DF", "res_at": 1787709018, "skeleton": "SALAQLKUSPXXNN", "hf_user": "Moonweave", "display_name": "M5AI-FPOS-CAND-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 54.194, "axes": {"activity": 19.53, "binding": 14.63, "selectivity": 10.06, "admet": 2.84, "novelty": 3.7, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.772, "fraction": 0.651}, "binding": {"pIC50": 7.19, "LE": 0.34, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.8, "selectivity_term": 0.688, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.104, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.494, "novelty": 0.506}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.772013227573411, "aff_pf": -1.1944480339686077, "aff_hs": 0.18138165771961212, "repeats_pf": {"runs": 3, "values": [-1.1923, -1.2025, -1.1885], "mean": -1.1944, "spread": 0.014}, "repeats_hs": {"runs": 3, "values": [0.1854, 0.193, 0.1657], "mean": 0.1814, "spread": 0.0274}, "at": 1787709018}, "tier": 1, "relegate_reason": [], "submitted_at": 1787706634, "scored_at": 1787709018, "alerts": [], "rank": 1500}, {"candidate_id": "ODC-0F936E", "res_at": 1787151640, "skeleton": "BSPZNBXLZPBFIM", "hf_user": "Ku-ku", "display_name": "M03_SMe_4I", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.19, "axes": {"activity": 12.58, "binding": 15.62, "selectivity": 14.47, "admet": 5.89, "novelty": 1.78, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.355, "fraction": 0.419}, "binding": {"pIC50": 7.34, "LE": 0.503, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 71.2, "selectivity_term": 0.926, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.384, "cyp3a4-substrate-carbonmangels": 0.566, "ld50-zhu": 0.285, "herg": 0.414, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.773, "novelty": 0.227}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.355047508842989, "aff_pf": -1.3430071274439495, "aff_hs": 0.5092620253562927, "repeats_pf": {"runs": 3, "values": [-1.3276, -1.31, -1.3914], "mean": -1.343, "spread": 0.0814}, "repeats_hs": {"runs": 3, "values": [0.4979, 0.4614, 0.5685], "mean": 0.5093, "spread": 0.1071}, "at": 1787151640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148011, "scored_at": 1787151640, "alerts": [], "rank": 1501}, {"candidate_id": "ODC-C31364", "res_at": 1787734120, "skeleton": "DXGVCKQKBOSZBF", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5CN-YF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 54.19, "axes": {"activity": 30.0, "binding": 7.83, "selectivity": 1.32, "admet": 3.87, "novelty": 7.18, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.533, "fraction": 1.0}, "binding": {"pIC50": 6.37, "LE": 0.257, "potency_term": 0.457, "efficiency_cap": 0.856}, "selectivity": {"fold": 1.9, "selectivity_term": 0.145, "target_engagement": 0.457}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.666, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.53319422947077, "aff_pf": -0.3718380530675252, "aff_hs": -0.08262503643830617, "repeats_pf": {"runs": 3, "values": [-0.5251, -0.2845, -0.3059], "mean": -0.3718, "spread": 0.2406}, "repeats_hs": {"runs": 3, "values": [-0.2089, -0.0093, -0.0297], "mean": -0.0826, "spread": 0.1996}, "at": 1787734120}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728426, "scored_at": 1787734120, "alerts": [], "rank": 1502}, {"candidate_id": "ODC-715671", "res_at": 1788436648, "skeleton": "SVWIALUXVCOUNB", "hf_user": "Bio-JS", "display_name": "0903-S1-21 oCN_mF/cPr/tmSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 54.19, "axes": {"activity": 21.09, "binding": 14.13, "selectivity": 8.67, "admet": 2.49, "novelty": 5.12, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.866, "fraction": 0.703}, "binding": {"pIC50": 7.34, "LE": 0.272, "potency_term": 0.78, "efficiency_cap": 0.906}, "selectivity": {"fold": 13.0, "selectivity_term": 0.556, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.452, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.831, "herg": 0.05, "dili": 0.165}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.865536786566286, "aff_pf": -1.3394685983657837, "aff_hs": -0.22706105560064316, "repeats_pf": {"runs": 3, "values": [-1.3152, -1.3803, -1.323], "mean": -1.3395, "spread": 0.0651}, "repeats_hs": {"runs": 3, "values": [-0.3836, -0.2117, -0.0859], "mean": -0.2271, "spread": 0.2977}, "at": 1788436648}, "tier": 1, "alerts": [], "total_sd": 0.644, "total_ci95": [52.97, 55.563], "relegate_reason": [], "submitted_at": 1788362844, "scored_at": 1788436648, "rank": 1503}, {"candidate_id": "ODC-03C973", "res_at": 1789441902, "skeleton": "ZNUCIPFREMJMRP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.186, "axes": {"activity": 12.82, "binding": 16.48, "selectivity": 11.5, "admet": 5.89, "novelty": 4.26, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.369, "fraction": 0.427}, "binding": {"pIC50": 7.47, "LE": 0.427, "potency_term": 0.824, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.9, "selectivity_term": 0.698, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.474, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.41, "herg": 0.147, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.369423616410988, "aff_pf": -1.4718538522720337, "aff_hs": -0.07567429107924302, "repeats_pf": {"runs": 3, "values": [-1.4319, -1.4743, -1.5094], "mean": -1.4719, "spread": 0.0775}, "repeats_hs": {"runs": 3, "values": [-0.0007, -0.0858, -0.1406], "mean": -0.0757, "spread": 0.1399}, "at": 1789441902}, "tier": 1, "alerts": [], "total_sd": 0.512, "total_ci95": [53.163, 55.128], "relegate_reason": [], "submitted_at": 1789436068, "scored_at": 1789441902, "rank": 1504}, {"candidate_id": "ODC-6A1A43", "res_at": 1789902436, "skeleton": "NUUUTUDOWKBHSO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········C(F)F", "total": 54.178, "axes": {"activity": 20.06, "binding": 15.99, "selectivity": 5.95, "admet": 4.47, "novelty": 4.64, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.803, "fraction": 0.669}, "binding": {"pIC50": 7.4, "LE": 0.39, "potency_term": 0.8, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.372, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.514, "herg": 0.2, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "2", "pAct_q10": 5.803460156584708, "aff_pf": -1.3991181055704753, "aff_hs": -0.6545353730519613, "repeats_pf": {"runs": 3, "values": [-1.3997, -1.4071, -1.3905], "mean": -1.3991, "spread": 0.0165}, "repeats_hs": {"runs": 3, "values": [-0.678, -0.6173, -0.6683], "mean": -0.6545, "spread": 0.0606}, "at": 1789902436}, "tier": 1, "alerts": [], "total_sd": 0.154, "total_ci95": [53.935, 54.492], "relegate_reason": [], "submitted_at": 1789758216, "scored_at": 1789902436, "rank": 1505}, {"candidate_id": "ODC-8BA380", "res_at": 1788192106, "skeleton": "TXBAKIKUKJUELA", "hf_user": "Ku-ku", "display_name": "KK-M-0831-399", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 54.176, "axes": {"activity": 16.46, "binding": 12.68, "selectivity": 12.68, "admet": 5.74, "novelty": 4.26, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.588, "fraction": 0.549}, "binding": {"pIC50": 6.9, "LE": 0.378, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 103.2, "selectivity_term": 1.0, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.817, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.63, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.478, "herg": 0.084, "dili": 0.762}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.587865544512061, "aff_pf": -0.9026572505633036, "aff_hs": 1.1112312475840251, "repeats_pf": {"runs": 3, "values": [-0.8609, -0.9162, -0.9308], "mean": -0.9027, "spread": 0.0699}, "repeats_hs": {"runs": 3, "values": [1.1269, 1.0656, 1.1412], "mean": 1.1112, "spread": 0.0756}, "at": 1788192106}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.391, "total_ci95": [53.302, 54.734], "relegate_reason": [], "submitted_at": 1788186887, "scored_at": 1788192106, "rank": 1506}, {"candidate_id": "ODC-CAF9B4", "res_at": 1786914487, "skeleton": "AAEWICZDZBZSJR", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-9th", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 54.172, "axes": {"activity": 16.91, "binding": 16.61, "selectivity": 6.76, "admet": 6.14, "novelty": 4.43, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.614, "fraction": 0.564}, "binding": {"pIC50": 7.49, "LE": 0.428, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.166, "ld50-zhu": 0.429, "herg": 0.732, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.614310474913377, "aff_pf": -1.4915229479471843, "aff_hs": -0.6772745847702026, "repeats_pf": {"runs": 3, "values": [-1.5111, -1.4692, -1.4943], "mean": -1.4915, "spread": 0.042}, "repeats_hs": {"runs": 3, "values": [-0.6709, -0.7131, -0.6478], "mean": -0.6773, "spread": 0.0653}, "at": 1786914487}, "tier": 1, "relegate_reason": [], "submitted_at": 1786914124, "scored_at": 1786914487, "alerts": [], "rank": 1507}, {"candidate_id": "ODC-06C4DE", "res_at": 1789263273, "skeleton": "LSHVFAVFPHAFKJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 54.166, "axes": {"activity": 15.32, "binding": 14.68, "selectivity": 12.37, "admet": 4.68, "novelty": 3.73, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.519, "fraction": 0.511}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.4, "selectivity_term": 0.843, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.424, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.361, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.519019788305863, "aff_pf": -1.2025188207626343, "aff_hs": 0.4826333125432332, "repeats_pf": {"runs": 3, "values": [-1.2004, -1.2108, -1.1964], "mean": -1.2025, "spread": 0.0144}, "repeats_hs": {"runs": 3, "values": [0.6227, 0.3666, 0.4587], "mean": 0.4826, "spread": 0.2561}, "at": 1789263273}, "tier": 1, "alerts": [], "total_sd": 0.46, "total_ci95": [53.347, 55.106], "relegate_reason": [], "submitted_at": 1789262640, "scored_at": 1789263273, "rank": 1508}, {"candidate_id": "ODC-C95916", "res_at": 1788342540, "skeleton": "LQKUTYSGLKTIRK", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-15]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 54.164, "axes": {"activity": 22.38, "binding": 13.44, "selectivity": 5.47, "admet": 5.23, "novelty": 4.4, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.943, "fraction": 0.746}, "binding": {"pIC50": 7.02, "LE": 0.384, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.307, "herg": 0.325, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.943064089047643, "aff_pf": -1.0156238476435344, "aff_hs": -0.2021986444791158, "repeats_pf": {"runs": 3, "values": [-0.9799, -1.0857, -0.9813], "mean": -1.0156, "spread": 0.1058}, "repeats_hs": {"runs": 3, "values": [-0.1391, -0.1439, -0.3236], "mean": -0.2022, "spread": 0.1845}, "at": 1788342540}, "tier": 1, "alerts": [], "total_sd": 0.535, "total_ci95": [53.202, 55.309], "relegate_reason": [], "submitted_at": 1788342361, "scored_at": 1788342540, "rank": 1509}, {"candidate_id": "ODC-D377EA", "res_at": 1787871807, "skeleton": "OCBGOKFBDDKBLS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)(F)F", "total": 54.162, "axes": {"activity": 20.13, "binding": 16.61, "selectivity": 3.78, "admet": 5.88, "novelty": 4.22, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.808, "fraction": 0.671}, "binding": {"pIC50": 7.49, "LE": 0.395, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.227, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.538, "cyp3a4-substrate-carbonmangels": 0.603, "ld50-zhu": 0.494, "herg": 0.193, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.807572242850569, "aff_pf": -1.4908976554870605, "aff_hs": -1.0359691381454468, "repeats_pf": {"runs": 3, "values": [-1.525, -1.4767, -1.471], "mean": -1.4909, "spread": 0.054}, "repeats_hs": {"runs": 3, "values": [-1.0543, -1.0449, -1.0087], "mean": -1.036, "spread": 0.0456}, "at": 1787861575}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806884, "scored_at": 1787861575, "alerts": [], "rank": 1510}, {"candidate_id": "ODC-E269E9", "res_at": 1788060478, "skeleton": "ZUJUPXVNGWOYLX", "hf_user": "Bio-JS", "display_name": "01 A2 오쏘 2-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 54.16, "axes": {"activity": 17.6, "binding": 14.93, "selectivity": 10.43, "admet": 3.23, "novelty": 5.03, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.656, "fraction": 0.587}, "binding": {"pIC50": 7.39, "LE": 0.281, "potency_term": 0.796, "efficiency_cap": 0.937}, "selectivity": {"fold": 20.4, "selectivity_term": 0.655, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.655702927301853, "aff_pf": -1.3886347611745198, "aff_hs": -0.07885253429412842, "repeats_pf": {"runs": 3, "values": [-1.5037, -1.1319, -1.5302], "mean": -1.3886, "spread": 0.3983}, "repeats_hs": {"runs": 3, "values": [-0.2575, 0.0552, -0.0343], "mean": -0.0789, "spread": 0.3127}, "at": 1788060478}, "tier": 1, "alerts": [], "total_sd": 2.785, "total_ci95": [49.562, 58.428], "relegate_reason": [], "submitted_at": 1788017265, "scored_at": 1788060478, "rank": 1511}, {"candidate_id": "ODC-8E92D2", "res_at": 1787615714, "skeleton": "KKGDYYPPHWOHTP", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-(플루오로메틸)옥세탄-3-일 (가지F)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 54.145, "axes": {"activity": 15.48, "binding": 15.32, "selectivity": 11.74, "admet": 3.24, "novelty": 5.27, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.529, "fraction": 0.516}, "binding": {"pIC50": 7.49, "LE": 0.277, "potency_term": 0.829, "efficiency_cap": 0.924}, "selectivity": {"fold": 26.1, "selectivity_term": 0.708, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.32, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.528804830541036, "aff_pf": -1.4864473740259807, "aff_hs": -0.06977358957131703, "repeats_pf": {"runs": 3, "values": [-1.4738, -1.4771, -1.5084], "mean": -1.4864, "spread": 0.0346}, "repeats_hs": {"runs": 3, "values": [-0.0419, -0.1305, -0.0369], "mean": -0.0698, "spread": 0.0935}, "at": 1787615714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614425, "scored_at": 1787615714, "alerts": [], "rank": 1512}, {"candidate_id": "ODC-8E44F9", "res_at": 1786925714, "skeleton": "YPTYTNWUSQHLMJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.129, "axes": {"activity": 15.74, "binding": 13.63, "selectivity": 13.06, "admet": 5.26, "novelty": 3.58, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.544, "fraction": 0.525}, "binding": {"pIC50": 7.04, "LE": 0.439, "potency_term": 0.681, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.5, "selectivity_term": 0.958, "target_engagement": 0.681}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.209, "ld50-zhu": 0.509, "herg": 0.53, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.544210554176621, "aff_pf": -1.0441550413767497, "aff_hs": 0.8722918629646301, "repeats_pf": {"runs": 3, "values": [-1.0993, -1.0367, -0.9966], "mean": -1.0442, "spread": 0.1027}, "repeats_hs": {"runs": 3, "values": [0.9734, 0.808, 0.8356], "mean": 0.8723, "spread": 0.1654}, "at": 1786925714}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923218, "scored_at": 1786925714, "alerts": [], "rank": 1513}, {"candidate_id": "ODC-C4C720", "res_at": 1787417945, "skeleton": "QOBPCNDLJFGSSP", "hf_user": "1Dmeds", "display_name": "ODC26-W5", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 54.11, "axes": {"activity": 26.99, "binding": 8.11, "selectivity": 6.12, "admet": 2.96, "novelty": 6.49, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.219, "fraction": 0.9}, "binding": {"pIC50": 6.51, "LE": 0.241, "potency_term": 0.505, "efficiency_cap": 0.804}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.219, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.219482331116899, "aff_pf": -0.5138022204240164, "aff_hs": 0.6981541315714518, "repeats_pf": {"runs": 3, "values": [-0.5289, -0.5424, -0.4702], "mean": -0.5138, "spread": 0.0722}, "repeats_hs": {"runs": 3, "values": [0.7916, 0.5265, 0.7763], "mean": 0.6982, "spread": 0.265}, "at": 1787417945}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412274, "scored_at": 1787417945, "alerts": [], "rank": 1514}, {"candidate_id": "ODC-9D4653", "res_at": 1787707873, "skeleton": "SOZUBMJMVJKRNY", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 54.103, "axes": {"activity": 28.19, "binding": 7.47, "selectivity": 2.43, "admet": 7.03, "novelty": 7.28, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 6.291, "fraction": 0.94}, "binding": {"pIC50": 6.26, "LE": 0.268, "potency_term": 0.418, "efficiency_cap": 0.893}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.454, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 0.702, "pgp-broccatelli": 0.563, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.225, "novelty": 0.775}, "synthesis": {"sa_score": 4.73}}, "run": {"gpu": "3", "pAct_q10": 6.2913064476283465, "aff_pf": -0.25548601647218067, "aff_hs": 0.32469244798024494, "repeats_pf": {"runs": 3, "values": [-0.2092, -0.2035, -0.3538], "mean": -0.2555, "spread": 0.1503}, "repeats_hs": {"runs": 3, "values": [0.2606, 0.3432, 0.3703], "mean": 0.3247, "spread": 0.1097}, "at": 1787707873}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705745, "scored_at": 1787707873, "alerts": [], "rank": 1515}, {"candidate_id": "ODC-C4715E", "res_at": 1788523556, "skeleton": "IMPLDYGJCLUDDP", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 54.098, "axes": {"activity": 13.41, "binding": 16.43, "selectivity": 10.22, "admet": 6.44, "novelty": 4.69, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.46, "LE": 0.409, "potency_term": 0.821, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.622, "target_engagement": 0.821}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.201, "ld50-zhu": 0.535, "herg": 0.46, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "0", "pAct_q10": 5.404850231840503, "aff_pf": -1.4642575184504192, "aff_hs": -0.21985297401746115, "repeats_pf": {"runs": 3, "values": [-1.4461, -1.4721, -1.4746], "mean": -1.4643, "spread": 0.0284}, "repeats_hs": {"runs": 3, "values": [-0.1885, -0.2163, -0.2547], "mean": -0.2199, "spread": 0.0662}, "at": 1788523556}, "tier": 1, "alerts": [], "total_sd": 0.208, "total_ci95": [53.704, 54.516], "relegate_reason": [], "submitted_at": 1788489407, "scored_at": 1788523556, "rank": 1516}, {"candidate_id": "ODC-0E01EC", "res_at": 1789380567, "skeleton": "KTUREJBBVHIPIY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.097, "axes": {"activity": 13.4, "binding": 16.21, "selectivity": 10.91, "admet": 5.74, "novelty": 4.44, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 7.43, "LE": 0.407, "potency_term": 0.81, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.2, "selectivity_term": 0.673, "target_engagement": 0.81}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.646, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.488, "herg": 0.146, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.403837876338549, "aff_pf": -1.4308294852574666, "aff_hs": -0.08408136169115703, "repeats_pf": {"runs": 3, "values": [-1.4407, -1.3956, -1.4562], "mean": -1.4308, "spread": 0.0606}, "repeats_hs": {"runs": 3, "values": [-0.0736, -0.0582, -0.1204], "mean": -0.0841, "spread": 0.0623}, "at": 1789380567}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [53.267, 54.77], "relegate_reason": [], "submitted_at": 1789365719, "scored_at": 1789380567, "rank": 1517}, {"candidate_id": "ODC-651910", "res_at": 1787417556, "skeleton": "JNTCJPCDKWGVHV", "hf_user": "1Dmeds", "display_name": "ODC26-W3", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 54.096, "axes": {"activity": 27.65, "binding": 9.8, "selectivity": 3.33, "admet": 3.02, "novelty": 6.68, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 6.259, "fraction": 0.922}, "binding": {"pIC50": 6.72, "LE": 0.256, "potency_term": 0.574, "efficiency_cap": 0.853}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.574}, "admet": {"geometric_mean": 0.218, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.653, "herg": 0.076, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.259029296701659, "aff_pf": -0.7229300936063131, "aff_hs": -0.1423552210132281, "repeats_pf": {"runs": 3, "values": [-0.5035, -0.8528, -0.8125], "mean": -0.7229, "spread": 0.3492}, "repeats_hs": {"runs": 3, "values": [-0.1387, -0.1746, -0.1137], "mean": -0.1424, "spread": 0.0608}, "at": 1787417556}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412261, "scored_at": 1787417556, "alerts": [], "rank": 1518}, {"candidate_id": "ODC-C73A84", "res_at": 1788417946, "skeleton": "LDRBCWLDFFKIMU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV31", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 54.088, "axes": {"activity": 30.0, "binding": 7.45, "selectivity": 1.86, "admet": 4.99, "novelty": 7.14, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 6.637, "fraction": 1.0}, "binding": {"pIC50": 6.25, "LE": 0.268, "potency_term": 0.417, "efficiency_cap": 0.892}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.417}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 0.554, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.891, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 4.15}}, "run": {"gpu": "0", "pAct_q10": 6.636924430322602, "aff_pf": -0.2523083984851837, "aff_hs": 0.1936935087045034, "repeats_pf": {"runs": 3, "values": [-0.1359, -0.5096, -0.1114], "mean": -0.2523, "spread": 0.3983}, "repeats_hs": {"runs": 3, "values": [0.0187, 0.3852, 0.1771], "mean": 0.1937, "spread": 0.3666}, "at": 1788417946}, "tier": 1, "alerts": [], "total_sd": 1.496, "total_ci95": [52.008, 57.665], "relegate_reason": [], "submitted_at": 1788359362, "scored_at": 1788417946, "rank": 1519}, {"candidate_id": "ODC-DC206B", "res_at": 1788511409, "skeleton": "HLBPDDNTHCUKRR", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Cl/p-MeCF2", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.065, "axes": {"activity": 16.53, "binding": 15.18, "selectivity": 10.51, "admet": 5.29, "novelty": 3.07, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.592, "fraction": 0.551}, "binding": {"pIC50": 7.28, "LE": 0.433, "potency_term": 0.759, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.2, "selectivity_term": 0.692, "target_engagement": 0.759}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.456, "ld50-zhu": 0.492, "herg": 0.865, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.591787677947811, "aff_pf": -1.277075211207072, "aff_hs": 0.10741366694370906, "repeats_pf": {"runs": 3, "values": [-1.3044, -1.2673, -1.2596], "mean": -1.2771, "spread": 0.0448}, "repeats_hs": {"runs": 3, "values": [0.1026, 0.1387, 0.0809], "mean": 0.1074, "spread": 0.0579}, "at": 1788511409}, "tier": 1, "alerts": [], "total_sd": 0.281, "total_ci95": [53.562, 54.665], "relegate_reason": [], "submitted_at": 1788487212, "scored_at": 1788511409, "rank": 1520}, {"candidate_id": "ODC-3A75DF", "res_at": 1789919032, "skeleton": "PGDUJRQUDHBJOZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.065, "axes": {"activity": 17.24, "binding": 18.07, "selectivity": 5.23, "admet": 5.1, "novelty": 4.67, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.634, "fraction": 0.575}, "binding": {"pIC50": 7.71, "LE": 0.391, "potency_term": 0.904, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.904}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.649, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.972, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.252, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.634396249364629, "aff_pf": -1.7108237346013386, "aff_hs": -1.1318995952606201, "repeats_pf": {"runs": 3, "values": [-1.7317, -1.689, -1.7118], "mean": -1.7108, "spread": 0.0427}, "repeats_hs": {"runs": 3, "values": [-1.1667, -1.1239, -1.1051], "mean": -1.1319, "spread": 0.0616}, "at": 1789919032}, "tier": 1, "alerts": [], "total_sd": 0.272, "total_ci95": [53.559, 54.631], "relegate_reason": [], "submitted_at": 1789758057, "scored_at": 1789919032, "rank": 1521}, {"candidate_id": "ODC-888067", "res_at": 1786926274, "skeleton": "XNNBUVBEDKOEBU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 54.056, "axes": {"activity": 17.86, "binding": 13.75, "selectivity": 12.15, "admet": 4.34, "novelty": 3.11, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.672, "fraction": 0.595}, "binding": {"pIC50": 7.06, "LE": 0.358, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.5, "selectivity_term": 0.884, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.413, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.533, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.671641093232144, "aff_pf": -1.0631015300750732, "aff_hs": 0.7039764126141866, "repeats_pf": {"runs": 3, "values": [-1.063, -1.0791, -1.0471], "mean": -1.0631, "spread": 0.032}, "repeats_hs": {"runs": 3, "values": [0.7279, 0.6887, 0.6953], "mean": 0.704, "spread": 0.0392}, "at": 1786926274}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923255, "scored_at": 1786926274, "alerts": [], "rank": 1522}, {"candidate_id": "ODC-23EB62", "res_at": 1786983586, "skeleton": "GFIWTIHMFWRMAM", "hf_user": "1Dmeds", "display_name": "ODC26-R7A-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.04, "axes": {"activity": 9.75, "binding": 16.76, "selectivity": 13.94, "admet": 5.42, "novelty": 4.54, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.185, "fraction": 0.325}, "binding": {"pIC50": 7.51, "LE": 0.468, "potency_term": 0.838, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.0, "selectivity_term": 0.832, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.378, "ld50-zhu": 0.349, "herg": 0.297, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.185161349469424, "aff_pf": -1.5136588017145793, "aff_hs": 0.14946027596791586, "repeats_pf": {"runs": 3, "values": [-1.5182, -1.4611, -1.5616], "mean": -1.5137, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [0.3142, 0.0854, 0.0488], "mean": 0.1495, "spread": 0.2655}, "at": 1786983586}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979581, "scored_at": 1786983586, "alerts": [], "rank": 1523}, {"candidate_id": "ODC-9EF190", "res_at": 1787173147, "skeleton": "JSWQXMPMAAMOHP", "hf_user": "1Dmeds", "display_name": "ODC26-FN-08", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········cc1Cl", "total": 54.036, "axes": {"activity": 22.76, "binding": 13.63, "selectivity": 4.63, "admet": 5.4, "novelty": 4.3, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.965, "fraction": 0.759}, "binding": {"pIC50": 7.04, "LE": 0.42, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.713, "ld50-zhu": 0.386, "herg": 0.673, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.965499665599239, "aff_pf": -1.0448954900105794, "aff_hs": -0.36552857359250385, "repeats_pf": {"runs": 3, "values": [-1.1866, -1.145, -0.8032], "mean": -1.0449, "spread": 0.3834}, "repeats_hs": {"runs": 3, "values": [-0.3688, -0.3491, -0.3787], "mean": -0.3655, "spread": 0.0296}, "at": 1787173147}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171672, "scored_at": 1787173147, "alerts": [], "rank": 1524}, {"candidate_id": "ODC-845F71", "res_at": 1786864672, "skeleton": "VSBARQMPYDXOOZ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.008, "axes": {"activity": 12.48, "binding": 16.6, "selectivity": 11.03, "admet": 7.01, "novelty": 3.26, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 7.49, "LE": 0.428, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.3, "selectivity_term": 0.665, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.45, "cyp3a4-substrate-carbonmangels": 0.449, "ld50-zhu": 0.67, "herg": 0.573, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.348753630987477, "aff_pf": -1.4905446767807007, "aff_hs": -0.16133567442496619, "repeats_pf": {"runs": 3, "values": [-1.5476, -1.4943, -1.4298], "mean": -1.4905, "spread": 0.1177}, "repeats_hs": {"runs": 3, "values": [-0.1161, -0.185, -0.183], "mean": -0.1613, "spread": 0.0689}, "at": 1786864672}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857072, "scored_at": 1786864672, "alerts": [], "rank": 1525}, {"candidate_id": "ODC-AA55BF", "res_at": 1789301373, "skeleton": "QWQHXFIOGQWKKL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.005, "axes": {"activity": 14.98, "binding": 16.21, "selectivity": 8.78, "admet": 6.32, "novelty": 3.98, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.499}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.787, "ld50-zhu": 0.678, "herg": 0.476, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.498980824304519, "aff_pf": -1.4321748812993367, "aff_hs": -0.34961991508801776, "repeats_pf": {"runs": 3, "values": [-1.4897, -1.3698, -1.437], "mean": -1.4322, "spread": 0.12}, "repeats_hs": {"runs": 3, "values": [-0.3892, -0.3208, -0.3388], "mean": -0.3496, "spread": 0.0684}, "at": 1789301373}, "tier": 1, "alerts": [], "total_sd": 0.64, "total_ci95": [52.739, 55.405], "relegate_reason": [], "submitted_at": 1789297777, "scored_at": 1789301373, "rank": 1526}, {"candidate_id": "ODC-B60B23", "res_at": 1789882487, "skeleton": "KXFBGEVQDZWYTM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········c1C#N", "total": 54.005, "axes": {"activity": 25.17, "binding": 14.25, "selectivity": 1.19, "admet": 4.98, "novelty": 5.17, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 6.11, "fraction": 0.839}, "binding": {"pIC50": 7.14, "LE": 0.362, "potency_term": 0.713, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.713}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.091, "ld50-zhu": 0.513, "herg": 0.356, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "2", "pAct_q10": 6.110072262211969, "aff_pf": -1.1379862626393635, "aff_hs": -0.9716848532358805, "repeats_pf": {"runs": 3, "values": [-1.1223, -1.1795, -1.1121], "mean": -1.138, "spread": 0.0674}, "repeats_hs": {"runs": 3, "values": [-1.0531, -0.9445, -0.9175], "mean": -0.9717, "spread": 0.1357}, "at": 1789882487}, "tier": 1, "alerts": [], "total_sd": 0.338, "total_ci95": [53.377, 54.654], "relegate_reason": [], "submitted_at": 1789657735, "scored_at": 1789882487, "rank": 1527}, {"candidate_id": "ODC-1F000E", "res_at": 1787707487, "skeleton": "SKDFZLCNQPDYDR", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.985, "axes": {"activity": 29.04, "binding": 8.01, "selectivity": 0.0, "admet": 8.06, "novelty": 7.34, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 6.342, "fraction": 0.968}, "binding": {"pIC50": 6.33, "LE": 0.271, "potency_term": 0.443, "efficiency_cap": 0.903}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.443}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.679, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.776, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 4.89}}, "run": {"gpu": "3", "pAct_q10": 6.342216213061814, "aff_pf": -0.3303944567839305, "aff_hs": -0.3748120069503784, "repeats_pf": {"runs": 3, "values": [-0.2075, -0.2379, -0.5458], "mean": -0.3304, "spread": 0.3383}, "repeats_hs": {"runs": 3, "values": [-0.3318, -0.3821, -0.4105], "mean": -0.3748, "spread": 0.0787}, "at": 1787707487}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705720, "scored_at": 1787707487, "alerts": [], "rank": 1528}, {"candidate_id": "ODC-90F220", "res_at": 1787871735, "skeleton": "MUJINBXHIZIIFM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.981, "axes": {"activity": 15.74, "binding": 15.15, "selectivity": 8.3, "admet": 7.04, "novelty": 4.42, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 7.27, "LE": 0.433, "potency_term": 0.758, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.5, "selectivity_term": 0.548, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.89, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.516, "herg": 0.825, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.544613012240312, "aff_pf": -1.2729799350102742, "aff_hs": -0.1777358278632164, "repeats_pf": {"runs": 3, "values": [-1.3921, -1.2201, -1.2068], "mean": -1.273, "spread": 0.1853}, "repeats_hs": {"runs": 3, "values": [-0.2197, -0.1189, -0.1946], "mean": -0.1777, "spread": 0.1008}, "at": 1787858215}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800789, "scored_at": 1787858215, "alerts": [], "rank": 1529}, {"candidate_id": "ODC-1744D7", "res_at": 1789051429, "skeleton": "VHESFANNVOBWQW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.98, "axes": {"activity": 17.76, "binding": 15.47, "selectivity": 9.89, "admet": 5.1, "novelty": 2.53, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 7.32, "LE": 0.386, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.639, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.505, "cyp3a4-substrate-carbonmangels": 0.15, "ld50-zhu": 0.556, "herg": 0.07, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.672, "novelty": 0.328}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.665878635658455, "aff_pf": -1.3206894795099895, "aff_hs": -0.042644610007603966, "repeats_pf": {"runs": 3, "values": [-1.3173, -1.2794, -1.3653], "mean": -1.3207, "spread": 0.0859}, "repeats_hs": {"runs": 3, "values": [-0.0233, -0.0528, -0.0518], "mean": -0.0426, "spread": 0.0295}, "at": 1789051429}, "tier": 1, "alerts": [], "total_sd": 0.495, "total_ci95": [53.019, 54.727], "relegate_reason": [], "submitted_at": 1789040867, "scored_at": 1789051429, "rank": 1530}, {"candidate_id": "ODC-A1FD01", "res_at": 1786880802, "skeleton": "LNPHGKHMXYJOHC", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.975, "axes": {"activity": 14.11, "binding": 15.81, "selectivity": 11.16, "admet": 5.06, "novelty": 4.48, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.47}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.8, "selectivity_term": 0.706, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.816, "ld50-zhu": 0.518, "herg": 0.431, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.446822625472078, "aff_pf": -1.3710661729176838, "aff_hs": 0.04045883814493815, "repeats_pf": {"runs": 3, "values": [-1.357, -1.3944, -1.3618], "mean": -1.3711, "spread": 0.0374}, "repeats_hs": {"runs": 3, "values": [-0.0043, 0.0738, 0.0518], "mean": 0.0405, "spread": 0.0781}, "at": 1786880802}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875270, "scored_at": 1786880802, "alerts": [], "rank": 1531}, {"candidate_id": "ODC-AFF9DC", "res_at": 1787455416, "skeleton": "UVOQANJPCNIMQV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.974, "axes": {"activity": 21.47, "binding": 13.13, "selectivity": 7.77, "admet": 4.19, "novelty": 4.77, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.888, "fraction": 0.716}, "binding": {"pIC50": 6.97, "LE": 0.382, "potency_term": 0.656, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.3, "selectivity_term": 0.592, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.507, "ld50-zhu": 0.51, "herg": 0.631, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.88790243756083, "aff_pf": -0.9690388838450114, "aff_hs": 0.21442808707555136, "repeats_pf": {"runs": 3, "values": [-0.9385, -1.0199, -0.9487], "mean": -0.969, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [0.2175, 0.2614, 0.1644], "mean": 0.2144, "spread": 0.097}, "at": 1787455416}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453377, "scored_at": 1787455416, "alerts": [], "rank": 1532}, {"candidate_id": "ODC-0CAB88", "res_at": 1789262878, "skeleton": "WPFZCCJNYRIDMA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.971, "axes": {"activity": 15.92, "binding": 15.62, "selectivity": 10.55, "admet": 4.83, "novelty": 3.72, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.531}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.617, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.554926250489231, "aff_pf": -1.3426285982131958, "aff_hs": 0.007964104413986206, "repeats_pf": {"runs": 3, "values": [-1.3945, -1.3738, -1.2597], "mean": -1.3426, "spread": 0.1348}, "repeats_hs": {"runs": 3, "values": [0.1531, -0.0311, -0.0981], "mean": 0.008, "spread": 0.2512}, "at": 1789262878}, "tier": 1, "alerts": [], "total_sd": 0.981, "total_ci95": [52.257, 55.873], "relegate_reason": [], "submitted_at": 1789262549, "scored_at": 1789262878, "rank": 1533}, {"candidate_id": "ODC-7E18E3", "res_at": 1789099330, "skeleton": "IELJYCQXJDFPKJ", "hf_user": "Ku-ku", "display_name": "KK-M-0911-186", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)[S··········)n2n1", "total": 53.968, "axes": {"activity": 17.53, "binding": 13.32, "selectivity": 11.45, "admet": 5.24, "novelty": 4.73, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.652, "fraction": 0.584}, "binding": {"pIC50": 7.0, "LE": 0.331, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.4, "selectivity_term": 0.86, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.57, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.608, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.553, "herg": 0.265, "dili": 0.269}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 4.22}}, "run": {"gpu": "0", "pAct_q10": 5.651880754215576, "aff_pf": -0.9979684154192606, "aff_hs": 0.7214745084444681, "repeats_pf": {"runs": 3, "values": [-1.0247, -0.9843, -0.985], "mean": -0.998, "spread": 0.0404}, "repeats_hs": {"runs": 3, "values": [0.6593, 0.7839, 0.7212], "mean": 0.7215, "spread": 0.1245}, "at": 1789099330}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.357, "total_ci95": [53.359, 54.723], "relegate_reason": [], "submitted_at": 1789089391, "scored_at": 1789099330, "rank": 1534}, {"candidate_id": "ODC-EBF12C", "res_at": 1789269706, "skeleton": "ZPPLPUHABUPLAM", "hf_user": "Ku-ku", "display_name": "KK-M-0913-626", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 53.963, "axes": {"activity": 30.0, "binding": 5.54, "selectivity": 2.21, "admet": 5.16, "novelty": 7.38, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.584, "fraction": 1.0}, "binding": {"pIC50": 6.03, "LE": 0.243, "potency_term": 0.342, "efficiency_cap": 0.81}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.342}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 0.906, "pgp-broccatelli": 0.817, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.88, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "0", "pAct_q10": 6.583539002202009, "aff_pf": -0.027245548864205677, "aff_hs": 0.6177801489830017, "repeats_pf": {"runs": 3, "values": [-0.0707, -0.0368, 0.0258], "mean": -0.0272, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [0.7227, 0.6773, 0.4534], "mean": 0.6178, "spread": 0.2693}, "at": 1789269706}, "tier": 1, "alerts": [], "total_sd": 0.365, "total_ci95": [53.296, 54.701], "relegate_reason": [], "submitted_at": 1789263757, "scored_at": 1789269706, "rank": 1535}, {"candidate_id": "ODC-6A16ED", "res_at": 1789384944, "skeleton": "SQIQNLDQLJTDQS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 53.962, "axes": {"activity": 10.48, "binding": 17.4, "selectivity": 12.79, "admet": 4.78, "novelty": 4.27, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 7.61, "LE": 0.453, "potency_term": 0.87, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.5, "selectivity_term": 0.735, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.365, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 5.228563534505971, "aff_pf": -1.6100595792134602, "aff_hs": -0.13999436299006143, "repeats_pf": {"runs": 3, "values": [-1.5741, -1.6346, -1.6215], "mean": -1.6101, "spread": 0.0605}, "repeats_hs": {"runs": 3, "values": [-0.1789, -0.2531, 0.012], "mean": -0.14, "spread": 0.2651}, "at": 1789384944}, "tier": 1, "alerts": [], "total_sd": 0.629, "total_ci95": [52.842, 55.397], "relegate_reason": [], "submitted_at": 1789366147, "scored_at": 1789384944, "rank": 1536}, {"candidate_id": "ODC-42E0A6", "res_at": 1787082618, "skeleton": "UNGFPXSODMTDQG", "hf_user": "1Dmeds", "display_name": "ODC26-MB-19", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.959, "axes": {"activity": 20.87, "binding": 12.6, "selectivity": 8.17, "admet": 5.13, "novelty": 4.42, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.852, "fraction": 0.696}, "binding": {"pIC50": 6.89, "LE": 0.378, "potency_term": 0.63, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.63}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.474, "herg": 0.604, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "2", "pAct_q10": 5.852238203243947, "aff_pf": -0.8901353677113851, "aff_hs": 0.4065793255964915, "repeats_pf": {"runs": 3, "values": [-0.8885, -0.8883, -0.8936], "mean": -0.8901, "spread": 0.0053}, "repeats_hs": {"runs": 3, "values": [0.4244, 0.3083, 0.4871], "mean": 0.4066, "spread": 0.1788}, "at": 1787082618}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069720, "scored_at": 1787082618, "alerts": [], "rank": 1537}, {"candidate_id": "ODC-242EF3", "res_at": 1788772527, "skeleton": "ZKJSVJXNEGDCOC", "hf_user": "Bio-JS", "display_name": "0906-S1-20 SMe/F/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.954, "axes": {"activity": 12.82, "binding": 16.5, "selectivity": 11.23, "admet": 5.3, "novelty": 4.67, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.369, "fraction": 0.427}, "binding": {"pIC50": 7.47, "LE": 0.427, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.542, "ld50-zhu": 0.458, "herg": 0.596, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.368972011392172, "aff_pf": -1.4743272066116333, "aff_hs": -0.11292070150375366, "repeats_pf": {"runs": 3, "values": [-1.4994, -1.4413, -1.4823], "mean": -1.4743, "spread": 0.058}, "repeats_hs": {"runs": 3, "values": [-0.1733, -0.0701, -0.0953], "mean": -0.1129, "spread": 0.1032}, "at": 1788772527}, "tier": 1, "alerts": [], "total_sd": 0.425, "total_ci95": [53.137, 54.793], "relegate_reason": [], "submitted_at": 1788666030, "scored_at": 1788772527, "rank": 1538}, {"candidate_id": "ODC-00BD4D", "res_at": 1787584023, "skeleton": "RYTMTKKYUPSTOT", "hf_user": "takutoyo", "display_name": "PfD17-10", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 53.934, "axes": {"activity": 29.08, "binding": 10.13, "selectivity": 1.74, "admet": 3.43, "novelty": 6.69, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 6.345, "fraction": 0.969}, "binding": {"pIC50": 6.81, "LE": 0.252, "potency_term": 0.603, "efficiency_cap": 0.84}, "selectivity": {"fold": 1.9, "selectivity_term": 0.145, "target_engagement": 0.603}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.799, "herg": 0.071, "dili": 0.124}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "3", "pAct_q10": 6.344892620144981, "aff_pf": -0.808131734530131, "aff_hs": -0.5187958776950836, "repeats_pf": {"runs": 3, "values": [-0.6679, -1.0688, -0.6877], "mean": -0.8081, "spread": 0.401}, "repeats_hs": {"runs": 3, "values": [-0.2783, -0.6518, -0.6263], "mean": -0.5188, "spread": 0.3734}, "at": 1787584023}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581747, "scored_at": 1787584023, "alerts": [], "rank": 1539}, {"candidate_id": "ODC-53A737", "res_at": 1788188542, "skeleton": "GLJHTRPQIQMXDQ", "hf_user": "Ku-ku", "display_name": "KK-M-0831-452", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········F)c1F", "total": 53.918, "axes": {"activity": 22.28, "binding": 15.38, "selectivity": 4.45, "admet": 3.81, "novelty": 5.69, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.937, "fraction": 0.743}, "binding": {"pIC50": 7.31, "LE": 0.357, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.683, "ld50-zhu": 0.396, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.936610922512351, "aff_pf": -1.3065023024876912, "aff_hs": -0.7280865510304769, "repeats_pf": {"runs": 3, "values": [-1.3737, -1.1959, -1.3499], "mean": -1.3065, "spread": 0.1779}, "repeats_hs": {"runs": 3, "values": [-0.7582, -0.7254, -0.7007], "mean": -0.7281, "spread": 0.0576}, "at": 1788188542}, "tier": 1, "alerts": [], "total_sd": 0.95, "total_ci95": [51.894, 55.436], "relegate_reason": [], "submitted_at": 1788186774, "scored_at": 1788188542, "rank": 1540}, {"candidate_id": "ODC-AEFE1E", "res_at": 1789203606, "skeleton": "LPAGKUFXGHTILA", "hf_user": "Bio-JS", "display_name": "0912-S1-anil_OCHF2_Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.908, "axes": {"activity": 13.49, "binding": 17.38, "selectivity": 9.14, "admet": 5.69, "novelty": 4.19, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 7.61, "LE": 0.434, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.737, "herg": 0.335, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.409197073968411, "aff_pf": -1.6065974235534668, "aff_hs": -0.5548908511797587, "repeats_pf": {"runs": 3, "values": [-1.6629, -1.6219, -1.535], "mean": -1.6066, "spread": 0.1279}, "repeats_hs": {"runs": 3, "values": [-0.5686, -0.5125, -0.5836], "mean": -0.5549, "spread": 0.0711}, "at": 1789203606}, "tier": 1, "alerts": [], "total_sd": 0.755, "total_ci95": [52.193, 55.159], "relegate_reason": [], "submitted_at": 1789177515, "scored_at": 1789203606, "rank": 1541}, {"candidate_id": "ODC-EF90E1", "res_at": 1788237196, "skeleton": "BYZPKRMOSGZIDD", "hf_user": "Bio-JS", "display_name": "0901-S1 CF3-옥세탄 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 53.906, "axes": {"activity": 18.39, "binding": 13.77, "selectivity": 11.1, "admet": 3.26, "novelty": 4.73, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.703, "fraction": 0.613}, "binding": {"pIC50": 7.34, "LE": 0.265, "potency_term": 0.78, "efficiency_cap": 0.882}, "selectivity": {"fold": 26.5, "selectivity_term": 0.712, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.805, "herg": 0.05, "dili": 0.189}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.703118023477459, "aff_pf": -1.340857982635498, "aff_hs": 0.08216850521663825, "repeats_pf": {"runs": 3, "values": [-1.3368, -1.3579, -1.3279], "mean": -1.3409, "spread": 0.03}, "repeats_hs": {"runs": 3, "values": [-0.0616, 0.3101, -0.002], "mean": 0.0822, "spread": 0.3717}, "at": 1788237196}, "tier": 1, "alerts": [], "total_sd": 0.756, "total_ci95": [52.757, 55.685], "relegate_reason": [], "submitted_at": 1788222291, "scored_at": 1788237196, "rank": 1542}, {"candidate_id": "ODC-B18F22", "res_at": 1787654217, "skeleton": "FVPXYBRNYCXEOG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.888, "axes": {"activity": 26.84, "binding": 8.09, "selectivity": 2.26, "admet": 8.29, "novelty": 6.81, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 6.21, "fraction": 0.895}, "binding": {"pIC50": 6.31, "LE": 0.279, "potency_term": 0.435, "efficiency_cap": 0.929}, "selectivity": {"fold": 3.3, "selectivity_term": 0.259, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.618, "per_endpoint": {"solubility-aqsoldb": 0.883, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 0.695, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.138, "ld50-zhu": 0.773, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 4.75}}, "run": {"gpu": "3", "pAct_q10": 6.210493089200054, "aff_pf": -0.30630416174729663, "aff_hs": 0.21196126441160837, "repeats_pf": {"runs": 3, "values": [-0.2677, -0.2073, -0.444], "mean": -0.3063, "spread": 0.2367}, "repeats_hs": {"runs": 3, "values": [0.3725, 0.0819, 0.1816], "mean": 0.212, "spread": 0.2906}, "at": 1787654217}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648084, "scored_at": 1787654217, "alerts": [], "rank": 1543}, {"candidate_id": "ODC-FD013B", "res_at": 1788154750, "skeleton": "ZWSNYZRMGPUIIP", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 53.885, "axes": {"activity": 11.87, "binding": 17.99, "selectivity": 9.56, "admet": 6.67, "novelty": 4.72, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 7.7, "LE": 0.422, "potency_term": 0.899, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.532, "target_engagement": 0.899}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.312080807198757, "aff_pf": -1.6981785297393799, "aff_hs": -0.6347293257713318, "repeats_pf": {"runs": 3, "values": [-1.6867, -1.6871, -1.7206], "mean": -1.6982, "spread": 0.0339}, "repeats_hs": {"runs": 3, "values": [-0.6387, -0.6172, -0.6482], "mean": -0.6347, "spread": 0.031}, "at": 1788154750}, "tier": 1, "alerts": [], "total_sd": 0.247, "total_ci95": [53.521, 54.401], "relegate_reason": [], "submitted_at": 1788145004, "scored_at": 1788154750, "rank": 1544}, {"candidate_id": "ODC-DB6045", "res_at": 1787634106, "skeleton": "QPAMBYAJBYKSLZ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.879, "axes": {"activity": 13.99, "binding": 16.0, "selectivity": 12.24, "admet": 5.14, "novelty": 2.95, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.44, "fraction": 0.466}, "binding": {"pIC50": 7.4, "LE": 0.39, "potency_term": 0.8, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.8, "selectivity_term": 0.765, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.11, "ld50-zhu": 0.706, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.439544079599406, "aff_pf": -1.4005098342895508, "aff_hs": 0.12901955594619116, "repeats_pf": {"runs": 3, "values": [-1.4347, -1.4487, -1.3181], "mean": -1.4005, "spread": 0.1306}, "repeats_hs": {"runs": 3, "values": [0.1155, 0.1544, 0.1171], "mean": 0.129, "spread": 0.0389}, "at": 1787634106}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633755, "scored_at": 1787634106, "alerts": [], "rank": 1545}, {"candidate_id": "ODC-0FDA84", "res_at": 1787906061, "skeleton": "VTZGQRTYCVZQRH", "hf_user": "Bio-JS", "display_name": "D3 옥세탄/CHF2/설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 53.86, "axes": {"activity": 16.93, "binding": 14.29, "selectivity": 12.16, "admet": 2.83, "novelty": 4.91, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.564}, "binding": {"pIC50": 7.36, "LE": 0.273, "potency_term": 0.787, "efficiency_cap": 0.908}, "selectivity": {"fold": 35.1, "selectivity_term": 0.773, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.393, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.578, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.615794426408745, "aff_pf": -1.3599100907643635, "aff_hs": 0.18537100652853647, "repeats_pf": {"runs": 3, "values": [-1.2526, -1.3822, -1.445], "mean": -1.3599, "spread": 0.1924}, "repeats_hs": {"runs": 3, "values": [0.121, 0.2515, 0.1836], "mean": 0.1854, "spread": 0.1305}, "at": 1787906061}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897120, "scored_at": 1787906061, "alerts": [], "rank": 1546}, {"candidate_id": "ODC-FAB929", "res_at": 1786922896, "skeleton": "DAPYQKDREUWGNJ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-10th", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.858, "axes": {"activity": 13.75, "binding": 14.38, "selectivity": 13.23, "admet": 5.62, "novelty": 3.97, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.425, "fraction": 0.458}, "binding": {"pIC50": 7.16, "LE": 0.426, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 69.2, "selectivity_term": 0.92, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.258, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.524, "herg": 0.911, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.425151703275195, "aff_pf": -1.1565624872843425, "aff_hs": 0.6834683418273926, "repeats_pf": {"runs": 3, "values": [-1.1617, -1.1861, -1.1218], "mean": -1.1566, "spread": 0.0643}, "repeats_hs": {"runs": 3, "values": [0.7221, 0.6237, 0.7046], "mean": 0.6835, "spread": 0.0985}, "at": 1786922896}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921585, "scored_at": 1786922896, "alerts": [], "rank": 1547}, {"candidate_id": "ODC-2C1DFF", "res_at": 1786877807, "skeleton": "IUOJDPSSZVFADI", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.848, "axes": {"activity": 11.27, "binding": 16.45, "selectivity": 12.88, "admet": 5.14, "novelty": 4.74, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.276, "fraction": 0.376}, "binding": {"pIC50": 7.47, "LE": 0.409, "potency_term": 0.823, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.8, "selectivity_term": 0.783, "target_engagement": 0.823}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.381, "ld50-zhu": 0.665, "herg": 0.299, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.2760358065248445, "aff_pf": -1.467663566271464, "aff_hs": 0.09796838648617268, "repeats_pf": {"runs": 3, "values": [-1.4639, -1.4753, -1.4637], "mean": -1.4677, "spread": 0.0116}, "repeats_hs": {"runs": 3, "values": [-0.0339, 0.3473, -0.0195], "mean": 0.098, "spread": 0.3812}, "at": 1786877807}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867898, "scored_at": 1786877807, "alerts": [], "rank": 1548}, {"candidate_id": "ODC-B93354", "res_at": 1787208131, "skeleton": "RHISGPSIJYFOTE", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 53.847, "axes": {"activity": 29.03, "binding": 7.7, "selectivity": 1.75, "admet": 4.28, "novelty": 7.02, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.342, "fraction": 0.968}, "binding": {"pIC50": 6.42, "LE": 0.244, "potency_term": 0.473, "efficiency_cap": 0.814}, "selectivity": {"fold": 2.3, "selectivity_term": 0.185, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.067, "dili": 0.287}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 6.341977747764571, "aff_pf": -0.4186806380748749, "aff_hs": -0.0486589769522349, "repeats_pf": {"runs": 3, "values": [-0.2262, -0.5289, -0.501], "mean": -0.4187, "spread": 0.3027}, "repeats_hs": {"runs": 3, "values": [-0.1332, 0.1606, -0.1734], "mean": -0.0487, "spread": 0.334}, "at": 1787208131}, "tier": 1, "relegate_reason": [], "submitted_at": 1787205272, "scored_at": 1787208131, "alerts": [], "rank": 1549}, {"candidate_id": "ODC-5B1DEF", "res_at": 1787084451, "skeleton": "QMNKYDUHHHLWJZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.845, "axes": {"activity": 13.03, "binding": 14.18, "selectivity": 13.6, "admet": 5.7, "novelty": 4.62, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 7.13, "LE": 0.424, "potency_term": 0.709, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.9, "selectivity_term": 0.959, "target_engagement": 0.709}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.677, "herg": 0.721, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.382094906703846, "aff_pf": -1.1262883345286052, "aff_hs": 0.792113184928894, "repeats_pf": {"runs": 3, "values": [-1.1391, -1.0635, -1.1763], "mean": -1.1263, "spread": 0.1128}, "repeats_hs": {"runs": 3, "values": [0.7561, 0.7679, 0.8524], "mean": 0.7921, "spread": 0.0963}, "at": 1787084451}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074079, "scored_at": 1787084451, "alerts": [], "rank": 1550}, {"candidate_id": "ODC-093C59", "res_at": 1787493059, "skeleton": "PKIUDKZTYXOAPC", "hf_user": "takutoyo", "display_name": "PfD15-08", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········cc2n1", "total": 53.827, "axes": {"activity": 21.85, "binding": 17.0, "selectivity": 4.33, "admet": 3.03, "novelty": 4.54, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.911, "fraction": 0.728}, "binding": {"pIC50": 7.63, "LE": 0.29, "potency_term": 0.878, "efficiency_cap": 0.968}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.878}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.435, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.135, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.910996747440216, "aff_pf": -1.6330904960632324, "aff_hs": -1.1399341424306233, "repeats_pf": {"runs": 3, "values": [-1.7033, -1.6165, -1.5795], "mean": -1.6331, "spread": 0.1238}, "repeats_hs": {"runs": 3, "values": [-0.8193, -1.2832, -1.3172], "mean": -1.1399, "spread": 0.4979}, "at": 1787493059}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491559, "scored_at": 1787493059, "alerts": [], "rank": 1551}, {"candidate_id": "ODC-B10DAE", "res_at": 1789378351, "skeleton": "YFQYSPHSRUALAE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 53.807, "axes": {"activity": 13.46, "binding": 16.73, "selectivity": 10.87, "admet": 5.7, "novelty": 3.16, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.449}, "binding": {"pIC50": 7.51, "LE": 0.429, "potency_term": 0.837, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.9, "selectivity_term": 0.65, "target_engagement": 0.837}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.91, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.395, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.407313520680334, "aff_pf": -1.5096222162246704, "aff_hs": -0.21036801735560098, "repeats_pf": {"runs": 3, "values": [-1.5173, -1.5898, -1.4217], "mean": -1.5096, "spread": 0.1681}, "repeats_hs": {"runs": 3, "values": [-0.2163, -0.3028, -0.1121], "mean": -0.2104, "spread": 0.1907}, "at": 1789378351}, "tier": 1, "alerts": [], "total_sd": 0.999, "total_ci95": [51.691, 55.737], "relegate_reason": [], "submitted_at": 1789365478, "scored_at": 1789378351, "rank": 1552}, {"candidate_id": "ODC-62E288", "res_at": 1788596507, "skeleton": "AQQMEDHGWNHNFC", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.801, "axes": {"activity": 15.11, "binding": 15.7, "selectivity": 11.58, "admet": 3.72, "novelty": 4.12, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.504}, "binding": {"pIC50": 7.35, "LE": 0.388, "potency_term": 0.785, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.9, "selectivity_term": 0.738, "target_engagement": 0.785}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.605, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.506406115742956, "aff_pf": -1.354379932085673, "aff_hs": 0.12110294898351033, "repeats_pf": {"runs": 3, "values": [-1.3821, -1.3202, -1.3608], "mean": -1.3544, "spread": 0.0618}, "repeats_hs": {"runs": 3, "values": [-0.0402, 0.0989, 0.3045], "mean": 0.1211, "spread": 0.3447}, "at": 1788596507}, "tier": 1, "alerts": [], "total_sd": 0.789, "total_ci95": [52.367, 55.4], "relegate_reason": [], "submitted_at": 1788583628, "scored_at": 1788596507, "rank": 1553}, {"candidate_id": "ODC-CA0DD3", "res_at": 1789887549, "skeleton": "LDJJYIHRNDGVQA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.794, "axes": {"activity": 25.46, "binding": 9.95, "selectivity": 2.63, "admet": 6.79, "novelty": 5.48, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.127, "fraction": 0.849}, "binding": {"pIC50": 6.49, "LE": 0.356, "potency_term": 0.497, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.264, "target_engagement": 0.497}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.384, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 6.127478040554566, "aff_pf": -0.4924047589302063, "aff_hs": 0.036225984493891396, "repeats_pf": {"runs": 3, "values": [-0.3869, -0.5518, -0.5385], "mean": -0.4924, "spread": 0.1648}, "repeats_hs": {"runs": 3, "values": [0.1498, -0.0649, 0.0238], "mean": 0.0362, "spread": 0.2147}, "at": 1789887549}, "tier": 1, "alerts": [], "total_sd": 0.644, "total_ci95": [52.417, 54.91], "relegate_reason": [], "submitted_at": 1789658531, "scored_at": 1789887549, "rank": 1554}, {"candidate_id": "ODC-31DB75", "res_at": 1787017781, "skeleton": "NJYVHBPJKLKPGZ", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 53.793, "axes": {"activity": 17.39, "binding": 16.6, "selectivity": 7.09, "admet": 4.5, "novelty": 4.78, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.643, "fraction": 0.58}, "binding": {"pIC50": 7.49, "LE": 0.38, "potency_term": 0.83, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.427, "target_engagement": 0.83}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.809, "ld50-zhu": 0.62, "herg": 0.159, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.643237176423591, "aff_pf": -1.4902740716934204, "aff_hs": -0.6365750829378763, "repeats_pf": {"runs": 3, "values": [-1.5469, -1.4624, -1.4615], "mean": -1.4903, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [-0.6142, -0.6741, -0.6215], "mean": -0.6366, "spread": 0.0599}, "at": 1787017781}, "tier": 1, "relegate_reason": [], "submitted_at": 1787017592, "scored_at": 1787017781, "alerts": [], "rank": 1555}, {"candidate_id": "ODC-D60A83", "res_at": 1788145975, "skeleton": "OELDDUUBUQLFPK", "hf_user": "Bio-JS", "display_name": "L1 링커 NH->O (챔피언 섀시)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········nc2n1", "total": 53.778, "axes": {"activity": 23.49, "binding": 8.69, "selectivity": 7.2, "admet": 5.48, "novelty": 5.46, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.009, "fraction": 0.783}, "binding": {"pIC50": 6.3, "LE": 0.375, "potency_term": 0.435, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.3, "selectivity_term": 0.828, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.287, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.341, "herg": 0.675, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 6.009431474897575, "aff_pf": -0.30395302176475525, "aff_hs": 1.3519673347473145, "repeats_pf": {"runs": 3, "values": [-0.3066, -0.3079, -0.2973], "mean": -0.304, "spread": 0.0106}, "repeats_hs": {"runs": 3, "values": [1.4931, 1.1492, 1.4136], "mean": 1.352, "spread": 0.344}, "at": 1788145975}, "tier": 1, "alerts": [], "total_sd": 0.392, "total_ci95": [52.952, 54.398], "relegate_reason": [], "submitted_at": 1788139292, "scored_at": 1788145975, "rank": 1556}, {"candidate_id": "ODC-047D91", "res_at": 1789573348, "skeleton": "OZAPNJNQODTRBI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.773, "axes": {"activity": 21.31, "binding": 13.35, "selectivity": 7.63, "admet": 4.05, "novelty": 4.6, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.879, "fraction": 0.71}, "binding": {"pIC50": 7.0, "LE": 0.32, "potency_term": 0.668, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.333, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.762, "herg": 0.059, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.878829484377501, "aff_pf": -1.002879838148753, "aff_hs": 0.14011762539545694, "repeats_pf": {"runs": 3, "values": [-1.0446, -1.013, -0.9511], "mean": -1.0029, "spread": 0.0935}, "repeats_hs": {"runs": 3, "values": [0.1472, 0.1397, 0.1334], "mean": 0.1401, "spread": 0.0138}, "at": 1789573348}, "tier": 1, "alerts": [], "total_sd": 0.4, "total_ci95": [52.894, 54.463], "relegate_reason": [], "submitted_at": 1789571828, "scored_at": 1789573348, "rank": 1557}, {"candidate_id": "ODC-93FE7B", "res_at": 1788519647, "skeleton": "NDMNMLOCJUEGSO", "hf_user": "Bio-JS", "display_name": "0904-S1 P0/cPrCC/spiroSO", "model_name": "Bio-JS", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········2)CC1", "total": 53.769, "axes": {"activity": 18.29, "binding": 14.31, "selectivity": 10.98, "admet": 3.13, "novelty": 4.89, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.697, "fraction": 0.61}, "binding": {"pIC50": 7.31, "LE": 0.278, "potency_term": 0.771, "efficiency_cap": 0.928}, "selectivity": {"fold": 26.5, "selectivity_term": 0.712, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.408, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.05, "dili": 0.292}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "0", "pAct_q10": 5.697497619709148, "aff_pf": -1.3135474920272827, "aff_hs": 0.1096514289577802, "repeats_pf": {"runs": 3, "values": [-1.3012, -1.356, -1.2834], "mean": -1.3135, "spread": 0.0726}, "repeats_hs": {"runs": 3, "values": [0.0704, 0.25, 0.0085], "mean": 0.1097, "spread": 0.2414}, "at": 1788519647}, "tier": 1, "alerts": [], "total_sd": 0.656, "total_ci95": [52.668, 55.037], "relegate_reason": [], "submitted_at": 1788488074, "scored_at": 1788519647, "rank": 1558}, {"candidate_id": "ODC-894086", "res_at": 1787713382, "skeleton": "LLKFRMYPUXIODI", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.764, "axes": {"activity": 26.93, "binding": 9.45, "selectivity": 0.52, "admet": 8.65, "novelty": 6.94, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 6.216, "fraction": 0.898}, "binding": {"pIC50": 6.48, "LE": 0.287, "potency_term": 0.495, "efficiency_cap": 0.955}, "selectivity": {"fold": 1.3, "selectivity_term": 0.053, "target_engagement": 0.495}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.748, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.907, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 5.01}}, "run": {"gpu": "3", "pAct_q10": 6.215889452126566, "aff_pf": -0.484327773253123, "aff_hs": -0.3784502148628235, "repeats_pf": {"runs": 3, "values": [-0.4609, -0.525, -0.4671], "mean": -0.4843, "spread": 0.064}, "repeats_hs": {"runs": 3, "values": [-0.4192, -0.5083, -0.2079], "mean": -0.3785, "spread": 0.3004}, "at": 1787713382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712161, "scored_at": 1787713382, "alerts": [], "rank": 1559}, {"candidate_id": "ODC-279F59", "res_at": 1786965107, "skeleton": "OVRWAXLEIUUKPG", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.763, "axes": {"activity": 18.28, "binding": 14.01, "selectivity": 9.8, "admet": 4.87, "novelty": 3.68, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.697, "fraction": 0.609}, "binding": {"pIC50": 7.1, "LE": 0.442, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.466, "herg": 0.106, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.696886775991186, "aff_pf": -1.1020342111587524, "aff_hs": 0.29594191412130993, "repeats_pf": {"runs": 3, "values": [-1.1253, -1.1115, -1.0693], "mean": -1.102, "spread": 0.056}, "repeats_hs": {"runs": 3, "values": [0.312, 0.2306, 0.3451], "mean": 0.2959, "spread": 0.1145}, "at": 1786965107}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964391, "scored_at": 1786965107, "alerts": [], "rank": 1560}, {"candidate_id": "ODC-5E534E", "res_at": 1788525582, "skeleton": "GSXOAWHXKMTKLE", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 53.76, "axes": {"activity": 15.9, "binding": 15.45, "selectivity": 9.49, "admet": 5.89, "novelty": 3.43, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 7.32, "LE": 0.418, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.614, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.478, "herg": 0.326, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.55407578455078, "aff_pf": -1.3179299434026082, "aff_hs": -0.08907639856139819, "repeats_pf": {"runs": 3, "values": [-1.3532, -1.3169, -1.2836], "mean": -1.3179, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [-0.0538, -0.0671, -0.1463], "mean": -0.0891, "spread": 0.0926}, "at": 1788525582}, "tier": 1, "alerts": [], "total_sd": 0.466, "total_ci95": [52.967, 54.595], "relegate_reason": [], "submitted_at": 1788489501, "scored_at": 1788525582, "rank": 1561}, {"candidate_id": "ODC-6F0C92", "res_at": 1786887356, "skeleton": "CCJBVMZVIZWXIP", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 53.757, "axes": {"activity": 21.57, "binding": 14.52, "selectivity": 5.17, "admet": 5.03, "novelty": 4.36, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.894, "fraction": 0.719}, "binding": {"pIC50": 7.18, "LE": 0.41, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.356, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.72, "ld50-zhu": 0.385, "herg": 0.521, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.894182137565203, "aff_pf": -1.1775143941243489, "aff_hs": -0.4650796949863434, "repeats_pf": {"runs": 3, "values": [-1.2246, -1.1876, -1.1204], "mean": -1.1775, "spread": 0.1042}, "repeats_hs": {"runs": 3, "values": [-0.5326, -0.4724, -0.3902], "mean": -0.4651, "spread": 0.1423}, "at": 1786887356}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879602, "scored_at": 1786887356, "alerts": [], "rank": 1562}, {"candidate_id": "ODC-786F23", "res_at": 1788603608, "skeleton": "XFUZFMCNJQOIGU", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 53.746, "axes": {"activity": 16.61, "binding": 15.28, "selectivity": 10.15, "admet": 4.29, "novelty": 3.88, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.597, "fraction": 0.554}, "binding": {"pIC50": 7.29, "LE": 0.4, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.3, "selectivity_term": 0.664, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.773, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.596763530477121, "aff_pf": -1.2920328776041667, "aff_hs": 0.036740447084108986, "repeats_pf": {"runs": 3, "values": [-1.2644, -1.2967, -1.315], "mean": -1.292, "spread": 0.0505}, "repeats_hs": {"runs": 3, "values": [-0.0345, 0.0921, 0.0526], "mean": 0.0367, "spread": 0.1266}, "at": 1788603608}, "tier": 1, "alerts": [], "total_sd": 0.377, "total_ci95": [53.024, 54.473], "relegate_reason": [], "submitted_at": 1788583477, "scored_at": 1788603608, "rank": 1563}, {"candidate_id": "ODC-B257CB", "res_at": 1786969577, "skeleton": "WDJLECLQHZZWQY", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 53.74, "axes": {"activity": 17.13, "binding": 16.01, "selectivity": 7.41, "admet": 5.57, "novelty": 4.27, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.4, "LE": 0.406, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.463, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.664, "ld50-zhu": 0.552, "herg": 0.276, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.627622905781246, "aff_pf": -1.4016478856404622, "aff_hs": -0.4764709671338399, "repeats_pf": {"runs": 3, "values": [-1.4081, -1.3419, -1.455], "mean": -1.4016, "spread": 0.1131}, "repeats_hs": {"runs": 3, "values": [-0.5533, -0.3037, -0.5725], "mean": -0.4765, "spread": 0.2688}, "at": 1786969577}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968903, "scored_at": 1786969577, "alerts": [], "rank": 1564}, {"candidate_id": "ODC-EBC4BD", "res_at": 1787454426, "skeleton": "SIGDRUCHNWRHGV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.739, "axes": {"activity": 12.56, "binding": 14.92, "selectivity": 13.76, "admet": 4.74, "novelty": 5.05, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.419}, "binding": {"pIC50": 7.24, "LE": 0.413, "potency_term": 0.746, "efficiency_cap": 1.0}, "selectivity": {"fold": 69.8, "selectivity_term": 0.922, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.738, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.474, "ld50-zhu": 0.639, "herg": 0.524, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.353410708375498, "aff_pf": -1.2384469906489055, "aff_hs": 0.6056616107622782, "repeats_pf": {"runs": 3, "values": [-1.2819, -1.1785, -1.255], "mean": -1.2384, "spread": 0.1034}, "repeats_hs": {"runs": 3, "values": [0.699, 0.5303, 0.5877], "mean": 0.6057, "spread": 0.1687}, "at": 1787454426}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453337, "scored_at": 1787454426, "alerts": [], "rank": 1565}, {"candidate_id": "ODC-F741B5", "res_at": 1787525759, "skeleton": "NUCFQHGRCJAWCH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Cl", "total": 53.72, "axes": {"activity": 19.2, "binding": 14.76, "selectivity": 6.62, "admet": 5.6, "novelty": 4.55, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.752, "fraction": 0.64}, "binding": {"pIC50": 7.21, "LE": 0.38, "potency_term": 0.738, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.9, "selectivity_term": 0.448, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.549, "herg": 0.375, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.752172466006829, "aff_pf": -1.2138047615687053, "aff_hs": -0.3171236316363017, "repeats_pf": {"runs": 3, "values": [-1.2904, -1.2288, -1.1222], "mean": -1.2138, "spread": 0.1682}, "repeats_hs": {"runs": 3, "values": [-0.3014, -0.3578, -0.2921], "mean": -0.3171, "spread": 0.0657}, "at": 1787525759}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520666, "scored_at": 1787525759, "alerts": [], "rank": 1566}, {"candidate_id": "ODC-9358A8", "res_at": 1786876789, "skeleton": "QAZAWHOCRGCPJX", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 53.714, "axes": {"activity": 12.07, "binding": 15.29, "selectivity": 13.85, "admet": 5.8, "novelty": 3.34, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.324, "fraction": 0.402}, "binding": {"pIC50": 7.29, "LE": 0.434, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.7, "selectivity_term": 0.906, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.638, "ld50-zhu": 0.548, "herg": 0.539, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.32433792693817, "aff_pf": -1.2941721280415852, "aff_hs": 0.5170106689135233, "repeats_pf": {"runs": 3, "values": [-1.2683, -1.3061, -1.3081], "mean": -1.2942, "spread": 0.0398}, "repeats_hs": {"runs": 3, "values": [0.5619, 0.528, 0.4611], "mean": 0.517, "spread": 0.1008}, "at": 1786876789}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867661, "scored_at": 1786876789, "alerts": [], "rank": 1567}, {"candidate_id": "ODC-D4996B", "res_at": 1788493327, "skeleton": "HPKPEBXONQNQQL", "hf_user": "Ku-ku", "display_name": "KK-M-0903-782", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=S(c1n··········C(F)F", "total": 53.709, "axes": {"activity": 10.32, "binding": 17.53, "selectivity": 12.39, "admet": 4.86, "novelty": 6.73, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 7.63, "LE": 0.373, "potency_term": 0.876, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.9, "selectivity_term": 0.707, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 4.49}}, "run": {"gpu": "0", "pAct_q10": 5.2191657604127, "aff_pf": -1.629204511642456, "aff_hs": -0.21566238502661386, "repeats_pf": {"runs": 3, "values": [-1.6111, -1.646, -1.6305], "mean": -1.6292, "spread": 0.0348}, "repeats_hs": {"runs": 3, "values": [-0.1164, 0.0912, -0.6217], "mean": -0.2157, "spread": 0.7129}, "at": 1788493327}, "tier": 1, "alerts": [], "total_sd": 1.582, "total_ci95": [50.15, 56.398], "relegate_reason": [], "submitted_at": 1788430804, "scored_at": 1788493327, "rank": 1568}, {"candidate_id": "ODC-A4C461", "res_at": 1787654603, "skeleton": "XDIMPETYDJEWGF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.707, "axes": {"activity": 27.98, "binding": 8.81, "selectivity": 0.43, "admet": 7.64, "novelty": 7.18, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 6.279, "fraction": 0.933}, "binding": {"pIC50": 6.4, "LE": 0.283, "potency_term": 0.467, "efficiency_cap": 0.943}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.5, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.768, "cyp2c9-veith": 0.976, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.23, "novelty": 0.77}, "synthesis": {"sa_score": 4.75}}, "run": {"gpu": "3", "pAct_q10": 6.278815798480383, "aff_pf": -0.4018321633338928, "aff_hs": -0.3101791540781657, "repeats_pf": {"runs": 3, "values": [-0.414, -0.4049, -0.3866], "mean": -0.4018, "spread": 0.0273}, "repeats_hs": {"runs": 3, "values": [-0.2626, -0.3762, -0.2918], "mean": -0.3102, "spread": 0.1136}, "at": 1787654603}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648109, "scored_at": 1787654603, "alerts": [], "rank": 1569}, {"candidate_id": "ODC-F722D9", "res_at": 1788915828, "skeleton": "OQMGLTALPDIVBX", "hf_user": "Bio-JS", "display_name": "0909-S1-18", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.68, "axes": {"activity": 19.94, "binding": 12.15, "selectivity": 10.15, "admet": 4.86, "novelty": 3.78, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.797, "fraction": 0.665}, "binding": {"pIC50": 6.82, "LE": 0.389, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.9, "selectivity_term": 0.835, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.48, "ld50-zhu": 0.451, "herg": 0.842, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.796543792695797, "aff_pf": -0.8230945070584615, "aff_hs": 0.8478127717971802, "repeats_pf": {"runs": 3, "values": [-0.8084, -0.8931, -0.7678], "mean": -0.8231, "spread": 0.1253}, "repeats_hs": {"runs": 3, "values": [0.8786, 0.8825, 0.7823], "mean": 0.8478, "spread": 0.1001}, "at": 1788915828}, "tier": 1, "alerts": [], "total_sd": 0.548, "total_ci95": [52.723, 54.97], "relegate_reason": [], "submitted_at": 1788902994, "scored_at": 1788915828, "rank": 1570}, {"candidate_id": "ODC-4958CB", "res_at": 1787871650, "skeleton": "KPLYWCXZFISKOL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)(F)F", "total": 53.676, "axes": {"activity": 21.59, "binding": 13.16, "selectivity": 7.72, "admet": 4.32, "novelty": 3.88, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.896, "fraction": 0.72}, "binding": {"pIC50": 6.97, "LE": 0.354, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.586, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.532, "herg": 0.226, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.895650045871095, "aff_pf": -0.9742465217908224, "aff_hs": 0.19852482279141745, "repeats_pf": {"runs": 3, "values": [-1.049, -0.903, -0.9707], "mean": -0.9742, "spread": 0.146}, "repeats_hs": {"runs": 3, "values": [0.185, 0.1978, 0.2128], "mean": 0.1985, "spread": 0.0278}, "at": 1787858674}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806794, "scored_at": 1787858674, "alerts": [], "rank": 1571}, {"candidate_id": "ODC-84EF70", "res_at": 1787709207, "skeleton": "FZZRXXNGHRCBQE", "hf_user": "Moonweave", "display_name": "M5AI-FPOS-CAND-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········2)c1F", "total": 53.654, "axes": {"activity": 14.47, "binding": 16.41, "selectivity": 11.55, "admet": 3.19, "novelty": 4.21, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.468, "fraction": 0.482}, "binding": {"pIC50": 7.46, "LE": 0.352, "potency_term": 0.82, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.82}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.227}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.468131775615395, "aff_pf": -1.460955301920573, "aff_hs": -0.05341006318728129, "repeats_pf": {"runs": 3, "values": [-1.5048, -1.3769, -1.5011], "mean": -1.461, "spread": 0.1279}, "repeats_hs": {"runs": 3, "values": [-0.0348, -0.0315, -0.094], "mean": -0.0534, "spread": 0.0625}, "at": 1787709207}, "tier": 1, "relegate_reason": [], "submitted_at": 1787706651, "scored_at": 1787709207, "alerts": [], "rank": 1572}, {"candidate_id": "ODC-340AFE", "res_at": 1786902260, "skeleton": "GXWBZZFSDSLUDM", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(F··········)n2n1", "total": 53.593, "axes": {"activity": 15.1, "binding": 15.18, "selectivity": 11.06, "admet": 5.12, "novelty": 3.8, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.503}, "binding": {"pIC50": 7.28, "LE": 0.433, "potency_term": 0.759, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.7, "selectivity_term": 0.729, "target_engagement": 0.759}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.979, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.409, "ld50-zhu": 0.461, "herg": 0.661, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.506088875110615, "aff_pf": -1.277154763539632, "aff_hs": 0.18014166255791983, "repeats_pf": {"runs": 3, "values": [-1.3383, -1.2765, -1.2167], "mean": -1.2772, "spread": 0.1216}, "repeats_hs": {"runs": 3, "values": [0.1585, 0.1837, 0.1981], "mean": 0.1801, "spread": 0.0396}, "at": 1786902260}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890250, "scored_at": 1786902260, "alerts": [], "rank": 1573}, {"candidate_id": "ODC-AFDF43", "res_at": 1786959124, "skeleton": "DLYMKRDDGZKASA", "hf_user": "amadeus0710", "display_name": "tomato", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 53.587, "axes": {"activity": 11.86, "binding": 17.24, "selectivity": 11.43, "admet": 4.91, "novelty": 4.51, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.395}, "binding": {"pIC50": 7.59, "LE": 0.416, "potency_term": 0.862, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.2, "selectivity_term": 0.663, "target_engagement": 0.862}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.311668187232188, "aff_pf": -1.5857077439626057, "aff_hs": -0.25992390513420105, "repeats_pf": {"runs": 3, "values": [-1.5863, -1.6232, -1.5475], "mean": -1.5857, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [-0.2491, -0.177, -0.3536], "mean": -0.2599, "spread": 0.1766}, "at": 1786959124}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958915, "scored_at": 1786959124, "alerts": [], "rank": 1574}, {"candidate_id": "ODC-8D60C2", "res_at": 1787014083, "skeleton": "VAXAGQYOENCSOJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 53.583, "axes": {"activity": 23.23, "binding": 11.33, "selectivity": 4.97, "admet": 5.54, "novelty": 5.26, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.994, "fraction": 0.774}, "binding": {"pIC50": 6.72, "LE": 0.297, "potency_term": 0.572, "efficiency_cap": 0.989}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.887, "ld50-zhu": 0.502, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.9937791521723085, "aff_pf": -0.7168508370717367, "aff_hs": 0.15143107374509177, "repeats_pf": {"runs": 3, "values": [-0.6544, -0.7118, -0.7843], "mean": -0.7169, "spread": 0.13}, "repeats_hs": {"runs": 3, "values": [0.2284, 0.1792, 0.0466], "mean": 0.1514, "spread": 0.1818}, "at": 1787014083}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013580, "scored_at": 1787014083, "alerts": [], "rank": 1575}, {"candidate_id": "ODC-D7324A", "res_at": 1789943290, "skeleton": "YAASEHHOGKAOFF", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.579, "axes": {"activity": 15.19, "binding": 15.02, "selectivity": 9.6, "admet": 6.29, "novelty": 4.06, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.511, "fraction": 0.506}, "binding": {"pIC50": 7.25, "LE": 0.397, "potency_term": 0.751, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.639, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.519, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.535, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.516, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.511319779991183, "aff_pf": -1.2531575361887615, "aff_hs": 0.025133262077967327, "repeats_pf": {"runs": 3, "values": [-1.1848, -1.2845, -1.2901], "mean": -1.2532, "spread": 0.1053}, "repeats_hs": {"runs": 3, "values": [-0.0533, 0.1527, -0.0239], "mean": 0.0251, "spread": 0.206}, "at": 1789943290}, "tier": 1, "alerts": [], "total_sd": 0.786, "total_ci95": [51.988, 54.94], "relegate_reason": [], "submitted_at": 1789828719, "scored_at": 1789943290, "rank": 1576}, {"candidate_id": "ODC-C1596E", "res_at": 1787267035, "skeleton": "SDVZUZMSAATGNJ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "300-350", "visibility": "public", "smiles": "CSc1nc2nc(C)c(F)c(Nc3ccc(Cl)c(F)c3)n2n1", "smiles_masked": null, "total": 53.578, "axes": {"activity": 9.76, "binding": 16.8, "selectivity": 12.34, "admet": 6.36, "novelty": 4.42, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.325}, "binding": {"pIC50": 7.52, "LE": 0.468, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.5, "selectivity_term": 0.735, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.393, "ld50-zhu": 0.261, "herg": 0.984, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.185741600549203, "aff_pf": -1.520593523979187, "aff_hs": -0.05149251967668533, "repeats_pf": {"runs": 3, "values": [-1.52, -1.5128, -1.529], "mean": -1.5206, "spread": 0.0162}, "repeats_hs": {"runs": 3, "values": [0.0172, -0.1188, -0.0529], "mean": -0.0515, "spread": 0.1361}, "at": 1787267035}, "tier": 1, "relegate_reason": [], "submitted_at": 1787266251, "scored_at": 1787267035, "alerts": [], "rank": 1577}, {"candidate_id": "ODC-8CD9E7", "res_at": 1787441255, "skeleton": "MUTNCCPDGQEJLI", "hf_user": "Ku-ku", "display_name": "Q7_vinyl_morph", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 53.571, "axes": {"activity": 27.94, "binding": 6.02, "selectivity": 2.79, "admet": 6.52, "novelty": 6.43, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.277, "fraction": 0.931}, "binding": {"pIC50": 6.05, "LE": 0.259, "potency_term": 0.349, "efficiency_cap": 0.863}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.349}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.505, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.722, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 6.276565599348675, "aff_pf": -0.04721425970395406, "aff_hs": 0.7513994375864664, "repeats_pf": {"runs": 3, "values": [0.0194, -0.0675, -0.0935], "mean": -0.0472, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [0.7763, 0.6812, 0.7967], "mean": 0.7514, "spread": 0.1155}, "at": 1787441255}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438812, "scored_at": 1787441255, "alerts": [], "rank": 1578}, {"candidate_id": "ODC-F430E1", "res_at": 1786862734, "skeleton": "KPWQNDWVMLIAFN", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 53.567, "axes": {"activity": 15.03, "binding": 16.31, "selectivity": 10.28, "admet": 5.23, "novelty": 3.5, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 7.45, "LE": 0.425, "potency_term": 0.816, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.2, "selectivity_term": 0.63, "target_engagement": 0.816}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.242, "ld50-zhu": 0.299, "herg": 0.555, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.571, "novelty": 0.429}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.501659713422714, "aff_pf": -1.4471140305201213, "aff_hs": -0.18708333869775137, "repeats_pf": {"runs": 3, "values": [-1.4724, -1.417, -1.4519], "mean": -1.4471, "spread": 0.0555}, "repeats_hs": {"runs": 3, "values": [-0.1444, -0.2093, -0.2075], "mean": -0.1871, "spread": 0.0649}, "at": 1786862734}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855396, "scored_at": 1786862734, "alerts": [], "rank": 1579}, {"candidate_id": "ODC-1AFA14", "res_at": 1787707680, "skeleton": "BOAXZRZLFONAIN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.562, "axes": {"activity": 28.94, "binding": 7.22, "selectivity": 0.0, "admet": 8.53, "novelty": 7.23, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 6.336, "fraction": 0.965}, "binding": {"pIC50": 6.25, "LE": 0.26, "potency_term": 0.417, "efficiency_cap": 0.865}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.417}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.594, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.179, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 4.81}}, "run": {"gpu": "3", "pAct_q10": 6.336290441107062, "aff_pf": -0.2518749237060547, "aff_hs": -0.5208165148893992, "repeats_pf": {"runs": 3, "values": [-0.2238, -0.2441, -0.2877], "mean": -0.2519, "spread": 0.0638}, "repeats_hs": {"runs": 3, "values": [-0.3934, -0.4677, -0.7014], "mean": -0.5208, "spread": 0.3079}, "at": 1787707680}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705733, "scored_at": 1787707680, "alerts": [], "rank": 1580}, {"candidate_id": "ODC-318DBF", "res_at": 1790022966, "skeleton": "QEYQREAOTVMIBN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Br", "total": 53.551, "axes": {"activity": 12.17, "binding": 18.05, "selectivity": 9.22, "admet": 5.41, "novelty": 5.24, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 7.71, "LE": 0.44, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.108, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.525, "ld50-zhu": 0.536, "herg": 0.684, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.330183343068622, "aff_pf": -1.7070285479227703, "aff_hs": -0.6856308182080587, "repeats_pf": {"runs": 3, "values": [-1.7076, -1.7386, -1.6749], "mean": -1.707, "spread": 0.0637}, "repeats_hs": {"runs": 3, "values": [-0.6863, -0.6587, -0.7119], "mean": -0.6856, "spread": 0.0532}, "at": 1790022966}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [52.85, 54.322], "relegate_reason": [], "submitted_at": 1790008978, "scored_at": 1790022966, "rank": 1581}, {"candidate_id": "ODC-E414EC", "res_at": 1787444885, "skeleton": "OGRLTTBQZWFQCD", "hf_user": "Ku-ku", "display_name": "KK-M-0823-04", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.549, "axes": {"activity": 13.98, "binding": 16.97, "selectivity": 10.35, "admet": 5.17, "novelty": 2.89, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 7.55, "LE": 0.47, "potency_term": 0.849, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.849}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 0.09, "ld50-zhu": 0.311, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.438594669796813, "aff_pf": -1.5459361871083577, "aff_hs": -0.3265414635340373, "repeats_pf": {"runs": 3, "values": [-1.5303, -1.5523, -1.5552], "mean": -1.5459, "spread": 0.0249}, "repeats_hs": {"runs": 3, "values": [-0.2598, -0.4655, -0.2543], "mean": -0.3265, "spread": 0.2112}, "at": 1787444885}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443755, "scored_at": 1787444885, "alerts": [], "rank": 1582}, {"candidate_id": "ODC-C442E4", "res_at": 1789948250, "skeleton": "UGCUWMPISLVEON", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.548, "axes": {"activity": 20.11, "binding": 11.95, "selectivity": 11.83, "admet": 2.36, "novelty": 4.3, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.807, "fraction": 0.67}, "binding": {"pIC50": 6.97, "LE": 0.273, "potency_term": 0.657, "efficiency_cap": 0.909}, "selectivity": {"fold": 63.2, "selectivity_term": 0.9, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.806622980940772, "aff_pf": -0.970252533753713, "aff_hs": 0.8305860559145609, "repeats_pf": {"runs": 3, "values": [-0.9876, -0.9079, -1.0152], "mean": -0.9703, "spread": 0.1073}, "repeats_hs": {"runs": 3, "values": [0.8196, 1.0198, 0.6524], "mean": 0.8306, "spread": 0.3674}, "at": 1789948250}, "tier": 1, "alerts": [], "total_sd": 0.795, "total_ci95": [52.036, 55.1], "relegate_reason": [], "submitted_at": 1789837456, "scored_at": 1789948250, "rank": 1583}, {"candidate_id": "ODC-3745FF", "res_at": 1788222880, "skeleton": "UUANFHDSTZJOSE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 53.543, "axes": {"activity": 19.62, "binding": 14.0, "selectivity": 7.5, "admet": 6.21, "novelty": 3.33, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.777, "fraction": 0.654}, "binding": {"pIC50": 7.1, "LE": 0.389, "potency_term": 0.7, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.536, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.779, "cyp3a4-substrate-carbonmangels": 0.782, "ld50-zhu": 0.614, "herg": 0.624, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.777351697128324, "aff_pf": -1.0997063318888347, "aff_hs": -0.028434549768765766, "repeats_pf": {"runs": 3, "values": [-1.0685, -1.0561, -1.1746], "mean": -1.0997, "spread": 0.1185}, "repeats_hs": {"runs": 3, "values": [0.0379, -0.0214, -0.1018], "mean": -0.0284, "spread": 0.1397}, "at": 1788222880}, "tier": 1, "alerts": [], "total_sd": 0.773, "total_ci95": [52.408, 55.296], "relegate_reason": [], "submitted_at": 1788165350, "scored_at": 1788222880, "rank": 1584}, {"candidate_id": "ODC-DF866F", "res_at": 1787521660, "skeleton": "HCXIOEGIBGNGLN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.536, "axes": {"activity": 18.51, "binding": 14.16, "selectivity": 9.46, "admet": 4.8, "novelty": 3.54, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.711, "fraction": 0.617}, "binding": {"pIC50": 7.12, "LE": 0.407, "potency_term": 0.708, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.7, "selectivity_term": 0.668, "target_engagement": 0.708}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 0.387, "ld50-zhu": 0.406, "herg": 0.389, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.710769845664092, "aff_pf": -1.1244252920150757, "aff_hs": 0.21181764205296835, "repeats_pf": {"runs": 3, "values": [-1.1241, -1.0862, -1.1629], "mean": -1.1244, "spread": 0.0768}, "repeats_hs": {"runs": 3, "values": [-0.1812, 0.5724, 0.2442], "mean": 0.2118, "spread": 0.7536}, "at": 1787521660}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520509, "scored_at": 1787521660, "alerts": [], "rank": 1585}, {"candidate_id": "ODC-691010", "res_at": 1789527221, "skeleton": "BOGWAMQVBRIFSJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 53.535, "axes": {"activity": 9.31, "binding": 17.92, "selectivity": 12.66, "admet": 5.26, "novelty": 4.25, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.159, "fraction": 0.31}, "binding": {"pIC50": 7.69, "LE": 0.439, "potency_term": 0.896, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.9, "selectivity_term": 0.707, "target_engagement": 0.896}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.777, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.158859967126292, "aff_pf": -1.6880605220794678, "aff_hs": -0.27478083471457165, "repeats_pf": {"runs": 3, "values": [-1.6785, -1.6268, -1.7589], "mean": -1.6881, "spread": 0.1321}, "repeats_hs": {"runs": 3, "values": [-0.3685, -0.1707, -0.2852], "mean": -0.2748, "spread": 0.1978}, "at": 1789527221}, "tier": 1, "alerts": [], "total_sd": 0.872, "total_ci95": [51.841, 55.26], "relegate_reason": [], "submitted_at": 1789524651, "scored_at": 1789527221, "rank": 1586}, {"candidate_id": "ODC-4128ED", "res_at": 1787048101, "skeleton": "AOQAJCYQFHSGQN", "hf_user": "ghost613", "display_name": "MAL-G3-01 CF2Et/5-Cl/3-Me-4-CF3", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 53.521, "axes": {"activity": 12.59, "binding": 18.05, "selectivity": 9.78, "admet": 5.39, "novelty": 3.8, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 7.71, "LE": 0.406, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.369, "herg": 0.175, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.355648771342873, "aff_pf": -1.7072020371754963, "aff_hs": -0.6236010988553365, "repeats_pf": {"runs": 3, "values": [-1.7164, -1.7599, -1.6453], "mean": -1.7072, "spread": 0.1147}, "repeats_hs": {"runs": 3, "values": [-0.6279, -0.6209, -0.622], "mean": -0.6236, "spread": 0.0069}, "at": 1787048101}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043627, "scored_at": 1787048101, "alerts": [], "rank": 1587}, {"candidate_id": "ODC-041D0C", "res_at": 1787653452, "skeleton": "BCDWEWYENZPPAO", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOCC(=··········F)CC1", "total": 53.504, "axes": {"activity": 27.64, "binding": 7.95, "selectivity": 0.96, "admet": 8.15, "novelty": 7.1, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 6.259, "fraction": 0.921}, "binding": {"pIC50": 6.25, "LE": 0.286, "potency_term": 0.418, "efficiency_cap": 0.952}, "selectivity": {"fold": 1.7, "selectivity_term": 0.115, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.503, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 0.887, "pgp-broccatelli": 0.754, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.775, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.23, "novelty": 0.77}, "synthesis": {"sa_score": 4.71}}, "run": {"gpu": "3", "pAct_q10": 6.25864408970377, "aff_pf": -0.25330984095732373, "aff_hs": -0.024294542769591015, "repeats_pf": {"runs": 3, "values": [-0.3344, -0.3223, -0.1033], "mean": -0.2533, "spread": 0.2311}, "repeats_hs": {"runs": 3, "values": [-0.0085, -0.0321, -0.0323], "mean": -0.0243, "spread": 0.0238}, "at": 1787653452}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648028, "scored_at": 1787653452, "alerts": [], "rank": 1588}, {"candidate_id": "ODC-55A58A", "res_at": 1787711438, "skeleton": "DDSIKPSPNLXIBN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.492, "axes": {"activity": 28.42, "binding": 9.18, "selectivity": 0.0, "admet": 7.58, "novelty": 7.39, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 6.305, "fraction": 0.947}, "binding": {"pIC50": 6.45, "LE": 0.285, "potency_term": 0.483, "efficiency_cap": 0.95}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.483}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 0.876, "pgp-broccatelli": 0.493, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.766, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.22, "novelty": 0.78}, "synthesis": {"sa_score": 5.32}}, "run": {"gpu": "3", "pAct_q10": 6.305095747313668, "aff_pf": -0.4495529035727183, "aff_hs": -0.649989664554596, "repeats_pf": {"runs": 3, "values": [-0.4321, -0.3094, -0.6071], "mean": -0.4496, "spread": 0.2977}, "repeats_hs": {"runs": 3, "values": [-0.7082, -0.7105, -0.5313], "mean": -0.65, "spread": 0.1792}, "at": 1787711438}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709673, "scored_at": 1787711438, "alerts": [], "rank": 1589}, {"candidate_id": "ODC-8E7BB6", "res_at": 1788133290, "skeleton": "DJCARUWUDZFUDD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 53.48, "axes": {"activity": 16.12, "binding": 14.82, "selectivity": 9.23, "admet": 5.48, "novelty": 4.7, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 7.22, "LE": 0.381, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.623, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.915, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.545, "herg": 0.312, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.567209120681602, "aff_pf": -1.223702351252238, "aff_hs": 0.021298225969076157, "repeats_pf": {"runs": 3, "values": [-1.291, -1.2521, -1.128], "mean": -1.2237, "spread": 0.163}, "repeats_hs": {"runs": 3, "values": [-0.0203, 0.0366, 0.0476], "mean": 0.0213, "spread": 0.0679}, "at": 1788133290}, "tier": 1, "alerts": [], "total_sd": 0.948, "total_ci95": [51.328, 55.124], "relegate_reason": [], "submitted_at": 1788132447, "scored_at": 1788133290, "rank": 1590}, {"candidate_id": "ODC-F1D499", "res_at": 1788913810, "skeleton": "JKQZGYCMFIJQNB", "hf_user": "Bio-JS", "display_name": "0909-S1-16", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 53.47, "axes": {"activity": 13.98, "binding": 15.43, "selectivity": 12.06, "admet": 5.53, "novelty": 3.17, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 7.32, "LE": 0.371, "potency_term": 0.772, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.5, "selectivity_term": 0.781, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.276, "cyp3a4-substrate-carbonmangels": 0.417, "ld50-zhu": 0.697, "herg": 0.412, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.438572530269196, "aff_pf": -1.3151719570159912, "aff_hs": 0.24697259813547134, "repeats_pf": {"runs": 3, "values": [-1.3205, -1.3273, -1.2977], "mean": -1.3152, "spread": 0.0296}, "repeats_hs": {"runs": 3, "values": [0.3383, 0.02, 0.3826], "mean": 0.247, "spread": 0.3626}, "at": 1788913810}, "tier": 1, "alerts": [], "total_sd": 0.77, "total_ci95": [51.901, 54.651], "relegate_reason": [], "submitted_at": 1788902962, "scored_at": 1788913810, "rank": 1591}, {"candidate_id": "ODC-417705", "res_at": 1787411485, "skeleton": "WIZMQDUOOOAWKH", "hf_user": "takutoyo", "display_name": "PfD14-02", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 53.462, "axes": {"activity": 13.84, "binding": 16.92, "selectivity": 5.58, "admet": 8.8, "novelty": 5.64, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.461}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.693, "per_endpoint": {"solubility-aqsoldb": 0.761, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.775, "cyp3a4-substrate-carbonmangels": 0.74, "ld50-zhu": 0.541, "herg": 1.0, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "3", "pAct_q10": 5.430573239989067, "aff_pf": -1.5383318662643433, "aff_hs": -0.8791281779607137, "repeats_pf": {"runs": 3, "values": [-1.5703, -1.5085, -1.5362], "mean": -1.5383, "spread": 0.0619}, "repeats_hs": {"runs": 3, "values": [-0.8441, -0.9283, -0.865], "mean": -0.8791, "spread": 0.0842}, "at": 1787411485}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787407913, "scored_at": 1787411485, "rank": 1592}, {"candidate_id": "ODC-95D944", "res_at": 1787736515, "skeleton": "NOOIPDCPZPLTKU", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········)cc1C", "total": 53.432, "axes": {"activity": 20.95, "binding": 14.9, "selectivity": 5.35, "admet": 5.02, "novelty": 4.1, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 7.24, "LE": 0.413, "potency_term": 0.745, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.359, "target_engagement": 0.745}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.545, "herg": 0.6, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.856864399575508, "aff_pf": -1.2352996269861858, "aff_hs": -0.5175584355990092, "repeats_pf": {"runs": 3, "values": [-1.3504, -1.1721, -1.1834], "mean": -1.2353, "spread": 0.1784}, "repeats_hs": {"runs": 3, "values": [-0.4017, -0.8693, -0.2816], "mean": -0.5176, "spread": 0.5877}, "at": 1787736515}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736049, "scored_at": 1787736515, "alerts": [], "rank": 1593}, {"candidate_id": "ODC-E88EA6", "res_at": 1789040822, "skeleton": "DZHXOPDKQQUSPO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 53.426, "axes": {"activity": 12.59, "binding": 17.62, "selectivity": 10.48, "admet": 5.79, "novelty": 2.99, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 7.64, "LE": 0.436, "potency_term": 0.881, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.881}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.379, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.118, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.355603681562841, "aff_pf": -1.642585277557373, "aff_hs": -0.45293081800142926, "repeats_pf": {"runs": 3, "values": [-1.5982, -1.6971, -1.6325], "mean": -1.6426, "spread": 0.0989}, "repeats_hs": {"runs": 3, "values": [-0.3224, -0.5205, -0.5159], "mean": -0.4529, "spread": 0.1981}, "at": 1789040822}, "tier": 1, "alerts": [], "total_sd": 0.662, "total_ci95": [52.342, 54.819], "relegate_reason": [], "submitted_at": 1789040056, "scored_at": 1789040822, "rank": 1594}, {"candidate_id": "ODC-3A19E7", "res_at": 1787402090, "skeleton": "MRGSQWJEYXFBEQ", "hf_user": "Ku-ku", "display_name": "W8_anilineTo2py", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.413, "axes": {"activity": 21.58, "binding": 13.03, "selectivity": 5.39, "admet": 6.24, "novelty": 4.08, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.895, "fraction": 0.719}, "binding": {"pIC50": 6.95, "LE": 0.433, "potency_term": 0.651, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.79, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.41, "herg": 0.841, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.894870236359347, "aff_pf": -0.9539268215497335, "aff_hs": -0.12590357661247253, "repeats_pf": {"runs": 3, "values": [-0.9256, -0.9596, -0.9766], "mean": -0.9539, "spread": 0.051}, "repeats_hs": {"runs": 3, "values": [-0.297, 0.2106, -0.2913], "mean": -0.1259, "spread": 0.5076}, "at": 1787402090}, "tier": 1, "relegate_reason": [], "submitted_at": 1787400917, "scored_at": 1787402090, "alerts": [], "rank": 1595}, {"candidate_id": "ODC-5CE45F", "res_at": 1789440726, "skeleton": "IJLXGWPFUFOGIS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 53.402, "axes": {"activity": 9.2, "binding": 17.04, "selectivity": 13.51, "admet": 4.88, "novelty": 5.39, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.152, "fraction": 0.307}, "binding": {"pIC50": 7.56, "LE": 0.383, "potency_term": 0.852, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.5, "selectivity_term": 0.793, "target_engagement": 0.852}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.348, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.6, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.151746872902137, "aff_pf": -1.5567005475362141, "aff_hs": 0.02903858820597331, "repeats_pf": {"runs": 3, "values": [-1.4518, -1.5591, -1.6592], "mean": -1.5567, "spread": 0.2074}, "repeats_hs": {"runs": 3, "values": [-0.1621, -0.0565, 0.3057], "mean": 0.029, "spread": 0.4678}, "at": 1789440726}, "tier": 1, "alerts": [], "total_sd": 1.6, "total_ci95": [50.34, 56.567], "relegate_reason": [], "submitted_at": 1789435927, "scored_at": 1789440726, "rank": 1596}, {"candidate_id": "ODC-E36118", "res_at": 1787133030, "skeleton": "ZYTCRKLKFPTFET", "hf_user": "rowett", "display_name": "CSH, CMC, rowett", "model_name": "anthropic/claude-opus-5, Gemini 3.7 flash", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 53.382, "axes": {"activity": 15.0, "binding": 17.89, "selectivity": 7.63, "admet": 5.02, "novelty": 4.09, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 7.68, "LE": 0.405, "potency_term": 0.895, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.426, "target_engagement": 0.895}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.226, "cyp3a4-substrate-carbonmangels": 0.503, "ld50-zhu": 0.395, "herg": 0.111, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.499919328408149, "aff_pf": -1.6840545733769734, "aff_hs": -0.8314022620519003, "repeats_pf": {"runs": 3, "values": [-1.7229, -1.716, -1.6132], "mean": -1.6841, "spread": 0.1097}, "repeats_hs": {"runs": 3, "values": [-0.8558, -0.8228, -0.8156], "mean": -0.8314, "spread": 0.0402}, "at": 1787133030}, "tier": 1, "relegate_reason": [], "submitted_at": 1787126186, "scored_at": 1787133030, "alerts": [], "rank": 1597}, {"candidate_id": "ODC-2F3169", "res_at": 1788062928, "skeleton": "ZZUZSHBSKJLKFD", "hf_user": "Bio-JS", "display_name": "07 A2 2-F/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 53.376, "axes": {"activity": 19.47, "binding": 14.71, "selectivity": 7.85, "admet": 3.42, "novelty": 5.16, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.768, "fraction": 0.649}, "binding": {"pIC50": 7.41, "LE": 0.274, "potency_term": 0.804, "efficiency_cap": 0.915}, "selectivity": {"fold": 9.5, "selectivity_term": 0.488, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.729, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 5.767969079854342, "aff_pf": -1.412206768989563, "aff_hs": -0.4361714820067088, "repeats_pf": {"runs": 3, "values": [-1.3016, -1.418, -1.517], "mean": -1.4122, "spread": 0.2154}, "repeats_hs": {"runs": 3, "values": [-0.4247, -0.512, -0.3718], "mean": -0.4362, "spread": 0.1402}, "at": 1788062928}, "tier": 1, "alerts": [], "total_sd": 1.287, "total_ci95": [50.97, 55.869], "relegate_reason": [], "submitted_at": 1788017330, "scored_at": 1788062928, "rank": 1598}, {"candidate_id": "ODC-60B204", "res_at": 1787710587, "skeleton": "DVEHSHAZMYLVPM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.375, "axes": {"activity": 28.31, "binding": 7.58, "selectivity": 0.0, "admet": 8.39, "novelty": 7.25, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 6.299, "fraction": 0.944}, "binding": {"pIC50": 6.2, "LE": 0.283, "potency_term": 0.401, "efficiency_cap": 0.944}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 0.902, "pgp-broccatelli": 0.526, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.185, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 4.63}}, "run": {"gpu": "3", "pAct_q10": 6.298544306206923, "aff_pf": -0.20363265772660574, "aff_hs": -0.5836474597454071, "repeats_pf": {"runs": 3, "values": [-0.214, -0.1527, -0.2442], "mean": -0.2036, "spread": 0.0915}, "repeats_hs": {"runs": 3, "values": [-0.718, -0.6604, -0.3726], "mean": -0.5836, "spread": 0.3454}, "at": 1787710587}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709624, "scored_at": 1787710587, "alerts": [], "rank": 1599}, {"candidate_id": "ODC-8203DA", "res_at": 1786944719, "skeleton": "MPMVVKMLEZLSTI", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCSc1n··········)n2n1", "total": 53.347, "axes": {"activity": 12.73, "binding": 15.25, "selectivity": 14.35, "admet": 3.53, "novelty": 4.22, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.424}, "binding": {"pIC50": 7.29, "LE": 0.384, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 76.3, "selectivity_term": 0.941, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.439, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.364026360908306, "aff_pf": -1.2875196933746338, "aff_hs": 0.5948995451132456, "repeats_pf": {"runs": 3, "values": [-1.2868, -1.3754, -1.2003], "mean": -1.2875, "spread": 0.1751}, "repeats_hs": {"runs": 3, "values": [0.6522, 0.672, 0.4605], "mean": 0.5949, "spread": 0.2115}, "at": 1786944719}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934273, "scored_at": 1786944719, "alerts": [], "rank": 1600}, {"candidate_id": "ODC-F7BC8B", "res_at": 1789174874, "skeleton": "NJHKYFTWQTWUMC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.337, "axes": {"activity": 16.08, "binding": 17.46, "selectivity": 8.04, "admet": 4.83, "novelty": 3.07, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 7.62, "LE": 0.435, "potency_term": 0.873, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.461, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.551, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.751, "herg": 0.145, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.5646823085200925, "aff_pf": -1.6185637315114338, "aff_hs": -0.697230339050293, "repeats_pf": {"runs": 3, "values": [-1.6474, -1.6425, -1.5658], "mean": -1.6186, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [-0.767, -0.635, -0.6896], "mean": -0.6972, "spread": 0.132}, "at": 1789174874}, "tier": 1, "alerts": [], "total_sd": 0.572, "total_ci95": [51.915, 54.23], "relegate_reason": [], "submitted_at": 1789173833, "scored_at": 1789174874, "rank": 1601}, {"candidate_id": "ODC-B99B7D", "res_at": 1788495391, "skeleton": "OBJLYQQQROQHOW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.326, "axes": {"activity": 10.2, "binding": 16.34, "selectivity": 14.45, "admet": 5.68, "novelty": 3.01, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.212, "fraction": 0.34}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.817, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.8, "selectivity_term": 0.885, "target_engagement": 0.817}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.524, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.424, "herg": 0.286, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.211869845449838, "aff_pf": -1.4507004419962566, "aff_hs": 0.3183239499727885, "repeats_pf": {"runs": 3, "values": [-1.4435, -1.4449, -1.4637], "mean": -1.4507, "spread": 0.0203}, "repeats_hs": {"runs": 3, "values": [0.2881, 0.3513, 0.3156], "mean": 0.3183, "spread": 0.0632}, "at": 1788495391}, "tier": 1, "alerts": [], "total_sd": 0.177, "total_ci95": [53.005, 53.757], "relegate_reason": [], "submitted_at": 1788433901, "scored_at": 1788495391, "rank": 1602}, {"candidate_id": "ODC-9DF91C", "res_at": 1788426034, "skeleton": "CMJACLUYYHEWET", "hf_user": "Bio-JS", "display_name": "0903-S1-04 oF_mF/oxetane/tmSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 53.317, "axes": {"activity": 20.52, "binding": 14.58, "selectivity": 6.72, "admet": 3.65, "novelty": 5.02, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.831, "fraction": 0.684}, "binding": {"pIC50": 7.44, "LE": 0.268, "potency_term": 0.815, "efficiency_cap": 0.895}, "selectivity": {"fold": 6.7, "selectivity_term": 0.412, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.397, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.156, "ld50-zhu": 0.713, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.831241796965006, "aff_pf": -1.4449858665466309, "aff_hs": -0.6204707324504852, "repeats_pf": {"runs": 3, "values": [-1.3873, -1.5461, -1.4015], "mean": -1.445, "spread": 0.1588}, "repeats_hs": {"runs": 3, "values": [-0.4174, -0.3687, -1.0753], "mean": -0.6205, "spread": 0.7066}, "at": 1788426034}, "tier": 1, "alerts": [], "total_sd": 1.643, "total_ci95": [50.255, 56.618], "relegate_reason": [], "submitted_at": 1788362687, "scored_at": 1788426034, "rank": 1603}, {"candidate_id": "ODC-FAAF1E", "res_at": 1786897738, "skeleton": "IFYMMSXAAXPRDL", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 53.31, "axes": {"activity": 8.76, "binding": 18.49, "selectivity": 10.02, "admet": 6.84, "novelty": 4.7, "synthesis": 4.5}, "detail": {"activity": {"pAct_q10": 5.125, "fraction": 0.292}, "binding": {"pIC50": 7.77, "LE": 0.507, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.856, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.31, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.336, "herg": 0.708, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "2", "pAct_q10": 5.12532596255926, "aff_pf": -1.7729933261871338, "aff_hs": -0.6884289383888245, "repeats_pf": {"runs": 3, "values": [-1.7311, -1.7955, -1.7925], "mean": -1.773, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [-0.6411, -0.6883, -0.7358], "mean": -0.6884, "spread": 0.0947}, "at": 1786897738}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892637, "scored_at": 1786897738, "alerts": [], "rank": 1604}, {"candidate_id": "ODC-381192", "res_at": 1787707093, "skeleton": "LXVQLYSTSXYOIZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)O··········F)CC1", "total": 53.304, "axes": {"activity": 26.23, "binding": 9.66, "selectivity": 2.96, "admet": 6.71, "novelty": 6.67, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 6.174, "fraction": 0.874}, "binding": {"pIC50": 6.55, "LE": 0.28, "potency_term": 0.517, "efficiency_cap": 0.935}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.517}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.626, "cyp2c9-veith": 0.986, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.815, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 5.14}}, "run": {"gpu": "3", "pAct_q10": 6.173513801576452, "aff_pf": -0.5506657361984253, "aff_hs": 0.02171586702267329, "repeats_pf": {"runs": 3, "values": [-0.5352, -0.564, -0.5528], "mean": -0.5507, "spread": 0.0289}, "repeats_hs": {"runs": 3, "values": [0.1232, 0.0214, -0.0795], "mean": 0.0217, "spread": 0.2027}, "at": 1787707093}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705692, "scored_at": 1787707093, "alerts": [], "rank": 1605}, {"candidate_id": "ODC-A3A006", "res_at": 1786829386, "skeleton": "IVRIYQPRKSQWBL", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.283, "axes": {"activity": 14.62, "binding": 17.3, "selectivity": 9.07, "admet": 5.07, "novelty": 2.94, "synthesis": 4.28}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 7.6, "LE": 0.452, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.469, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.285, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.4770485638862665, "aff_pf": -1.5955419540405273, "aff_hs": -0.5474227666854858, "repeats_pf": {"runs": 3, "values": [-1.6659, -1.5711, -1.5497], "mean": -1.5955, "spread": 0.1162}, "repeats_hs": {"runs": 3, "values": [-0.5397, -0.5319, -0.5707], "mean": -0.5474, "spread": 0.0388}, "at": 1786829386}, "tier": 1, "relegate_reason": [], "submitted_at": 1786792145, "scored_at": 1786829386, "alerts": [], "rank": 1606}, {"candidate_id": "ODC-68CA1F", "res_at": 1787220957, "skeleton": "GVPUNMCZWDVUNU", "hf_user": "takutoyo", "display_name": "PfD9-A3", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 53.278, "axes": {"activity": 22.0, "binding": 12.94, "selectivity": 5.36, "admet": 5.38, "novelty": 4.85, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.92, "fraction": 0.733}, "binding": {"pIC50": 6.94, "LE": 0.38, "potency_term": 0.647, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.647}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.402, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.537, "herg": 0.603, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.919739475596413, "aff_pf": -0.941115160783132, "aff_hs": -0.11336179574330647, "repeats_pf": {"runs": 3, "values": [-1.1224, -0.8277, -0.8732], "mean": -0.9411, "spread": 0.2947}, "repeats_hs": {"runs": 3, "values": [0.1129, -0.2119, -0.2411], "mean": -0.1134, "spread": 0.354}, "at": 1787220957}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218615, "scored_at": 1787220957, "alerts": [], "rank": 1607}, {"candidate_id": "ODC-BE5996", "res_at": 1789267149, "skeleton": "IDBLTQVLRSJLDF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 53.272, "axes": {"activity": 18.85, "binding": 15.03, "selectivity": 5.38, "admet": 6.04, "novelty": 4.62, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.731, "fraction": 0.628}, "binding": {"pIC50": 7.25, "LE": 0.414, "potency_term": 0.751, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.358, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.465, "cyp3a4-substrate-carbonmangels": 0.689, "ld50-zhu": 0.412, "herg": 0.459, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.730953945260758, "aff_pf": -1.2542750040690105, "aff_hs": -0.5386515557765961, "repeats_pf": {"runs": 3, "values": [-1.2022, -1.2039, -1.3567], "mean": -1.2543, "spread": 0.1545}, "repeats_hs": {"runs": 3, "values": [-0.5449, -0.5789, -0.4922], "mean": -0.5387, "spread": 0.0868}, "at": 1789267149}, "tier": 1, "alerts": [], "total_sd": 1.072, "total_ci95": [51.908, 55.641], "relegate_reason": [], "submitted_at": 1789263468, "scored_at": 1789267149, "rank": 1608}, {"candidate_id": "ODC-D25F9B", "res_at": 1789346528, "skeleton": "ZMRHQDIVQIBUGD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.271, "axes": {"activity": 16.4, "binding": 16.8, "selectivity": 7.63, "admet": 4.44, "novelty": 4.84, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.584, "fraction": 0.547}, "binding": {"pIC50": 7.52, "LE": 0.382, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.782, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.562, "herg": 0.112, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.5837074574518075, "aff_pf": -1.5201395352681477, "aff_hs": -0.6119325160980225, "repeats_pf": {"runs": 3, "values": [-1.4947, -1.5374, -1.5284], "mean": -1.5201, "spread": 0.0427}, "repeats_hs": {"runs": 3, "values": [-0.7334, -0.5364, -0.566], "mean": -0.6119, "spread": 0.197}, "at": 1789346528}, "tier": 1, "alerts": [], "total_sd": 0.49, "total_ci95": [52.252, 54.072], "relegate_reason": [], "submitted_at": 1789345793, "scored_at": 1789346528, "rank": 1609}, {"candidate_id": "ODC-77BE2F", "res_at": 1787014312, "skeleton": "DMFXSMYPOMHZRV", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 53.263, "axes": {"activity": 26.3, "binding": 7.9, "selectivity": 4.32, "admet": 5.18, "novelty": 6.07, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.178, "fraction": 0.877}, "binding": {"pIC50": 6.28, "LE": 0.278, "potency_term": 0.427, "efficiency_cap": 0.925}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.698, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 6.177962642165847, "aff_pf": -0.2803455889225006, "aff_hs": 0.731520434220632, "repeats_pf": {"runs": 3, "values": [-0.2377, -0.2763, -0.327], "mean": -0.2803, "spread": 0.0892}, "repeats_hs": {"runs": 3, "values": [0.6251, 0.8793, 0.6902], "mean": 0.7315, "spread": 0.2542}, "at": 1787014312}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013587, "scored_at": 1787014312, "alerts": [], "rank": 1610}, {"candidate_id": "ODC-534844", "res_at": 1787507670, "skeleton": "LHZVMVVWLPOXGQ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-APX01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.256, "axes": {"activity": 19.63, "binding": 16.29, "selectivity": 6.35, "admet": 4.35, "novelty": 3.2, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.778, "fraction": 0.654}, "binding": {"pIC50": 7.44, "LE": 0.378, "potency_term": 0.814, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.064, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.556, "herg": 0.165, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.777731536746963, "aff_pf": -1.443168083826701, "aff_hs": -0.6631747782230377, "repeats_pf": {"runs": 3, "values": [-1.4591, -1.4569, -1.4134], "mean": -1.4432, "spread": 0.0457}, "repeats_hs": {"runs": 3, "values": [-0.8844, -0.287, -0.8181], "mean": -0.6632, "spread": 0.5974}, "at": 1787507670}, "tier": 1, "relegate_reason": [], "submitted_at": 1787507480, "scored_at": 1787507670, "alerts": [], "rank": 1611}, {"candidate_id": "ODC-E151E2", "res_at": 1786902449, "skeleton": "UHKPARICVPZUDR", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(F··········)n2n1", "total": 53.248, "axes": {"activity": 14.77, "binding": 15.73, "selectivity": 10.52, "admet": 5.02, "novelty": 3.8, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.7, "selectivity_term": 0.669, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.652, "ld50-zhu": 0.545, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.486371473406426, "aff_pf": -1.3595110177993774, "aff_hs": -0.022235443194707234, "repeats_pf": {"runs": 3, "values": [-1.2579, -1.4274, -1.3933], "mean": -1.3595, "spread": 0.1695}, "repeats_hs": {"runs": 3, "values": [0.1431, -0.1412, -0.0686], "mean": -0.0222, "spread": 0.2843}, "at": 1786902449}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890253, "scored_at": 1786902449, "alerts": [], "rank": 1612}, {"candidate_id": "ODC-F22560", "res_at": 1789198460, "skeleton": "CKSYRVNYLYWDPQ", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_SC_5Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········cc1Cl", "total": 53.235, "axes": {"activity": 13.2, "binding": 16.74, "selectivity": 9.51, "admet": 5.75, "novelty": 4.62, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.392, "fraction": 0.44}, "binding": {"pIC50": 7.51, "LE": 0.447, "potency_term": 0.837, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.837}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.279, "ld50-zhu": 0.479, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.392073885798156, "aff_pf": -1.5106041828791301, "aff_hs": -0.37404564023017883, "repeats_pf": {"runs": 3, "values": [-1.5651, -1.4927, -1.474], "mean": -1.5106, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [-0.3549, -0.389, -0.3783], "mean": -0.374, "spread": 0.0341}, "at": 1789198460}, "tier": 1, "alerts": [], "total_sd": 0.542, "total_ci95": [52.465, 54.539], "relegate_reason": [], "submitted_at": 1789177485, "scored_at": 1789198460, "rank": 1613}, {"candidate_id": "ODC-9A4DB4", "res_at": 1789623277, "skeleton": "WMGILNKCTUOIMX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.231, "axes": {"activity": 16.89, "binding": 17.87, "selectivity": 4.89, "admet": 5.12, "novelty": 4.89, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.613, "fraction": 0.563}, "binding": {"pIC50": 7.68, "LE": 0.405, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.54, "herg": 0.11, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.613395320680501, "aff_pf": -1.6799168189366658, "aff_hs": -1.132449785868327, "repeats_pf": {"runs": 3, "values": [-1.7323, -1.5987, -1.7088], "mean": -1.6799, "spread": 0.1336}, "repeats_hs": {"runs": 3, "values": [-0.927, -1.0721, -1.3982], "mean": -1.1324, "spread": 0.4712}, "at": 1789623277}, "tier": 1, "alerts": [], "total_sd": 1.225, "total_ci95": [50.857, 55.666], "relegate_reason": [], "submitted_at": 1789619240, "scored_at": 1789623277, "rank": 1614}, {"candidate_id": "ODC-576C2A", "res_at": 1786855500, "skeleton": "YNJVRRPVVXLTLQ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.229, "axes": {"activity": 12.33, "binding": 15.74, "selectivity": 12.18, "admet": 5.76, "novelty": 3.86, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 7.36, "LE": 0.42, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.3, "selectivity_term": 0.774, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.448, "herg": 0.459, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.339588323318725, "aff_pf": -1.361006736755371, "aff_hs": 0.1865526686112086, "repeats_pf": {"runs": 3, "values": [-1.3992, -1.3084, -1.3754], "mean": -1.361, "spread": 0.0907}, "repeats_hs": {"runs": 3, "values": [0.1908, 0.1507, 0.2182], "mean": 0.1866, "spread": 0.0675}, "at": 1786855500}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847782, "scored_at": 1786855500, "alerts": [], "rank": 1615}, {"candidate_id": "ODC-FD6640", "res_at": 1788228408, "skeleton": "NNTOFWFGTRLUPI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 53.212, "axes": {"activity": 10.58, "binding": 16.7, "selectivity": 11.92, "admet": 6.31, "novelty": 4.96, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.235, "fraction": 0.353}, "binding": {"pIC50": 7.51, "LE": 0.428, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.7, "selectivity_term": 0.714, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.544, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.404, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.487, "herg": 0.668, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.235011730866392, "aff_pf": -1.5056390364964802, "aff_hs": -0.07850374778111775, "repeats_pf": {"runs": 3, "values": [-1.4805, -1.4928, -1.5436], "mean": -1.5056, "spread": 0.0631}, "repeats_hs": {"runs": 3, "values": [-0.094, -0.1025, -0.0389], "mean": -0.0785, "spread": 0.0636}, "at": 1788228408}, "tier": 1, "alerts": [], "total_sd": 0.4, "total_ci95": [52.577, 54.081], "relegate_reason": [], "submitted_at": 1788172487, "scored_at": 1788228408, "rank": 1616}, {"candidate_id": "ODC-D8B4F7", "res_at": 1788492360, "skeleton": "IUYHXVIMEZEFES", "hf_user": "Ku-ku", "display_name": "KK-M-0903-867", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 53.209, "axes": {"activity": 9.19, "binding": 17.74, "selectivity": 12.87, "admet": 4.2, "novelty": 6.59, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.152, "fraction": 0.306}, "binding": {"pIC50": 7.66, "LE": 0.389, "potency_term": 0.887, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.2, "selectivity_term": 0.725, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.499, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "0", "pAct_q10": 5.15159024008068, "aff_pf": -1.661728024482727, "aff_hs": -0.21132531265417734, "repeats_pf": {"runs": 3, "values": [-1.5417, -1.5565, -1.887], "mean": -1.6617, "spread": 0.3454}, "repeats_hs": {"runs": 3, "values": [-0.2088, -0.2251, -0.2001], "mean": -0.2113, "spread": 0.0251}, "at": 1788492360}, "tier": 1, "alerts": [], "total_sd": 2.298, "total_ci95": [50.211, 59.021], "relegate_reason": [], "submitted_at": 1788430782, "scored_at": 1788492360, "rank": 1617}, {"candidate_id": "ODC-374E6B", "res_at": 1786836652, "skeleton": "QYYZWCNNIHDOGR", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.202, "axes": {"activity": 13.84, "binding": 17.14, "selectivity": 6.95, "admet": 6.95, "novelty": 4.43, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 7.57, "LE": 0.471, "potency_term": 0.857, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.575, "cyp3a4-substrate-carbonmangels": 0.205, "ld50-zhu": 0.423, "herg": 0.916, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.430315810571291, "aff_pf": -1.5706226030985515, "aff_hs": -0.7593581279118856, "repeats_pf": {"runs": 3, "values": [-1.4705, -1.648, -1.5934], "mean": -1.5706, "spread": 0.1775}, "repeats_hs": {"runs": 3, "values": [-0.7079, -0.7322, -0.838], "mean": -0.7594, "spread": 0.1302}, "at": 1786836652}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804211, "scored_at": 1786836652, "alerts": [], "rank": 1618}, {"candidate_id": "ODC-8F2061", "res_at": 1786885603, "skeleton": "JLKSITBGEFWNFW", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 53.202, "axes": {"activity": 10.73, "binding": 18.44, "selectivity": 8.76, "admet": 6.17, "novelty": 5.22, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.244, "fraction": 0.358}, "binding": {"pIC50": 7.77, "LE": 0.443, "potency_term": 0.922, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.499, "herg": 0.526, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.244054623060374, "aff_pf": -1.7654398282368977, "aff_hs": -0.815040389696757, "repeats_pf": {"runs": 3, "values": [-1.7695, -1.7663, -1.7604], "mean": -1.7654, "spread": 0.0091}, "repeats_hs": {"runs": 3, "values": [-0.7693, -0.7607, -0.9151], "mean": -0.815, "spread": 0.1544}, "at": 1786885603}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875250, "scored_at": 1786885603, "alerts": [], "rank": 1619}, {"candidate_id": "ODC-D48043", "res_at": 1786846921, "skeleton": "BJPFVDSFTHGSCR", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "claude science(Opus5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.199, "axes": {"activity": 14.68, "binding": 15.2, "selectivity": 12.36, "admet": 5.33, "novelty": 2.06, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 7.28, "LE": 0.384, "potency_term": 0.76, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.4, "selectivity_term": 0.813, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.49, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.449, "herg": 0.404, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "2", "pAct_q10": 5.480661489323988, "aff_pf": -1.2794179916381836, "aff_hs": 0.3474588692188263, "repeats_pf": {"runs": 3, "values": [-1.2124, -1.3115, -1.3144], "mean": -1.2794, "spread": 0.102}, "repeats_hs": {"runs": 3, "values": [0.2963, 0.339, 0.4071], "mean": 0.3475, "spread": 0.1108}, "at": 1786846921}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845413, "scored_at": 1786846921, "alerts": [], "rank": 1620}, {"candidate_id": "ODC-BE51E4", "res_at": 1788235223, "skeleton": "MSRYZUZTOSYUNE", "hf_user": "Bio-JS", "display_name": "0901-S1 사이클로뷰틸-에타이닐 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CCC1", "total": 53.195, "axes": {"activity": 17.55, "binding": 13.45, "selectivity": 12.12, "admet": 2.86, "novelty": 4.57, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.653, "fraction": 0.585}, "binding": {"pIC50": 7.21, "LE": 0.274, "potency_term": 0.736, "efficiency_cap": 0.914}, "selectivity": {"fold": 44.4, "selectivity_term": 0.824, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.396, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.205}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.653005360370726, "aff_pf": -1.207004229227702, "aff_hs": 0.4403502543767293, "repeats_pf": {"runs": 3, "values": [-1.1636, -1.0831, -1.3743], "mean": -1.207, "spread": 0.2912}, "repeats_hs": {"runs": 3, "values": [0.3938, 0.5232, 0.4041], "mean": 0.4404, "spread": 0.1294}, "at": 1788235223}, "tier": 1, "alerts": [], "total_sd": 1.758, "total_ci95": [50.339, 57.809], "relegate_reason": [], "submitted_at": 1788222274, "scored_at": 1788235223, "rank": 1621}, {"candidate_id": "ODC-553DCE", "res_at": 1787043603, "skeleton": "AMYVCSHPCXJUJM", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 53.158, "axes": {"activity": 13.83, "binding": 14.07, "selectivity": 13.49, "admet": 4.94, "novelty": 3.83, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 7.11, "LE": 0.464, "potency_term": 0.703, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.7, "selectivity_term": 0.959, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.466, "herg": 0.293, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.430040061131811, "aff_pf": -1.1104443868001301, "aff_hs": 0.8070158362388611, "repeats_pf": {"runs": 3, "values": [-1.1066, -1.0962, -1.1285], "mean": -1.1104, "spread": 0.0324}, "repeats_hs": {"runs": 3, "values": [0.7862, 0.8701, 0.7647], "mean": 0.807, "spread": 0.1054}, "at": 1787043603}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038343, "scored_at": 1787043603, "alerts": [], "rank": 1622}, {"candidate_id": "ODC-E7CC25", "res_at": 1788329597, "skeleton": "QAYONPKFLOMAMU", "hf_user": "Bio-JS", "display_name": "0902-원위메틸피라졸 HA30", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 53.156, "axes": {"activity": 16.28, "binding": 17.7, "selectivity": 6.23, "admet": 3.52, "novelty": 6.13, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.577, "fraction": 0.543}, "binding": {"pIC50": 7.65, "LE": 0.35, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.552, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 5.576847756263408, "aff_pf": -1.654276172320048, "aff_hs": -0.9495644966761271, "repeats_pf": {"runs": 3, "values": [-1.5921, -1.6848, -1.686], "mean": -1.6543, "spread": 0.0939}, "repeats_hs": {"runs": 3, "values": [-0.9876, -0.8378, -1.0233], "mean": -0.9496, "spread": 0.1854}, "at": 1788329597}, "tier": 1, "alerts": [], "total_sd": 0.694, "total_ci95": [51.755, 54.407], "relegate_reason": [], "submitted_at": 1788327316, "scored_at": 1788329597, "rank": 1623}, {"candidate_id": "ODC-C763CF", "res_at": 1786846941, "skeleton": "PCERZPMCQFGELI", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.155, "axes": {"activity": 11.73, "binding": 15.78, "selectivity": 12.72, "admet": 5.59, "novelty": 3.82, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.304, "fraction": 0.391}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.9, "selectivity_term": 0.806, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.407, "ld50-zhu": 0.575, "herg": 0.325, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.3037927322702645, "aff_pf": -1.3669578631718953, "aff_hs": 0.24463650087515512, "repeats_pf": {"runs": 3, "values": [-1.3702, -1.4005, -1.3301], "mean": -1.367, "spread": 0.0704}, "repeats_hs": {"runs": 3, "values": [0.2638, 0.2186, 0.2514], "mean": 0.2446, "spread": 0.0452}, "at": 1786846941}, "tier": 1, "relegate_reason": [], "submitted_at": 1786838751, "scored_at": 1786846941, "alerts": [], "rank": 1624}, {"candidate_id": "ODC-76F12B", "res_at": 1787615333, "skeleton": "VKNYVHQKZXSRJL", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-메틸사이클로부탄온-3-일 (4원 C=O)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 53.147, "axes": {"activity": 19.49, "binding": 12.84, "selectivity": 10.81, "admet": 2.93, "novelty": 4.36, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.769, "fraction": 0.65}, "binding": {"pIC50": 7.18, "LE": 0.266, "potency_term": 0.725, "efficiency_cap": 0.886}, "selectivity": {"fold": 31.0, "selectivity_term": 0.745, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.448, "hia-hou": 1.0, "bioavailability-ma": 0.989, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.494, "herg": 0.05, "dili": 0.308}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.7691237569558185, "aff_pf": -1.1751121282577515, "aff_hs": 0.3157508671283722, "repeats_pf": {"runs": 3, "values": [-1.2652, -1.1676, -1.0926], "mean": -1.1751, "spread": 0.1726}, "repeats_hs": {"runs": 3, "values": [0.3666, 0.3083, 0.2724], "mean": 0.3158, "spread": 0.0942}, "at": 1787615333}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614415, "scored_at": 1787615333, "alerts": [], "rank": 1625}, {"candidate_id": "ODC-ABB475", "res_at": 1789962684, "skeleton": "PKUULGXXGAJLEB", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 53.144, "axes": {"activity": 17.09, "binding": 15.78, "selectivity": 8.08, "admet": 4.44, "novelty": 4.27, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 7.37, "LE": 0.404, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.512, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.68, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.564, "herg": 0.201, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.625619888555583, "aff_pf": -1.367718776067098, "aff_hs": -0.3436608612537384, "repeats_pf": {"runs": 3, "values": [-1.3515, -1.361, -1.3906], "mean": -1.3677, "spread": 0.0392}, "repeats_hs": {"runs": 3, "values": [-0.3081, -0.3457, -0.3771], "mean": -0.3437, "spread": 0.069}, "at": 1789962684}, "tier": 1, "alerts": [], "total_sd": 0.265, "total_ci95": [52.653, 53.659], "relegate_reason": [], "submitted_at": 1789889239, "scored_at": 1789962684, "rank": 1626}, {"candidate_id": "ODC-C573E3", "res_at": 1787638333, "skeleton": "DSOQNWPQHDMPAA", "hf_user": "Moonweave", "display_name": "M5AI-LOC-CAND-02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 53.142, "axes": {"activity": 17.76, "binding": 15.65, "selectivity": 8.94, "admet": 3.66, "novelty": 3.24, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 7.35, "LE": 0.36, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.366, "herg": 0.05, "dili": 0.876}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 5.665614784222293, "aff_pf": -1.3476414680480957, "aff_hs": -0.20582597454388937, "repeats_pf": {"runs": 3, "values": [-1.2275, -1.3554, -1.4601], "mean": -1.3476, "spread": 0.2325}, "repeats_hs": {"runs": 3, "values": [-0.2251, -0.183, -0.2093], "mean": -0.2058, "spread": 0.042}, "at": 1787638333}, "tier": 1, "relegate_reason": [], "submitted_at": 1787636017, "scored_at": 1787638333, "alerts": [], "rank": 1627}, {"candidate_id": "ODC-E28BB3", "res_at": 1789593057, "skeleton": "WVWQYDBIKMGRIB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.138, "axes": {"activity": 20.11, "binding": 17.43, "selectivity": 2.94, "admet": 4.38, "novelty": 4.57, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.806, "fraction": 0.67}, "binding": {"pIC50": 7.61, "LE": 0.401, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.169, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.423, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.806488705871687, "aff_pf": -1.614452838897705, "aff_hs": -1.2767130136489868, "repeats_pf": {"runs": 3, "values": [-1.6111, -1.6108, -1.6215], "mean": -1.6145, "spread": 0.0107}, "repeats_hs": {"runs": 3, "values": [-1.416, -1.2132, -1.2009], "mean": -1.2767, "spread": 0.2151}, "at": 1789593057}, "tier": 1, "alerts": [], "total_sd": 0.488, "total_ci95": [51.999, 53.874], "relegate_reason": [], "submitted_at": 1789581446, "scored_at": 1789593057, "rank": 1628}, {"candidate_id": "ODC-68AA09", "res_at": 1786831049, "skeleton": "YPSQYSSAFIEZHD", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.098, "axes": {"activity": 13.59, "binding": 15.98, "selectivity": 11.84, "admet": 5.95, "novelty": 2.0, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.415, "fraction": 0.453}, "binding": {"pIC50": 7.4, "LE": 0.461, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.4, "selectivity_term": 0.741, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.447, "ld50-zhu": 0.302, "herg": 0.694, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.75, "novelty": 0.25}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "2", "pAct_q10": 5.4154799581909066, "aff_pf": -1.396645228068034, "aff_hs": 0.08557248612244923, "repeats_pf": {"runs": 3, "values": [-1.3315, -1.3407, -1.5177], "mean": -1.3966, "spread": 0.1862}, "repeats_hs": {"runs": 3, "values": [0.1906, 0.0779, -0.0117], "mean": 0.0856, "spread": 0.2023}, "at": 1786831049}, "tier": 1, "relegate_reason": [], "submitted_at": 1786795758, "scored_at": 1786831049, "alerts": [], "rank": 1629}, {"candidate_id": "ODC-74C7BC", "res_at": 1786784543, "skeleton": "QRPRCQIKDISHFV", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.094, "axes": {"activity": 14.75, "binding": 17.18, "selectivity": 9.99, "admet": 5.78, "novelty": 1.28, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.492}, "binding": {"pIC50": 7.58, "LE": 0.451, "potency_term": 0.859, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.581, "target_engagement": 0.859}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.276, "herg": 0.47, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.851, "novelty": 0.149}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.4850245921774095, "aff_pf": -1.5768112341562908, "aff_hs": -0.41397584478060406, "repeats_pf": {"runs": 3, "values": [-1.5775, -1.6337, -1.5192], "mean": -1.5768, "spread": 0.1146}, "repeats_hs": {"runs": 3, "values": [-0.4164, -0.4031, -0.4225], "mean": -0.414, "spread": 0.0194}, "at": 1786784543}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780445, "scored_at": 1786784543, "alerts": [], "rank": 1630}, {"candidate_id": "ODC-51E941", "res_at": 1789533841, "skeleton": "JSXLZUNBWRRIED", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 53.082, "axes": {"activity": 5.03, "binding": 18.97, "selectivity": 15.17, "admet": 4.53, "novelty": 5.34, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 4.902, "fraction": 0.168}, "binding": {"pIC50": 7.85, "LE": 0.43, "potency_term": 0.949, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.7, "selectivity_term": 0.799, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.681, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.554, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 4.9017495798574275, "aff_pf": -1.8461848497390747, "aff_hs": -0.24739618599414825, "repeats_pf": {"runs": 3, "values": [-1.8693, -1.8545, -1.8148], "mean": -1.8462, "spread": 0.0544}, "repeats_hs": {"runs": 3, "values": [-0.2741, -0.2502, -0.2179], "mean": -0.2474, "spread": 0.0561}, "at": 1789533841}, "tier": 1, "alerts": [], "total_sd": 0.379, "total_ci95": [52.428, 53.769], "relegate_reason": [], "submitted_at": 1789524945, "scored_at": 1789533841, "rank": 1631}, {"candidate_id": "ODC-C03990", "res_at": 1786909870, "skeleton": "GHILVKJXACHVCP", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 53.08, "axes": {"activity": 21.96, "binding": 14.84, "selectivity": 3.89, "admet": 4.57, "novelty": 4.61, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.917, "fraction": 0.732}, "binding": {"pIC50": 7.23, "LE": 0.367, "potency_term": 0.742, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.889, "ld50-zhu": 0.612, "herg": 0.112, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.917475136129114, "aff_pf": -1.226130525271098, "aff_hs": -0.7016557852427164, "repeats_pf": {"runs": 3, "values": [-1.176, -1.2436, -1.2587], "mean": -1.2261, "spread": 0.0827}, "repeats_hs": {"runs": 3, "values": [-0.752, -0.7081, -0.6448], "mean": -0.7017, "spread": 0.1072}, "at": 1786909870}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899522, "scored_at": 1786909870, "alerts": [], "rank": 1632}, {"candidate_id": "ODC-EE0A3A", "res_at": 1789010746, "skeleton": "ZJDLBNRHZBGDAS", "hf_user": "Bio-JS", "display_name": "0910c-S1-11", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 53.076, "axes": {"activity": 12.74, "binding": 15.13, "selectivity": 13.65, "admet": 5.32, "novelty": 2.86, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 7.27, "LE": 0.433, "potency_term": 0.757, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.7, "selectivity_term": 0.902, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.542, "herg": 0.544, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.364558391974565, "aff_pf": -1.2699875434239705, "aff_hs": 0.5341116786003113, "repeats_pf": {"runs": 3, "values": [-1.2506, -1.264, -1.2953], "mean": -1.27, "spread": 0.0447}, "repeats_hs": {"runs": 3, "values": [0.4484, 0.5715, 0.5824], "mean": 0.5341, "spread": 0.134}, "at": 1789010746}, "tier": 1, "alerts": [], "total_sd": 0.39, "total_ci95": [52.363, 53.794], "relegate_reason": [], "submitted_at": 1789006240, "scored_at": 1789010746, "rank": 1633}, {"candidate_id": "ODC-9CB0FE", "res_at": 1787054110, "skeleton": "ORUYXZRRWOQSOT", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 53.045, "axes": {"activity": 15.61, "binding": 15.61, "selectivity": 10.15, "admet": 4.51, "novelty": 3.63, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.536, "fraction": 0.52}, "binding": {"pIC50": 7.34, "LE": 0.402, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.0, "selectivity_term": 0.65, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.416, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.357, "ld50-zhu": 0.628, "herg": 0.11, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.53639766854385, "aff_pf": -1.3415728410085042, "aff_hs": -0.0414303590854009, "repeats_pf": {"runs": 3, "values": [-1.4155, -1.317, -1.2923], "mean": -1.3416, "spread": 0.1231}, "repeats_hs": {"runs": 3, "values": [-0.0594, 0.0082, -0.073], "mean": -0.0414, "spread": 0.0812}, "at": 1787054110}, "tier": 1, "relegate_reason": [], "submitted_at": 1787053616, "scored_at": 1787054110, "alerts": [], "rank": 1634}, {"candidate_id": "ODC-C2E37B", "res_at": 1787708259, "skeleton": "FCFNPYYSMFIHJW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 53.043, "axes": {"activity": 25.11, "binding": 10.01, "selectivity": 2.22, "admet": 7.94, "novelty": 6.42, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 6.55, "LE": 0.29, "potency_term": 0.518, "efficiency_cap": 0.966}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.518}, "admet": {"geometric_mean": 0.633, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.952, "cyp3a4-substrate-carbonmangels": 0.19, "ld50-zhu": 0.89, "herg": 0.05, "dili": 0.922}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.88}}, "run": {"gpu": "3", "pAct_q10": 6.106898169802986, "aff_pf": -0.5544879039128622, "aff_hs": -0.126561830441157, "repeats_pf": {"runs": 3, "values": [-0.6909, -0.5538, -0.4188], "mean": -0.5545, "spread": 0.2721}, "repeats_hs": {"runs": 3, "values": [-0.1659, -0.1039, -0.1099], "mean": -0.1266, "spread": 0.062}, "at": 1787708259}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705769, "scored_at": 1787708259, "alerts": [], "rank": 1635}, {"candidate_id": "ODC-BC09C1", "res_at": 1788439741, "skeleton": "YNVUPFSLFYAHCY", "hf_user": "Bio-JS", "display_name": "0903-S1-26 oCC_mF/oxetane/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 53.012, "axes": {"activity": 19.89, "binding": 14.58, "selectivity": 8.17, "admet": 3.09, "novelty": 5.38, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.663}, "binding": {"pIC50": 7.49, "LE": 0.263, "potency_term": 0.831, "efficiency_cap": 0.877}, "selectivity": {"fold": 9.6, "selectivity_term": 0.492, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.483, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.05, "dili": 0.286}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 4.18}}, "run": {"gpu": "0", "pAct_q10": 5.793511211035979, "aff_pf": -1.4929020404815674, "aff_hs": -0.509576678276062, "repeats_pf": {"runs": 3, "values": [-1.4264, -1.5707, -1.4816], "mean": -1.4929, "spread": 0.1443}, "repeats_hs": {"runs": 3, "values": [-0.5026, -0.5161, -0.51], "mean": -0.5096, "spread": 0.0135}, "at": 1788439741}, "tier": 1, "alerts": [], "total_sd": 0.867, "total_ci95": [51.376, 54.98], "relegate_reason": [], "submitted_at": 1788362952, "scored_at": 1788439741, "rank": 1636}, {"candidate_id": "ODC-69818E", "res_at": 1787197576, "skeleton": "HYPWYIDDIRRTBY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 53.01, "axes": {"activity": 26.28, "binding": 8.83, "selectivity": 3.1, "admet": 5.1, "novelty": 6.23, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.177, "fraction": 0.876}, "binding": {"pIC50": 6.51, "LE": 0.262, "potency_term": 0.505, "efficiency_cap": 0.875}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.608, "caco2-wang": 0.304, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.177031887357579, "aff_pf": -0.5143202841281891, "aff_hs": 0.10035793979962666, "repeats_pf": {"runs": 3, "values": [-0.4677, -0.4892, -0.5861], "mean": -0.5143, "spread": 0.1184}, "repeats_hs": {"runs": 3, "values": [-0.2593, -0.0176, 0.578], "mean": 0.1004, "spread": 0.8373}, "at": 1787197576}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192955, "scored_at": 1787197576, "alerts": [], "rank": 1637}, {"candidate_id": "ODC-4E34F1", "res_at": 1787084084, "skeleton": "ZEJYCMZIPHDEEC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 53.009, "axes": {"activity": 13.32, "binding": 15.67, "selectivity": 10.78, "admet": 5.05, "novelty": 4.85, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.399, "fraction": 0.444}, "binding": {"pIC50": 7.35, "LE": 0.438, "potency_term": 0.784, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.8, "selectivity_term": 0.688, "target_engagement": 0.784}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.489, "ld50-zhu": 0.381, "herg": 0.416, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.398929941192813, "aff_pf": -1.3509471813837688, "aff_hs": 0.025179400419195492, "repeats_pf": {"runs": 3, "values": [-1.4077, -1.3268, -1.3183], "mean": -1.3509, "spread": 0.0894}, "repeats_hs": {"runs": 3, "values": [0.0137, 0.0681, -0.0062], "mean": 0.0252, "spread": 0.0743}, "at": 1787084084}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074036, "scored_at": 1787084084, "alerts": [], "rank": 1638}, {"candidate_id": "ODC-22B97C", "res_at": 1786926707, "skeleton": "MHJYMBHWHIAPBW", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2CHF2-C6H-4CF3", "model_name": "ODC-2026-R6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 53.008, "axes": {"activity": 13.95, "binding": 15.25, "selectivity": 11.67, "admet": 5.69, "novelty": 3.05, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 7.29, "LE": 0.399, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.9, "selectivity_term": 0.765, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.789, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.392, "herg": 0.519, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "1", "pAct_q10": 5.4371298982088305, "aff_pf": -1.2880064646402996, "aff_hs": 0.24155851701895395, "repeats_pf": {"runs": 3, "values": [-1.253, -1.3369, -1.2742], "mean": -1.288, "spread": 0.0839}, "repeats_hs": {"runs": 3, "values": [0.2835, 0.2228, 0.2184], "mean": 0.2416, "spread": 0.0652}, "at": 1786926707}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923856, "scored_at": 1786926707, "alerts": [], "rank": 1639}, {"candidate_id": "ODC-E8A7FF", "res_at": 1790023169, "skeleton": "HQMBDPSXNIVXJU", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCOc1cc··········)cc1F", "total": 52.98, "axes": {"activity": 12.76, "binding": 15.08, "selectivity": 12.24, "admet": 5.25, "novelty": 4.6, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.425}, "binding": {"pIC50": 7.26, "LE": 0.433, "potency_term": 0.754, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.0, "selectivity_term": 0.812, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.81, "ld50-zhu": 0.541, "herg": 0.497, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.365875255147326, "aff_pf": -1.2622051239013672, "aff_hs": 0.3613898654778798, "repeats_pf": {"runs": 3, "values": [-1.2146, -1.2626, -1.3094], "mean": -1.2622, "spread": 0.0948}, "repeats_hs": {"runs": 3, "values": [0.302, 0.4128, 0.3694], "mean": 0.3614, "spread": 0.1108}, "at": 1790023169}, "tier": 1, "alerts": [], "total_sd": 0.594, "total_ci95": [51.783, 54.183], "relegate_reason": [], "submitted_at": 1790009009, "scored_at": 1790023169, "rank": 1640}, {"candidate_id": "ODC-1B7B7D", "res_at": 1786985310, "skeleton": "KLTMMRSJZWDVAX", "hf_user": "1Dmeds", "display_name": "ODC26-R7-08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.975, "axes": {"activity": 13.18, "binding": 16.67, "selectivity": 10.96, "admet": 5.63, "novelty": 2.6, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.439}, "binding": {"pIC50": 7.5, "LE": 0.489, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.439, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.269, "herg": 0.215, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "2", "pAct_q10": 5.390580684584181, "aff_pf": -1.5002480347951253, "aff_hs": -0.18559669454892477, "repeats_pf": {"runs": 3, "values": [-1.4961, -1.49, -1.5146], "mean": -1.5002, "spread": 0.0246}, "repeats_hs": {"runs": 3, "values": [-0.0837, -0.0582, -0.415], "mean": -0.1856, "spread": 0.3568}, "at": 1786985310}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980317, "scored_at": 1786985310, "alerts": [], "rank": 1641}, {"candidate_id": "ODC-8A33A4", "res_at": 1787721236, "skeleton": "ODWMWMKEBJUOOE", "hf_user": "Moonweave", "display_name": "M5AI-F2POS-CAND-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 52.975, "axes": {"activity": 16.31, "binding": 15.38, "selectivity": 9.94, "admet": 3.12, "novelty": 4.82, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 7.31, "LE": 0.334, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.6, "selectivity_term": 0.646, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.605, "herg": 0.05, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.578658142118319, "aff_pf": -1.3068455855051677, "aff_hs": -0.013998416562875112, "repeats_pf": {"runs": 3, "values": [-1.2728, -1.3313, -1.3165], "mean": -1.3068, "spread": 0.0585}, "repeats_hs": {"runs": 3, "values": [-0.0489, -0.0772, 0.0841], "mean": -0.014, "spread": 0.1613}, "at": 1787721236}, "tier": 1, "relegate_reason": [], "submitted_at": 1787718635, "scored_at": 1787721236, "alerts": [], "rank": 1642}, {"candidate_id": "ODC-DD6E5B", "res_at": 1788429128, "skeleton": "YJQRKUAVFSHLHI", "hf_user": "Bio-JS", "display_name": "0903-S1-09 oCC_mF/oxetane/tmSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 52.964, "axes": {"activity": 21.46, "binding": 11.83, "selectivity": 8.97, "admet": 3.01, "novelty": 5.1, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.888, "fraction": 0.715}, "binding": {"pIC50": 7.13, "LE": 0.25, "potency_term": 0.709, "efficiency_cap": 0.834}, "selectivity": {"fold": 18.4, "selectivity_term": 0.633, "target_engagement": 0.709}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.472, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "0", "pAct_q10": 5.887597593449668, "aff_pf": -1.1263999144236247, "aff_hs": 0.13903036216894785, "repeats_pf": {"runs": 3, "values": [-1.0694, -1.0767, -1.2331], "mean": -1.1264, "spread": 0.1637}, "repeats_hs": {"runs": 3, "values": [0.1523, 0.172, 0.0928], "mean": 0.139, "spread": 0.0792}, "at": 1788429128}, "tier": 1, "alerts": [], "total_sd": 0.824, "total_ci95": [51.827, 54.988], "relegate_reason": [], "submitted_at": 1788362739, "scored_at": 1788429128, "rank": 1643}, {"candidate_id": "ODC-D22AD9", "res_at": 1786928333, "skeleton": "JOBDAFGNGJWIIZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Br", "total": 52.959, "axes": {"activity": 19.45, "binding": 13.32, "selectivity": 9.01, "admet": 4.1, "novelty": 4.34, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.767, "fraction": 0.648}, "binding": {"pIC50": 7.0, "LE": 0.383, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.5, "selectivity_term": 0.676, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.451, "ld50-zhu": 0.449, "herg": 0.552, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.7669251971868984, "aff_pf": -0.9973686138788859, "aff_hs": 0.3551835020383199, "repeats_pf": {"runs": 3, "values": [-1.0404, -0.983, -0.9688], "mean": -0.9974, "spread": 0.0716}, "repeats_hs": {"runs": 3, "values": [0.2827, 0.4559, 0.3269], "mean": 0.3552, "spread": 0.1732}, "at": 1786928333}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924531, "scored_at": 1786928333, "alerts": [], "rank": 1644}, {"candidate_id": "ODC-97BDD3", "res_at": 1787882845, "skeleton": "JQPHJDHRBTZUOL", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L12", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········1CCC2", "total": 52.952, "axes": {"activity": 27.06, "binding": 11.68, "selectivity": 0.1, "admet": 4.23, "novelty": 6.26, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 6.224, "fraction": 0.902}, "binding": {"pIC50": 6.75, "LE": 0.343, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.077, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.87, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.523, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 6.223785157254764, "aff_pf": -0.7512619495391846, "aff_hs": -0.733721395333608, "repeats_pf": {"runs": 3, "values": [-0.7624, -0.7236, -0.7677], "mean": -0.7513, "spread": 0.0441}, "repeats_hs": {"runs": 3, "values": [-0.719, -0.7525, -0.7297], "mean": -0.7337, "spread": 0.0334}, "at": 1787882845}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822345, "scored_at": 1787882845, "alerts": [], "rank": 1645}, {"candidate_id": "ODC-6E4275", "res_at": 1786895912, "skeleton": "CTSKOWSQEVJKFV", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 52.932, "axes": {"activity": 14.13, "binding": 15.92, "selectivity": 10.75, "admet": 5.32, "novelty": 3.37, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.448, "fraction": 0.471}, "binding": {"pIC50": 7.39, "LE": 0.44, "potency_term": 0.796, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.289, "ld50-zhu": 0.244, "herg": 0.665, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.4475529902764555, "aff_pf": -1.387677550315857, "aff_hs": -0.03742016262064377, "repeats_pf": {"runs": 3, "values": [-1.378, -1.4051, -1.3799], "mean": -1.3877, "spread": 0.0271}, "repeats_hs": {"runs": 3, "values": [0.0468, -0.1465, -0.0125], "mean": -0.0374, "spread": 0.1933}, "at": 1786895912}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890252, "scored_at": 1786895912, "alerts": [], "rank": 1646}, {"candidate_id": "ODC-8CEACC", "res_at": 1788063692, "skeleton": "SSZYXOSXYMXMRS", "hf_user": "Bio-JS", "display_name": "09 A2 2-OMe/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)n2n1", "total": 52.926, "axes": {"activity": 20.68, "binding": 12.42, "selectivity": 9.75, "admet": 2.63, "novelty": 4.82, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.841, "fraction": 0.689}, "binding": {"pIC50": 7.16, "LE": 0.258, "potency_term": 0.721, "efficiency_cap": 0.861}, "selectivity": {"fold": 22.5, "selectivity_term": 0.676, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.448, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.762, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.840661264532414, "aff_pf": -1.1637554168701172, "aff_hs": 0.18826700250307718, "repeats_pf": {"runs": 3, "values": [-1.0907, -1.2365, -1.1641], "mean": -1.1638, "spread": 0.1458}, "repeats_hs": {"runs": 3, "values": [0.1867, 0.1569, 0.2213], "mean": 0.1883, "spread": 0.0644}, "at": 1788063692}, "tier": 1, "alerts": [], "total_sd": 0.635, "total_ci95": [51.852, 54.332], "relegate_reason": [], "submitted_at": 1788017347, "scored_at": 1788063692, "rank": 1647}, {"candidate_id": "ODC-000B98", "res_at": 1789574858, "skeleton": "GOMKKIGVYYVFAM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 52.925, "axes": {"activity": 21.94, "binding": 11.65, "selectivity": 7.05, "admet": 4.95, "novelty": 4.37, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.916, "fraction": 0.731}, "binding": {"pIC50": 6.75, "LE": 0.342, "potency_term": 0.582, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.152, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.495, "herg": 0.409, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.91626189142529, "aff_pf": -0.7468589941660563, "aff_hs": 0.4641919533411662, "repeats_pf": {"runs": 3, "values": [-0.7717, -0.7298, -0.7391], "mean": -0.7469, "spread": 0.0419}, "repeats_hs": {"runs": 3, "values": [0.4658, 0.4213, 0.5055], "mean": 0.4642, "spread": 0.0842}, "at": 1789574858}, "tier": 1, "alerts": [], "total_sd": 0.198, "total_ci95": [52.532, 53.337], "relegate_reason": [], "submitted_at": 1789571840, "scored_at": 1789574858, "rank": 1648}, {"candidate_id": "ODC-778AD0", "res_at": 1787719321, "skeleton": "VBDAEVNVIVFRCL", "hf_user": "1Dmeds", "display_name": "ODC26-R2-11-CF3", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 52.917, "axes": {"activity": 17.51, "binding": 16.49, "selectivity": 6.3, "admet": 4.6, "novelty": 4.56, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.651, "fraction": 0.584}, "binding": {"pIC50": 7.52, "LE": 0.294, "potency_term": 0.84, "efficiency_cap": 0.981}, "selectivity": {"fold": 5.6, "selectivity_term": 0.375, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.162, "ld50-zhu": 0.803, "herg": 0.05, "dili": 0.195}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.650610811344407, "aff_pf": -1.5202772219975789, "aff_hs": -0.769869883855184, "repeats_pf": {"runs": 3, "values": [-1.5558, -1.4503, -1.5547], "mean": -1.5203, "spread": 0.1055}, "repeats_hs": {"runs": 3, "values": [-0.8578, -0.8317, -0.62], "mean": -0.7699, "spread": 0.2378}, "at": 1787719321}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717403, "scored_at": 1787719321, "alerts": [], "rank": 1649}, {"candidate_id": "ODC-0A50CC", "res_at": 1787308224, "skeleton": "FFZOLDDPXDWJAO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········l)CC1", "total": 52.915, "axes": {"activity": 24.5, "binding": 10.51, "selectivity": 4.81, "admet": 4.32, "novelty": 5.51, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.07, "fraction": 0.817}, "binding": {"pIC50": 6.78, "LE": 0.265, "potency_term": 0.594, "efficiency_cap": 0.885}, "selectivity": {"fold": 6.5, "selectivity_term": 0.405, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.5, "caco2-wang": 0.314, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.725, "herg": 0.05, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.070165310065285, "aff_pf": -0.7821357250213623, "aff_hs": 0.027463612457116444, "repeats_pf": {"runs": 3, "values": [-0.6972, -0.7356, -0.9136], "mean": -0.7821, "spread": 0.2165}, "repeats_hs": {"runs": 3, "values": [0.0375, 0.1052, -0.0603], "mean": 0.0275, "spread": 0.1655}, "at": 1787308224}, "tier": 1, "relegate_reason": [], "submitted_at": 1787307000, "scored_at": 1787308224, "alerts": [], "rank": 1650}, {"candidate_id": "ODC-25606B", "res_at": 1789966578, "skeleton": "HBMVAUBOPJANRG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.912, "axes": {"activity": 14.33, "binding": 16.79, "selectivity": 10.19, "admet": 4.17, "novelty": 3.73, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.46, "fraction": 0.478}, "binding": {"pIC50": 7.52, "LE": 0.382, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.4, "selectivity_term": 0.607, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.052, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.35, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.542, "ld50-zhu": 0.699, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.459840659230182, "aff_pf": -1.5190457900365193, "aff_hs": -0.30532583097616833, "repeats_pf": {"runs": 3, "values": [-1.5282, -1.5387, -1.4902], "mean": -1.519, "spread": 0.0485}, "repeats_hs": {"runs": 3, "values": [-0.5109, -0.2176, -0.1875], "mean": -0.3053, "spread": 0.3234}, "at": 1789966578}, "tier": 1, "alerts": [], "total_sd": 0.75, "total_ci95": [51.419, 54.122], "relegate_reason": [], "submitted_at": 1789949189, "scored_at": 1789966578, "rank": 1651}, {"candidate_id": "ODC-9EB6A1", "res_at": 1786980613, "skeleton": "JLCBIKUCIDROHQ", "hf_user": "ipsych", "display_name": "TPV-vinyl5-SMe-4CF3-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 52.895, "axes": {"activity": 14.25, "binding": 17.3, "selectivity": 8.36, "admet": 4.8, "novelty": 4.68, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.6, "LE": 0.416, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.622, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.605, "herg": 0.256, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.455264819230245, "aff_pf": -1.595741589864095, "aff_hs": -0.6296969056129456, "repeats_pf": {"runs": 3, "values": [-1.6212, -1.5904, -1.5756], "mean": -1.5957, "spread": 0.0456}, "repeats_hs": {"runs": 3, "values": [-0.5363, -0.7177, -0.635], "mean": -0.6297, "spread": 0.1814}, "at": 1786980613}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977356, "scored_at": 1786980613, "alerts": [], "rank": 1652}, {"candidate_id": "ODC-124496", "res_at": 1787125388, "skeleton": "IPJVXIRCZPZFCY", "hf_user": "takutoyo", "display_name": "PfD7-A4", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········nc2n1", "total": 52.884, "axes": {"activity": 21.23, "binding": 10.39, "selectivity": 8.44, "admet": 5.18, "novelty": 4.61, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.874, "fraction": 0.708}, "binding": {"pIC50": 6.56, "LE": 0.359, "potency_term": 0.519, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.2, "selectivity_term": 0.813, "target_engagement": 0.519}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.409, "herg": 0.843, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.87370728689056, "aff_pf": -0.5579854249954224, "aff_hs": 1.0676490664482117, "repeats_pf": {"runs": 3, "values": [-0.6183, -0.5069, -0.5488], "mean": -0.558, "spread": 0.1114}, "repeats_hs": {"runs": 3, "values": [1.2645, 0.9645, 0.974], "mean": 1.0676, "spread": 0.3}, "at": 1787125388}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108187, "scored_at": 1787125388, "alerts": [], "rank": 1653}, {"candidate_id": "ODC-90CD02", "res_at": 1787706897, "skeleton": "DNNULFXYMBBJBL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 52.884, "axes": {"activity": 26.67, "binding": 10.4, "selectivity": 0.0, "admet": 7.94, "novelty": 6.69, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 6.2, "fraction": 0.889}, "binding": {"pIC50": 6.6, "LE": 0.292, "potency_term": 0.534, "efficiency_cap": 0.973}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.841, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.767, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 5.07}}, "run": {"gpu": "3", "pAct_q10": 6.2002705521260175, "aff_pf": -0.6033488512039185, "aff_hs": -0.684483140707016, "repeats_pf": {"runs": 3, "values": [-0.5748, -0.6053, -0.6299], "mean": -0.6033, "spread": 0.0551}, "repeats_hs": {"runs": 3, "values": [-0.715, -0.4949, -0.8436], "mean": -0.6845, "spread": 0.3487}, "at": 1787706897}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705676, "scored_at": 1787706897, "alerts": [], "rank": 1654}, {"candidate_id": "ODC-5D19B8", "res_at": 1787126555, "skeleton": "OAWPFMDVLXICKN", "hf_user": "takutoyo", "display_name": "PfD7-B5", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 52.873, "axes": {"activity": 17.76, "binding": 13.83, "selectivity": 9.55, "admet": 4.48, "novelty": 4.71, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 7.07, "LE": 0.388, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.0, "selectivity_term": 0.69, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.573, "ld50-zhu": 0.428, "herg": 0.591, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.66556281056132, "aff_pf": -1.0744893550872803, "aff_hs": 0.30610840519269306, "repeats_pf": {"runs": 3, "values": [-1.0465, -1.094, -1.083], "mean": -1.0745, "spread": 0.0475}, "repeats_hs": {"runs": 3, "values": [0.2733, 0.2568, 0.3883], "mean": 0.3061, "spread": 0.1315}, "at": 1787126555}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108254, "scored_at": 1787126555, "alerts": [], "rank": 1655}, {"candidate_id": "ODC-92F3A4", "res_at": 1786840228, "skeleton": "CMXXZHBTHINIJY", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.862, "axes": {"activity": 13.35, "binding": 17.01, "selectivity": 11.55, "admet": 5.58, "novelty": 1.29, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 7.55, "LE": 0.45, "potency_term": 0.85, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.8, "selectivity_term": 0.679, "target_engagement": 0.85}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.079, "ld50-zhu": 0.335, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.848, "novelty": 0.152}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "1", "pAct_q10": 5.400719128570437, "aff_pf": -1.5509860912958782, "aff_hs": -0.19242371122042337, "repeats_pf": {"runs": 3, "values": [-1.5711, -1.5707, -1.5111], "mean": -1.551, "spread": 0.06}, "repeats_hs": {"runs": 3, "values": [-0.26, -0.1672, -0.1501], "mean": -0.1924, "spread": 0.11}, "at": 1786840228}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805288, "scored_at": 1786840228, "alerts": [], "rank": 1656}, {"candidate_id": "ODC-52CC4F", "res_at": 1788265971, "skeleton": "MHMANMOZVBWWDN", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-14]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.857, "axes": {"activity": 23.59, "binding": 9.7, "selectivity": 5.79, "admet": 6.29, "novelty": 3.86, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.015, "fraction": 0.786}, "binding": {"pIC50": 6.45, "LE": 0.384, "potency_term": 0.485, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.649, "cyp3a4-substrate-carbonmangels": 0.42, "ld50-zhu": 0.284, "herg": 0.914, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 6.015451498452338, "aff_pf": -0.4549929698308309, "aff_hs": 0.7388812303543091, "repeats_pf": {"runs": 3, "values": [-0.4315, -0.4841, -0.4494], "mean": -0.455, "spread": 0.0526}, "repeats_hs": {"runs": 3, "values": [0.5788, 0.8738, 0.764], "mean": 0.7389, "spread": 0.295}, "at": 1788265971}, "tier": 1, "alerts": [], "total_sd": 0.422, "total_ci95": [52.026, 53.792], "relegate_reason": [], "submitted_at": 1788243490, "scored_at": 1788265971, "rank": 1657}, {"candidate_id": "ODC-BD3135", "res_at": 1787522441, "skeleton": "CKUORAAMZJRENN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 52.853, "axes": {"activity": 15.24, "binding": 15.84, "selectivity": 8.27, "admet": 5.24, "novelty": 5.2, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.515, "fraction": 0.508}, "binding": {"pIC50": 7.38, "LE": 0.404, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.522, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.456, "herg": 0.416, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.514554930757297, "aff_pf": -1.3759989738464355, "aff_hs": -0.33201658725738525, "repeats_pf": {"runs": 3, "values": [-1.4106, -1.3588, -1.3586], "mean": -1.376, "spread": 0.0519}, "repeats_hs": {"runs": 3, "values": [-0.41, -0.2349, -0.3511], "mean": -0.332, "spread": 0.1752}, "at": 1787522441}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520523, "scored_at": 1787522441, "alerts": [], "rank": 1658}, {"candidate_id": "ODC-3CCA7C", "res_at": 1788225312, "skeleton": "WQIIPVRSNGUZSM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R154-R05", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 52.853, "axes": {"activity": 19.58, "binding": 11.89, "selectivity": 11.7, "admet": 3.18, "novelty": 3.89, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.775, "fraction": 0.653}, "binding": {"pIC50": 7.09, "LE": 0.256, "potency_term": 0.697, "efficiency_cap": 0.852}, "selectivity": {"fold": 47.6, "selectivity_term": 0.839, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.475, "hia-hou": 1.0, "bioavailability-ma": 0.985, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.29, "dili": 0.107}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.77491345032047, "aff_pf": -1.092397411664327, "aff_hs": 0.5850880146026611, "repeats_pf": {"runs": 3, "values": [-1.1699, -1.0226, -1.0847], "mean": -1.0924, "spread": 0.1473}, "repeats_hs": {"runs": 3, "values": [0.6583, 0.5413, 0.5557], "mean": 0.5851, "spread": 0.117}, "at": 1788225312}, "tier": 1, "alerts": [], "total_sd": 0.723, "total_ci95": [51.619, 54.422], "relegate_reason": [], "submitted_at": 1788165697, "scored_at": 1788225312, "rank": 1659}, {"candidate_id": "ODC-F0F3C9", "res_at": 1786986420, "skeleton": "BQEZLYWPFZGHIH", "hf_user": "1Dmeds", "display_name": "ODC26-R7-29", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.849, "axes": {"activity": 13.65, "binding": 14.52, "selectivity": 12.29, "admet": 4.84, "novelty": 4.38, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.18, "LE": 0.428, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.3, "selectivity_term": 0.846, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 0.503, "ld50-zhu": 0.424, "herg": 0.726, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.418808238792649, "aff_pf": -1.1773873964945476, "aff_hs": 0.5153054197629293, "repeats_pf": {"runs": 3, "values": [-1.1848, -1.1586, -1.1887], "mean": -1.1774, "spread": 0.0301}, "repeats_hs": {"runs": 3, "values": [0.4308, 0.5476, 0.5675], "mean": 0.5153, "spread": 0.1367}, "at": 1786986420}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980508, "scored_at": 1786986420, "alerts": [], "rank": 1660}, {"candidate_id": "ODC-C2B90D", "res_at": 1788150408, "skeleton": "BHZSGBLOKJNASW", "hf_user": "Bio-JS", "display_name": "M3 C2 곁사슬 S-CH2CN", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.841, "axes": {"activity": 13.01, "binding": 14.89, "selectivity": 12.91, "admet": 4.72, "novelty": 3.91, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.38, "fraction": 0.434}, "binding": {"pIC50": 7.23, "LE": 0.431, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.2, "selectivity_term": 0.867, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.409, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.380443651082158, "aff_pf": -1.2332462867101033, "aff_hs": 0.5007597406705221, "repeats_pf": {"runs": 3, "values": [-1.2046, -1.1946, -1.3005], "mean": -1.2332, "spread": 0.1059}, "repeats_hs": {"runs": 3, "values": [0.6073, 0.3616, 0.5334], "mean": 0.5008, "spread": 0.2457}, "at": 1788150408}, "tier": 1, "alerts": [], "total_sd": 0.834, "total_ci95": [51.27, 54.543], "relegate_reason": [], "submitted_at": 1788139386, "scored_at": 1788150408, "rank": 1661}, {"candidate_id": "ODC-A41D7B", "res_at": 1786895730, "skeleton": "ALDNFBCBKJPHME", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.835, "axes": {"activity": 13.17, "binding": 15.86, "selectivity": 12.09, "admet": 5.29, "novelty": 2.92, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 7.38, "LE": 0.389, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.4, "selectivity_term": 0.762, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.42, "herg": 0.246, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.390343606538218, "aff_pf": -1.378909667332967, "aff_hs": 0.14524316291014353, "repeats_pf": {"runs": 3, "values": [-1.3885, -1.3715, -1.3767], "mean": -1.3789, "spread": 0.017}, "repeats_hs": {"runs": 3, "values": [0.1686, 0.0433, 0.2239], "mean": 0.1452, "spread": 0.1806}, "at": 1786895730}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890248, "scored_at": 1786895730, "alerts": [], "rank": 1662}, {"candidate_id": "ODC-8197E2", "res_at": 1789921278, "skeleton": "NAPJXRLCVWHISP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.835, "axes": {"activity": 17.49, "binding": 17.01, "selectivity": 5.6, "admet": 5.11, "novelty": 4.25, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.649, "fraction": 0.583}, "binding": {"pIC50": 7.55, "LE": 0.383, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.329, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.974, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.401, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.649376276953955, "aff_pf": -1.5517397324244182, "aff_hs": -0.893914540608724, "repeats_pf": {"runs": 3, "values": [-1.5598, -1.5561, -1.5393], "mean": -1.5517, "spread": 0.0205}, "repeats_hs": {"runs": 3, "values": [-0.8859, -0.9925, -0.8034], "mean": -0.8939, "spread": 0.1891}, "at": 1789921278}, "tier": 1, "alerts": [], "total_sd": 0.412, "total_ci95": [51.997, 53.553], "relegate_reason": [], "submitted_at": 1789758088, "scored_at": 1789921278, "rank": 1663}, {"candidate_id": "ODC-81E60D", "res_at": 1789376613, "skeleton": "KYEJXLBRTCLIES", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.821, "axes": {"activity": 15.38, "binding": 13.93, "selectivity": 11.81, "admet": 4.79, "novelty": 3.81, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.523, "fraction": 0.513}, "binding": {"pIC50": 7.09, "LE": 0.374, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.6, "selectivity_term": 0.848, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.588, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.676, "cyp3a4-substrate-carbonmangels": 0.182, "ld50-zhu": 0.399, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.522606947735142, "aff_pf": -1.0896894534428914, "aff_hs": 0.6058531999588013, "repeats_pf": {"runs": 3, "values": [-1.139, -1.1184, -1.0117], "mean": -1.0897, "spread": 0.1273}, "repeats_hs": {"runs": 3, "values": [0.6572, 0.6248, 0.5356], "mean": 0.6059, "spread": 0.1217}, "at": 1789376613}, "tier": 1, "alerts": [], "total_sd": 0.866, "total_ci95": [50.9, 54.191], "relegate_reason": [], "submitted_at": 1789365330, "scored_at": 1789376613, "rank": 1664}, {"candidate_id": "ODC-635532", "res_at": 1786866836, "skeleton": "ILOUNPRZEZVEHA", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.819, "axes": {"activity": 14.32, "binding": 14.52, "selectivity": 12.06, "admet": 4.97, "novelty": 3.95, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 7.18, "LE": 0.41, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.8, "selectivity_term": 0.83, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.872, "ld50-zhu": 0.438, "herg": 0.454, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.459193542780819, "aff_pf": -1.1784021457036336, "aff_hs": 0.48240841428438824, "repeats_pf": {"runs": 3, "values": [-1.1972, -1.1549, -1.1831], "mean": -1.1784, "spread": 0.0422}, "repeats_hs": {"runs": 3, "values": [0.6201, 0.402, 0.4251], "mean": 0.4824, "spread": 0.2181}, "at": 1786866836}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857227, "scored_at": 1786866836, "alerts": [], "rank": 1665}, {"candidate_id": "ODC-1E0E42", "res_at": 1787200701, "skeleton": "PDEXSSQLZWRIPB", "hf_user": "Ku-ku", "display_name": "K5_an4SF5", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.818, "axes": {"activity": 18.81, "binding": 14.9, "selectivity": 7.95, "admet": 5.61, "novelty": 2.76, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.728, "fraction": 0.627}, "binding": {"pIC50": 7.24, "LE": 0.367, "potency_term": 0.745, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.533, "target_engagement": 0.745}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.39, "cyp3a4-substrate-carbonmangels": 0.85, "ld50-zhu": 0.704, "herg": 0.053, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.63, "novelty": 0.37}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 5.728417678498863, "aff_pf": -1.2354925870895386, "aff_hs": -0.16875009735425314, "repeats_pf": {"runs": 3, "values": [-1.2593, -1.2123, -1.2348], "mean": -1.2355, "spread": 0.047}, "repeats_hs": {"runs": 3, "values": [-0.5182, 0.0597, -0.0478], "mean": -0.1688, "spread": 0.5779}, "at": 1787200701}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195734, "scored_at": 1787200701, "alerts": [], "rank": 1666}, {"candidate_id": "ODC-279F61", "res_at": 1787152448, "skeleton": "UWORGSRIIXYNPD", "hf_user": "Ku-ku", "display_name": "M06_5F_SCHF2_Cl3F", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 52.794, "axes": {"activity": 20.75, "binding": 13.98, "selectivity": 5.66, "admet": 5.32, "novelty": 4.03, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.845, "fraction": 0.692}, "binding": {"pIC50": 7.1, "LE": 0.423, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.405, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.379, "ld50-zhu": 0.322, "herg": 0.905, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.844984648995472, "aff_pf": -1.0971037149429321, "aff_hs": -0.28683311740557355, "repeats_pf": {"runs": 3, "values": [-1.0834, -1.1237, -1.0842], "mean": -1.0971, "spread": 0.0403}, "repeats_hs": {"runs": 3, "values": [-0.3274, -0.3294, -0.2037], "mean": -0.2868, "spread": 0.1258}, "at": 1787152448}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148020, "scored_at": 1787152448, "alerts": [], "rank": 1667}, {"candidate_id": "ODC-3490CA", "res_at": 1786850678, "skeleton": "YDFWAFCQDBTFIX", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.768, "axes": {"activity": 13.7, "binding": 16.09, "selectivity": 10.86, "admet": 4.78, "novelty": 4.02, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 7.41, "LE": 0.406, "potency_term": 0.804, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.493, "herg": 0.214, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.4218162157654275, "aff_pf": -1.413497765858968, "aff_hs": -0.06416155894597371, "repeats_pf": {"runs": 3, "values": [-1.4264, -1.4067, -1.4074], "mean": -1.4135, "spread": 0.0197}, "repeats_hs": {"runs": 3, "values": [-0.0561, -0.0704, -0.066], "mean": -0.0642, "spread": 0.0143}, "at": 1786850678}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847163, "scored_at": 1786850678, "alerts": [], "rank": 1668}, {"candidate_id": "ODC-1999ED", "res_at": 1787871602, "skeleton": "RODPLVOOGSHYPQ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)(F)F", "total": 52.764, "axes": {"activity": 17.81, "binding": 17.05, "selectivity": 4.94, "admet": 4.83, "novelty": 4.4, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.669, "fraction": 0.594}, "binding": {"pIC50": 7.56, "LE": 0.398, "potency_term": 0.853, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.551, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.6685010455884965, "aff_pf": -1.5581779877344768, "aff_hs": -0.9793546597162882, "repeats_pf": {"runs": 3, "values": [-1.4927, -1.5819, -1.5999], "mean": -1.5582, "spread": 0.1072}, "repeats_hs": {"runs": 3, "values": [-1.1558, -1.038, -0.7443], "mean": -0.9794, "spread": 0.4116}, "at": 1787862486}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806907, "scored_at": 1787862486, "alerts": [], "rank": 1669}, {"candidate_id": "ODC-42AAC9", "res_at": 1789960449, "skeleton": "AICUGXYGEICVMF", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.752, "axes": {"activity": 16.44, "binding": 15.55, "selectivity": 7.03, "admet": 6.24, "novelty": 4.21, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 7.33, "LE": 0.402, "potency_term": 0.777, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.488, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.604, "herg": 0.627, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.586225223761587, "aff_pf": -1.3318737347920735, "aff_hs": -0.4276434580485026, "repeats_pf": {"runs": 3, "values": [-1.2704, -1.356, -1.3692], "mean": -1.3319, "spread": 0.0988}, "repeats_hs": {"runs": 3, "values": [-0.3401, -0.4756, -0.4672], "mean": -0.4276, "spread": 0.1355}, "at": 1789960449}, "tier": 1, "alerts": [], "total_sd": 0.657, "total_ci95": [51.351, 53.963], "relegate_reason": [], "submitted_at": 1789876183, "scored_at": 1789960449, "rank": 1670}, {"candidate_id": "ODC-19822D", "res_at": 1788493360, "skeleton": "NFNHGBLCTUHDHS", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.75, "axes": {"activity": 12.81, "binding": 15.34, "selectivity": 13.14, "admet": 5.11, "novelty": 2.83, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.369, "fraction": 0.427}, "binding": {"pIC50": 7.3, "LE": 0.385, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.6, "selectivity_term": 0.856, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.484, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.632, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.368898794161543, "aff_pf": -1.3017114798227947, "aff_hs": 0.41122865676879883, "repeats_pf": {"runs": 3, "values": [-1.3307, -1.2539, -1.3206], "mean": -1.3017, "spread": 0.0768}, "repeats_hs": {"runs": 3, "values": [0.4583, 0.4258, 0.3496], "mean": 0.4112, "spread": 0.1086}, "at": 1788493360}, "tier": 1, "alerts": [], "total_sd": 0.55, "total_ci95": [51.479, 53.59], "relegate_reason": [], "submitted_at": 1788433924, "scored_at": 1788493360, "rank": 1671}, {"candidate_id": "ODC-13B063", "res_at": 1788586336, "skeleton": "NGDVXQYLYCDBQM", "hf_user": "Bio-JS", "display_name": "0905-S1-29 MeCF2/CN/CHF2/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 52.741, "axes": {"activity": 16.05, "binding": 14.24, "selectivity": 11.69, "admet": 4.58, "novelty": 3.34, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.563, "fraction": 0.535}, "binding": {"pIC50": 7.14, "LE": 0.376, "potency_term": 0.712, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.9, "selectivity_term": 0.821, "target_engagement": 0.712}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.623, "cyp3a4-substrate-carbonmangels": 0.092, "ld50-zhu": 0.331, "herg": 0.448, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.531, "novelty": 0.469}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.5630284927817275, "aff_pf": -1.1354700724283855, "aff_hs": 0.5074717799822489, "repeats_pf": {"runs": 3, "values": [-1.0939, -1.1091, -1.2034], "mean": -1.1355, "spread": 0.1095}, "repeats_hs": {"runs": 3, "values": [0.513, 0.5332, 0.4762], "mean": 0.5075, "spread": 0.057}, "at": 1788586336}, "tier": 1, "alerts": [], "total_sd": 0.703, "total_ci95": [51.726, 54.358], "relegate_reason": [], "submitted_at": 1788560512, "scored_at": 1788586336, "rank": 1672}, {"candidate_id": "ODC-5768E7", "res_at": 1786914308, "skeleton": "HPKPBTXWUBZGLA", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-9th", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.727, "axes": {"activity": 11.66, "binding": 15.11, "selectivity": 12.29, "admet": 6.4, "novelty": 4.28, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.3, "selectivity_term": 0.813, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.541, "cyp3a4-substrate-carbonmangels": 0.305, "ld50-zhu": 0.677, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.299740658082995, "aff_pf": -1.2669585943222046, "aff_hs": 0.3595995306968689, "repeats_pf": {"runs": 3, "values": [-1.2757, -1.2167, -1.3085], "mean": -1.267, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [0.3384, 0.418, 0.3225], "mean": 0.3596, "spread": 0.0955}, "at": 1786914308}, "tier": 1, "relegate_reason": [], "submitted_at": 1786914119, "scored_at": 1786914308, "alerts": [], "rank": 1673}, {"candidate_id": "ODC-25E245", "res_at": 1787489835, "skeleton": "SFUNPSZBUNEPMV", "hf_user": "Ku-ku", "display_name": "KK-M-0823-55", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········1CCC2", "total": 52.714, "axes": {"activity": 24.69, "binding": 11.35, "selectivity": 2.61, "admet": 5.23, "novelty": 5.53, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.081, "fraction": 0.823}, "binding": {"pIC50": 6.7, "LE": 0.353, "potency_term": 0.567, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.548, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.081183356806557, "aff_pf": -0.7024731437365214, "aff_hs": -0.24202536046504974, "repeats_pf": {"runs": 3, "values": [-0.6771, -0.6852, -0.7451], "mean": -0.7025, "spread": 0.0679}, "repeats_hs": {"runs": 3, "values": [-0.2356, -0.2122, -0.2782], "mean": -0.242, "spread": 0.066}, "at": 1787489835}, "tier": 1, "relegate_reason": [], "submitted_at": 1787488804, "scored_at": 1787489835, "alerts": [], "rank": 1674}, {"candidate_id": "ODC-C8C2C4", "res_at": 1789373872, "skeleton": "CZGZXDSGJBGQEF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.696, "axes": {"activity": 13.61, "binding": 17.37, "selectivity": 8.07, "admet": 5.43, "novelty": 4.56, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 7.61, "LE": 0.417, "potency_term": 0.868, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.868}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.67, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.491, "herg": 0.091, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.4166612969254055, "aff_pf": -1.6052871147791545, "aff_hs": -0.6765344937642416, "repeats_pf": {"runs": 3, "values": [-1.5853, -1.6136, -1.6169], "mean": -1.6053, "spread": 0.0316}, "repeats_hs": {"runs": 3, "values": [-0.6231, -0.7042, -0.7024], "mean": -0.6765, "spread": 0.0811}, "at": 1789373872}, "tier": 1, "alerts": [], "total_sd": 0.293, "total_ci95": [52.001, 53.185], "relegate_reason": [], "submitted_at": 1789365052, "scored_at": 1789373872, "rank": 1675}, {"candidate_id": "ODC-96F477", "res_at": 1786874326, "skeleton": "CDSAASXEOXPQSC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.691, "axes": {"activity": 16.65, "binding": 14.88, "selectivity": 8.45, "admet": 5.84, "novelty": 3.79, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 7.23, "LE": 0.45, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.6, "selectivity_term": 0.568, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.333, "cyp3a4-substrate-carbonmangels": 0.967, "ld50-zhu": 0.508, "herg": 0.697, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.59918759630351, "aff_pf": -1.2320507764816284, "aff_hs": -0.09699436525503795, "repeats_pf": {"runs": 3, "values": [-1.23, -1.294, -1.1722], "mean": -1.2321, "spread": 0.1218}, "repeats_hs": {"runs": 3, "values": [-0.1249, -0.1737, 0.0077], "mean": -0.097, "spread": 0.1814}, "at": 1786874326}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866718, "scored_at": 1786874326, "alerts": [], "rank": 1676}, {"candidate_id": "ODC-C03DA6", "res_at": 1787507862, "skeleton": "KIBMMRKDDKFVTI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-APX02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 52.688, "axes": {"activity": 22.11, "binding": 13.36, "selectivity": 5.88, "admet": 4.7, "novelty": 3.56, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.927, "fraction": 0.737}, "binding": {"pIC50": 7.0, "LE": 0.343, "potency_term": 0.668, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.703, "ld50-zhu": 0.585, "herg": 0.058, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.926822904299413, "aff_pf": -1.0034908850987752, "aff_hs": -0.12292834122975667, "repeats_pf": {"runs": 3, "values": [-0.997, -1.0341, -0.9793], "mean": -1.0035, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [0.1811, -0.284, -0.2659], "mean": -0.1229, "spread": 0.4651}, "at": 1787507862}, "tier": 1, "relegate_reason": [], "submitted_at": 1787507493, "scored_at": 1787507862, "alerts": [], "rank": 1677}, {"candidate_id": "ODC-DE8394", "res_at": 1790024800, "skeleton": "NUOLHIJKNIJXCN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 52.682, "axes": {"activity": 12.38, "binding": 16.9, "selectivity": 10.47, "admet": 4.99, "novelty": 4.63, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.103, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.479, "herg": 0.671, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.343019731920734, "aff_pf": -1.5352256695429485, "aff_hs": -0.296861598889033, "repeats_pf": {"runs": 3, "values": [-1.547, -1.5401, -1.5185], "mean": -1.5352, "spread": 0.0285}, "repeats_hs": {"runs": 3, "values": [-0.3058, -0.293, -0.2918], "mean": -0.2969, "spread": 0.014}, "at": 1790024800}, "tier": 1, "alerts": [], "total_sd": 0.173, "total_ci95": [52.279, 52.966], "relegate_reason": [], "submitted_at": 1790009071, "scored_at": 1790024800, "rank": 1678}, {"candidate_id": "ODC-1317E5", "res_at": 1787886928, "skeleton": "KBKDUISCDKPAFJ", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L19", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC1CCc··········)cc21", "total": 52.67, "axes": {"activity": 25.45, "binding": 14.4, "selectivity": 0.67, "admet": 3.67, "novelty": 5.65, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 6.127, "fraction": 0.848}, "binding": {"pIC50": 7.16, "LE": 0.363, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.786, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "0", "pAct_q10": 6.1267944054698615, "aff_pf": -1.1592888832092285, "aff_hs": -1.0663726329803467, "repeats_pf": {"runs": 3, "values": [-1.1657, -1.1756, -1.1365], "mean": -1.1593, "spread": 0.0391}, "repeats_hs": {"runs": 3, "values": [-0.7732, -1.2585, -1.1675], "mean": -1.0664, "spread": 0.4853}, "at": 1787886928}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822371, "scored_at": 1787886928, "alerts": [], "rank": 1679}, {"candidate_id": "ODC-137ACA", "res_at": 1788058482, "skeleton": "VAVIIIWHDSGUOV", "hf_user": "Bio-JS", "display_name": "04 A2 오쏘 2-CN", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 52.669, "axes": {"activity": 15.53, "binding": 12.85, "selectivity": 14.5, "admet": 2.75, "novelty": 4.62, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 7.18, "LE": 0.266, "potency_term": 0.725, "efficiency_cap": 0.886}, "selectivity": {"fold": 121.2, "selectivity_term": 1.0, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.558, "herg": 0.05, "dili": 0.27}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.531893079220241, "aff_pf": -1.1756080786387126, "aff_hs": 0.9078273375829061, "repeats_pf": {"runs": 3, "values": [-1.2187, -1.1826, -1.1256], "mean": -1.1756, "spread": 0.0931}, "repeats_hs": {"runs": 3, "values": [0.9413, 0.9102, 0.872], "mean": 0.9078, "spread": 0.0693}, "at": 1788058482}, "tier": 1, "alerts": [], "total_sd": 0.445, "total_ci95": [51.661, 53.543], "relegate_reason": [], "submitted_at": 1788017298, "scored_at": 1788058482, "rank": 1680}, {"candidate_id": "ODC-00CA7E", "res_at": 1787523612, "skeleton": "RXHHIEFTPKHHCN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 52.668, "axes": {"activity": 16.87, "binding": 15.12, "selectivity": 7.37, "admet": 5.4, "novelty": 4.89, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.612, "fraction": 0.562}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.487, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.728, "ld50-zhu": 0.479, "herg": 0.493, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.612370862543349, "aff_pf": -1.2686870098114014, "aff_hs": -0.29462921619415283, "repeats_pf": {"runs": 3, "values": [-1.261, -1.2532, -1.2919], "mean": -1.2687, "spread": 0.0387}, "repeats_hs": {"runs": 3, "values": [-0.2552, -0.3753, -0.2534], "mean": -0.2946, "spread": 0.1219}, "at": 1787523612}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520619, "scored_at": 1787523612, "alerts": [], "rank": 1681}, {"candidate_id": "ODC-F90CE1", "res_at": 1786898637, "skeleton": "RJBLGEBEFSQOOT", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.66, "axes": {"activity": 12.12, "binding": 15.83, "selectivity": 13.51, "admet": 4.97, "novelty": 3.41, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 7.37, "LE": 0.404, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.9, "selectivity_term": 0.853, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.578, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.08, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.407}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.327024274350499, "aff_pf": -1.3741765817006428, "aff_hs": 0.33244887987772626, "repeats_pf": {"runs": 3, "values": [-1.3793, -1.3804, -1.3629], "mean": -1.3742, "spread": 0.0174}, "repeats_hs": {"runs": 3, "values": [0.2115, 0.4461, 0.3398], "mean": 0.3324, "spread": 0.2347}, "at": 1786898637}, "tier": 1, "relegate_reason": [], "submitted_at": 1786885019, "scored_at": 1786898637, "alerts": [], "rank": 1682}, {"candidate_id": "ODC-D41D31", "res_at": 1787222091, "skeleton": "BIMNJPSAAHGPOY", "hf_user": "takutoyo", "display_name": "PfD9-B4", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[Se]c··········)n2n1", "total": 52.655, "axes": {"activity": 11.34, "binding": 16.67, "selectivity": 8.68, "admet": 8.29, "novelty": 4.43, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.281, "fraction": 0.378}, "binding": {"pIC50": 7.5, "LE": 0.467, "potency_term": 0.833, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.521, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.663, "per_endpoint": {"solubility-aqsoldb": 0.612, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.854, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.339, "herg": 0.595, "dili": 0.156}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.2806588243348385, "aff_pf": -1.4997647205988567, "aff_hs": -0.457648237546285, "repeats_pf": {"runs": 3, "values": [-1.5656, -1.466, -1.4677], "mean": -1.4998, "spread": 0.0997}, "repeats_hs": {"runs": 3, "values": [-0.451, -0.4554, -0.4665], "mean": -0.4576, "spread": 0.0155}, "at": 1787222091}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787218682, "scored_at": 1787222091, "rank": 1683}, {"candidate_id": "ODC-F7FDD1", "res_at": 1786928833, "skeleton": "PIROYDZZLLOTGP", "hf_user": "choa712", "display_name": "LUCY-G02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.649, "axes": {"activity": 19.54, "binding": 15.4, "selectivity": 6.01, "admet": 4.51, "novelty": 3.91, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.772, "fraction": 0.651}, "binding": {"pIC50": 7.31, "LE": 0.371, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.516, "ld50-zhu": 0.669, "herg": 0.067, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.772345368146489, "aff_pf": -1.3104015588760376, "aff_hs": -0.5299313962459564, "repeats_pf": {"runs": 3, "values": [-1.3644, -1.3129, -1.2539], "mean": -1.3104, "spread": 0.1106}, "repeats_hs": {"runs": 3, "values": [-0.4221, -0.4996, -0.6681], "mean": -0.5299, "spread": 0.246}, "at": 1786928833}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923668, "scored_at": 1786928833, "alerts": [], "rank": 1684}, {"candidate_id": "ODC-E79CCE", "res_at": 1787908599, "skeleton": "FHWWEEOOPXTKPL", "hf_user": "Bio-JS", "display_name": "E1 메타-F x 옥세탄/에타이닐/설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)COC1", "total": 52.61, "axes": {"activity": 19.07, "binding": 15.28, "selectivity": 6.95, "admet": 3.1, "novelty": 5.38, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.636}, "binding": {"pIC50": 7.48, "LE": 0.277, "potency_term": 0.827, "efficiency_cap": 0.923}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.827}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.744425991521377, "aff_pf": -1.4818655649820964, "aff_hs": -0.6418083906173706, "repeats_pf": {"runs": 3, "values": [-1.4697, -1.5292, -1.4467], "mean": -1.4819, "spread": 0.0825}, "repeats_hs": {"runs": 3, "values": [-0.7137, -0.7107, -0.501], "mean": -0.6418, "spread": 0.2127}, "at": 1787908599}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897041, "scored_at": 1787908599, "alerts": [], "rank": 1685}, {"candidate_id": "ODC-E592D8", "res_at": 1789441511, "skeleton": "HVQVRJSWLQPHKM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 52.575, "axes": {"activity": 14.17, "binding": 15.09, "selectivity": 10.76, "admet": 4.79, "novelty": 4.66, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 7.26, "LE": 0.383, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.7, "selectivity_term": 0.713, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.642, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.517, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.45006375028894, "aff_pf": -1.2642476956049602, "aff_hs": 0.16152375439802805, "repeats_pf": {"runs": 3, "values": [-1.2846, -1.28, -1.2281], "mean": -1.2642, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [0.1587, 0.2142, 0.1117], "mean": 0.1615, "spread": 0.1025}, "at": 1789441511}, "tier": 1, "alerts": [], "total_sd": 0.384, "total_ci95": [51.779, 53.26], "relegate_reason": [], "submitted_at": 1789436017, "scored_at": 1789441511, "rank": 1686}, {"candidate_id": "ODC-0ACF1E", "res_at": 1787014266, "skeleton": "QYGSUJCXCVFPCO", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 52.572, "axes": {"activity": 25.78, "binding": 9.27, "selectivity": 1.89, "admet": 5.98, "novelty": 5.88, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.147, "fraction": 0.859}, "binding": {"pIC50": 6.42, "LE": 0.293, "potency_term": 0.474, "efficiency_cap": 0.978}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.962, "ld50-zhu": 0.524, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 6.146536604669213, "aff_pf": -0.42210057377815247, "aff_hs": -0.023332296560208004, "repeats_pf": {"runs": 3, "values": [-0.5083, -0.3607, -0.3973], "mean": -0.4221, "spread": 0.1476}, "repeats_hs": {"runs": 3, "values": [-0.0857, -0.0361, 0.0518], "mean": -0.0233, "spread": 0.1374}, "at": 1787014266}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013595, "scored_at": 1787014266, "alerts": [], "rank": 1687}, {"candidate_id": "ODC-A5AFC1", "res_at": 1787174296, "skeleton": "CANMMIDZPLBKNQ", "hf_user": "1Dmeds", "display_name": "ODC26-FN-14", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 52.566, "axes": {"activity": 19.79, "binding": 16.1, "selectivity": 2.7, "admet": 5.16, "novelty": 5.29, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.787, "fraction": 0.66}, "binding": {"pIC50": 7.42, "LE": 0.391, "potency_term": 0.805, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.805}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.824, "ld50-zhu": 0.605, "herg": 0.173, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.787429605296161, "aff_pf": -1.415303627649943, "aff_hs": -1.0796476205190022, "repeats_pf": {"runs": 3, "values": [-1.4146, -1.4442, -1.3871], "mean": -1.4153, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [-1.1052, -1.0306, -1.1031], "mean": -1.0796, "spread": 0.0746}, "at": 1787174296}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171724, "scored_at": 1787174296, "alerts": [], "rank": 1688}, {"candidate_id": "ODC-13AEFC", "res_at": 1789530782, "skeleton": "HVYUFUZPVBLJMZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.538, "axes": {"activity": 12.19, "binding": 16.31, "selectivity": 11.55, "admet": 4.62, "novelty": 4.21, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 7.45, "LE": 0.425, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.1, "selectivity_term": 0.708, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.33, "ld50-zhu": 0.519, "herg": 0.114, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.331144352808873, "aff_pf": -1.4463705619176228, "aff_hs": -0.030242988218863804, "repeats_pf": {"runs": 3, "values": [-1.3642, -1.5928, -1.3822], "mean": -1.4464, "spread": 0.2286}, "repeats_hs": {"runs": 3, "values": [0.2022, -0.2678, -0.0252], "mean": -0.0302, "spread": 0.4699}, "at": 1789530782}, "tier": 1, "alerts": [], "total_sd": 1.724, "total_ci95": [49.583, 56.235], "relegate_reason": [], "submitted_at": 1789524830, "scored_at": 1789530782, "rank": 1689}, {"candidate_id": "ODC-C646B2", "res_at": 1787713815, "skeleton": "DZYLLYMMMVBNDW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 52.537, "axes": {"activity": 26.68, "binding": 10.46, "selectivity": 0.0, "admet": 7.36, "novelty": 6.87, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 6.201, "fraction": 0.889}, "binding": {"pIC50": 6.65, "LE": 0.285, "potency_term": 0.551, "efficiency_cap": 0.949}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.624, "cyp2c9-veith": 0.995, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.857, "herg": 0.05, "dili": 0.644}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 5.08}}, "run": {"gpu": "3", "pAct_q10": 6.200830433379816, "aff_pf": -0.6527078151702881, "aff_hs": -0.7152134776115417, "repeats_pf": {"runs": 3, "values": [-0.7536, -0.7101, -0.4944], "mean": -0.6527, "spread": 0.2592}, "repeats_hs": {"runs": 3, "values": [-0.8338, -0.6997, -0.6121], "mean": -0.7152, "spread": 0.2217}, "at": 1787713815}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712188, "scored_at": 1787713815, "alerts": [], "rank": 1690}, {"candidate_id": "ODC-59DB67", "res_at": 1786971160, "skeleton": "KLMAQENUZGRGRE", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.523, "axes": {"activity": 14.45, "binding": 15.88, "selectivity": 10.46, "admet": 5.56, "novelty": 2.2, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.38, "LE": 0.44, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.8, "selectivity_term": 0.659, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 0.195, "ld50-zhu": 0.383, "herg": 0.293, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.467206705403172, "aff_pf": -1.3819681803385417, "aff_hs": -0.06443438989420731, "repeats_pf": {"runs": 3, "values": [-1.3708, -1.41, -1.365], "mean": -1.382, "spread": 0.045}, "repeats_hs": {"runs": 3, "values": [-0.0576, -0.0264, -0.1093], "mean": -0.0644, "spread": 0.0828}, "at": 1786971160}, "tier": 1, "relegate_reason": [], "submitted_at": 1786970412, "scored_at": 1786971160, "alerts": [], "rank": 1691}, {"candidate_id": "ODC-3B98CD", "res_at": 1787408750, "skeleton": "UHMIHELKPKMXAW", "hf_user": "takutoyo", "display_name": "PfD13-11", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 52.517, "axes": {"activity": 26.49, "binding": 11.85, "selectivity": 2.21, "admet": 3.2, "novelty": 6.13, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 6.189, "fraction": 0.883}, "binding": {"pIC50": 7.04, "LE": 0.261, "potency_term": 0.681, "efficiency_cap": 0.869}, "selectivity": {"fold": 2.1, "selectivity_term": 0.162, "target_engagement": 0.681}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.34, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.804, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.91}}, "run": {"gpu": "3", "pAct_q10": 6.1894573272781255, "aff_pf": -1.0438960393269856, "aff_hs": -0.7193556626637777, "repeats_pf": {"runs": 3, "values": [-1.1499, -0.961, -1.0207], "mean": -1.0439, "spread": 0.1889}, "repeats_hs": {"runs": 3, "values": [-0.7473, -0.6942, -0.7165], "mean": -0.7194, "spread": 0.0531}, "at": 1787408750}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406744, "scored_at": 1787408750, "alerts": [], "rank": 1692}, {"candidate_id": "ODC-7E1CD7", "res_at": 1787496112, "skeleton": "ZMXYPFTWRCNWBK", "hf_user": "takutoyo", "display_name": "PfD15-23", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········Cl)n1", "total": 52.508, "axes": {"activity": 23.7, "binding": 15.18, "selectivity": 4.08, "admet": 2.56, "novelty": 4.01, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 6.022, "fraction": 0.79}, "binding": {"pIC50": 7.32, "LE": 0.295, "potency_term": 0.772, "efficiency_cap": 0.983}, "selectivity": {"fold": 3.4, "selectivity_term": 0.264, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.216, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.021700354983835, "aff_pf": -1.3173149426778157, "aff_hs": -0.7896621227264404, "repeats_pf": {"runs": 3, "values": [-1.3883, -1.247, -1.3166], "mean": -1.3173, "spread": 0.1413}, "repeats_hs": {"runs": 3, "values": [-0.9121, -0.7497, -0.7072], "mean": -0.7897, "spread": 0.2048}, "at": 1787496112}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491739, "scored_at": 1787496112, "alerts": [], "rank": 1693}, {"candidate_id": "ODC-61658C", "res_at": 1789265037, "skeleton": "NSMQPTGERNMIRQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.506, "axes": {"activity": 13.65, "binding": 15.45, "selectivity": 12.11, "admet": 4.05, "novelty": 3.98, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.32, "LE": 0.386, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.9, "selectivity_term": 0.784, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.42, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.561, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.4187188015719645, "aff_pf": -1.318109432856242, "aff_hs": 0.2492240866025289, "repeats_pf": {"runs": 3, "values": [-1.3964, -1.2849, -1.2731], "mean": -1.3181, "spread": 0.1233}, "repeats_hs": {"runs": 3, "values": [-0.0021, 0.3622, 0.3875], "mean": 0.2492, "spread": 0.3896}, "at": 1789265037}, "tier": 1, "alerts": [], "total_sd": 1.157, "total_ci95": [50.52, 54.511], "relegate_reason": [], "submitted_at": 1789263004, "scored_at": 1789265037, "rank": 1694}, {"candidate_id": "ODC-17EC75", "res_at": 1787635246, "skeleton": "RIUVFNPUCOQYAE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)(··········cc1Br", "total": 52.501, "axes": {"activity": 16.04, "binding": 18.75, "selectivity": 3.37, "admet": 5.43, "novelty": 5.14, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 5.563, "fraction": 0.535}, "binding": {"pIC50": 7.81, "LE": 0.428, "potency_term": 0.938, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.179, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.368, "ld50-zhu": 0.48, "herg": 0.223, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.562547124110536, "aff_pf": -1.8128329118092854, "aff_hs": -1.453916867574056, "repeats_pf": {"runs": 3, "values": [-1.8426, -1.8018, -1.7941], "mean": -1.8128, "spread": 0.0485}, "repeats_hs": {"runs": 3, "values": [-1.3868, -1.4958, -1.4791], "mean": -1.4539, "spread": 0.1089}, "at": 1787635246}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633857, "scored_at": 1787635246, "alerts": [], "rank": 1695}, {"candidate_id": "ODC-3B935C", "res_at": 1787558122, "skeleton": "FXDABYUIOOVGLA", "hf_user": "takutoyo", "display_name": "PfD16-07", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 52.491, "axes": {"activity": 25.44, "binding": 10.66, "selectivity": 4.64, "admet": 3.53, "novelty": 4.92, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.126, "fraction": 0.848}, "binding": {"pIC50": 6.72, "LE": 0.279, "potency_term": 0.573, "efficiency_cap": 0.93}, "selectivity": {"fold": 6.4, "selectivity_term": 0.405, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.13, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.758, "ld50-zhu": 0.447, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.126382693455604, "aff_pf": -0.7189383109410604, "aff_hs": 0.09036771208047867, "repeats_pf": {"runs": 3, "values": [-0.6679, -0.7282, -0.7607], "mean": -0.7189, "spread": 0.0928}, "repeats_hs": {"runs": 3, "values": [0.0535, 0.0852, 0.1324], "mean": 0.0904, "spread": 0.0789}, "at": 1787558122}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544074, "scored_at": 1787558122, "alerts": [], "rank": 1696}, {"candidate_id": "ODC-F2B11A", "res_at": 1788497460, "skeleton": "HLXTUFYRMOIQRO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 52.49, "axes": {"activity": 10.43, "binding": 16.21, "selectivity": 12.51, "admet": 6.4, "novelty": 3.57, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.226, "fraction": 0.348}, "binding": {"pIC50": 7.43, "LE": 0.407, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.9, "selectivity_term": 0.772, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.47, "caco2-wang": 0.76, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.34, "herg": 0.806, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.225915604994679, "aff_pf": -1.4315855105717976, "aff_hs": 0.11174083252747853, "repeats_pf": {"runs": 3, "values": [-1.4308, -1.432, -1.432], "mean": -1.4316, "spread": 0.0012}, "repeats_hs": {"runs": 3, "values": [0.0967, 0.1135, 0.125], "mean": 0.1117, "spread": 0.0283}, "at": 1788497460}, "tier": 1, "alerts": [], "total_sd": 0.057, "total_ci95": [52.368, 52.598], "relegate_reason": [], "submitted_at": 1788433967, "scored_at": 1788497460, "rank": 1697}, {"candidate_id": "ODC-B6206D", "res_at": 1789265629, "skeleton": "UVSHCUGGXIEAKG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.486, "axes": {"activity": 12.15, "binding": 16.9, "selectivity": 11.01, "admet": 4.4, "novelty": 3.94, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.211, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.329085629885001, "aff_pf": -1.5351112683614094, "aff_hs": -0.23211482912302017, "repeats_pf": {"runs": 3, "values": [-1.4532, -1.539, -1.6131], "mean": -1.5351, "spread": 0.1598}, "repeats_hs": {"runs": 3, "values": [-0.2912, -0.2843, -0.1208], "mean": -0.2321, "spread": 0.1703}, "at": 1789265629}, "tier": 1, "alerts": [], "total_sd": 0.978, "total_ci95": [50.708, 54.426], "relegate_reason": [], "submitted_at": 1789263133, "scored_at": 1789265629, "rank": 1698}, {"candidate_id": "ODC-8EDE50", "res_at": 1788567811, "skeleton": "SHJLSARBTQZZGX", "hf_user": "1Dmeds", "display_name": "ODC26-S1D22", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 52.466, "axes": {"activity": 20.35, "binding": 12.33, "selectivity": 9.46, "admet": 3.05, "novelty": 4.79, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.821, "fraction": 0.678}, "binding": {"pIC50": 7.15, "LE": 0.258, "potency_term": 0.717, "efficiency_cap": 0.859}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.488, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.624, "herg": 0.1, "dili": 0.159}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.821038596640652, "aff_pf": -1.1513272921244304, "aff_hs": 0.16818004846572876, "repeats_pf": {"runs": 3, "values": [-1.1632, -1.2395, -1.0513], "mean": -1.1513, "spread": 0.1881}, "repeats_hs": {"runs": 3, "values": [0.1953, 0.2216, 0.0876], "mean": 0.1682, "spread": 0.134}, "at": 1788567811}, "tier": 1, "alerts": [], "total_sd": 0.91, "total_ci95": [50.605, 54.175], "relegate_reason": [], "submitted_at": 1788555506, "scored_at": 1788567811, "rank": 1699}, {"candidate_id": "ODC-FD2EE3", "res_at": 1789439059, "skeleton": "JAQGKCPACOWXHF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.46, "axes": {"activity": 11.12, "binding": 18.48, "selectivity": 9.26, "admet": 5.35, "novelty": 4.3, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.267, "fraction": 0.371}, "binding": {"pIC50": 7.77, "LE": 0.444, "potency_term": 0.924, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.501, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.935, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.267146845760269, "aff_pf": -1.771350344022115, "aff_hs": -0.7684699296951294, "repeats_pf": {"runs": 3, "values": [-1.7191, -1.8063, -1.7887], "mean": -1.7714, "spread": 0.0872}, "repeats_hs": {"runs": 3, "values": [-0.7042, -0.98, -0.6212], "mean": -0.7685, "spread": 0.3587}, "at": 1789439059}, "tier": 1, "alerts": [], "total_sd": 1.013, "total_ci95": [50.369, 54.168], "relegate_reason": [], "submitted_at": 1789435704, "scored_at": 1789439059, "rank": 1700}, {"candidate_id": "ODC-AB3B94", "res_at": 1789540165, "skeleton": "PKPFZGDBBZOHNO", "hf_user": "Bio-JS", "display_name": "0916-S1-div01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.46, "axes": {"activity": 15.29, "binding": 13.76, "selectivity": 11.46, "admet": 5.48, "novelty": 3.32, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.51}, "binding": {"pIC50": 7.06, "LE": 0.403, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.4, "selectivity_term": 0.833, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.424, "herg": 0.579, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.517141531968126, "aff_pf": -1.0639628966649373, "aff_hs": 0.6021759907404581, "repeats_pf": {"runs": 3, "values": [-1.1195, -1.0114, -1.0609], "mean": -1.064, "spread": 0.1081}, "repeats_hs": {"runs": 3, "values": [0.5555, 0.5728, 0.6782], "mean": 0.6022, "spread": 0.1228}, "at": 1789540165}, "tier": 1, "alerts": [], "total_sd": 0.717, "total_ci95": [51.122, 53.647], "relegate_reason": [], "submitted_at": 1789526708, "scored_at": 1789540165, "rank": 1701}, {"candidate_id": "ODC-A92F6B", "res_at": 1786958444, "skeleton": "NYXIGSOWBNDUST", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.456, "axes": {"activity": 16.48, "binding": 15.4, "selectivity": 8.2, "admet": 5.09, "novelty": 4.11, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.589, "fraction": 0.549}, "binding": {"pIC50": 7.31, "LE": 0.401, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.533, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.792, "ld50-zhu": 0.75, "herg": 0.132, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.5890055619074985, "aff_pf": -1.3097643454869587, "aff_hs": -0.24467465778191885, "repeats_pf": {"runs": 3, "values": [-1.4414, -1.2073, -1.2807], "mean": -1.3098, "spread": 0.2341}, "repeats_hs": {"runs": 3, "values": [-0.2621, -0.1887, -0.2833], "mean": -0.2447, "spread": 0.0946}, "at": 1786958444}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957434, "scored_at": 1786958444, "alerts": [], "rank": 1702}, {"candidate_id": "ODC-69A6EE", "res_at": 1786844534, "skeleton": "BQALZOSHUHSDQS", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 52.452, "axes": {"activity": 14.63, "binding": 18.19, "selectivity": 5.25, "admet": 6.71, "novelty": 4.55, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 7.73, "LE": 0.378, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.886, "cyp2c9-veith": 0.438, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.73, "herg": 0.072, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.477610323986972, "aff_pf": -1.7280380725860596, "aff_hs": -1.1510006586710613, "repeats_pf": {"runs": 3, "values": [-1.6602, -1.7881, -1.7358], "mean": -1.728, "spread": 0.1278}, "repeats_hs": {"runs": 3, "values": [-1.1753, -1.1624, -1.1153], "mean": -1.151, "spread": 0.06}, "at": 1786844534}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832964, "scored_at": 1786844534, "alerts": [], "rank": 1703}, {"candidate_id": "ODC-F12479", "res_at": 1786958628, "skeleton": "ZMTNUWNEQCCUQJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 52.452, "axes": {"activity": 20.78, "binding": 13.72, "selectivity": 6.64, "admet": 4.25, "novelty": 4.26, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.847, "fraction": 0.693}, "binding": {"pIC50": 7.06, "LE": 0.358, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.484, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.356, "cyp3a4-substrate-carbonmangels": 0.882, "ld50-zhu": 0.711, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.846535269123387, "aff_pf": -1.0574278036753337, "aff_hs": -0.08987613519032796, "repeats_pf": {"runs": 3, "values": [-1.1039, -0.9293, -1.1391], "mean": -1.0574, "spread": 0.2098}, "repeats_hs": {"runs": 3, "values": [-0.1047, -0.0799, -0.085], "mean": -0.0899, "spread": 0.0248}, "at": 1786958628}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957453, "scored_at": 1786958628, "alerts": [], "rank": 1704}, {"candidate_id": "ODC-7AFA3F", "res_at": 1788266425, "skeleton": "BILCGOBQNMFFGB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — bypass [S1-BP-Ethyl]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 52.452, "axes": {"activity": 24.1, "binding": 9.74, "selectivity": 3.53, "admet": 6.44, "novelty": 5.05, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.046, "fraction": 0.803}, "binding": {"pIC50": 6.46, "LE": 0.369, "potency_term": 0.487, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.788, "ld50-zhu": 0.304, "herg": 0.494, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 6.045817257598752, "aff_pf": -0.4610096911589305, "aff_hs": 0.26392264167467755, "repeats_pf": {"runs": 3, "values": [-0.5947, -0.2799, -0.5084], "mean": -0.461, "spread": 0.3148}, "repeats_hs": {"runs": 3, "values": [0.3121, 0.0077, 0.4719], "mean": 0.2639, "spread": 0.4642}, "at": 1788266425}, "tier": 1, "alerts": [], "total_sd": 1.173, "total_ci95": [50.226, 54.917], "relegate_reason": [], "submitted_at": 1788248722, "scored_at": 1788266425, "rank": 1705}, {"candidate_id": "ODC-1E3649", "res_at": 1789629125, "skeleton": "LKBRJNBDHDRFET", "hf_user": "Bio-JS", "display_name": "0917-S1-div01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 52.451, "axes": {"activity": 14.11, "binding": 15.56, "selectivity": 9.49, "admet": 5.5, "novelty": 4.38, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.47}, "binding": {"pIC50": 7.33, "LE": 0.386, "potency_term": 0.778, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.778}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.512, "herg": 0.161, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.446533576582319, "aff_pf": -1.333890438079834, "aff_hs": -0.11354616284370422, "repeats_pf": {"runs": 3, "values": [-1.3118, -1.3964, -1.2935], "mean": -1.3339, "spread": 0.1029}, "repeats_hs": {"runs": 3, "values": [-0.0494, -0.166, -0.1252], "mean": -0.1135, "spread": 0.1166}, "at": 1789629125}, "tier": 1, "alerts": [], "total_sd": 0.687, "total_ci95": [51.368, 53.884], "relegate_reason": [], "submitted_at": 1789628541, "scored_at": 1789629125, "rank": 1706}, {"candidate_id": "ODC-C34F23", "res_at": 1788089778, "skeleton": "XTSDBPKODRFHPF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.45, "axes": {"activity": 18.06, "binding": 15.69, "selectivity": 8.21, "admet": 3.27, "novelty": 3.64, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.683, "fraction": 0.602}, "binding": {"pIC50": 7.35, "LE": 0.42, "potency_term": 0.784, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.523, "target_engagement": 0.784}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.064, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.513, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.683316235928014, "aff_pf": -1.3529083331425984, "aff_hs": -0.3059937159220378, "repeats_pf": {"runs": 3, "values": [-1.3735, -1.3503, -1.335], "mean": -1.3529, "spread": 0.0385}, "repeats_hs": {"runs": 3, "values": [-0.2847, -0.3279, -0.3053], "mean": -0.306, "spread": 0.0432}, "at": 1788089778}, "tier": 1, "alerts": [], "total_sd": 0.215, "total_ci95": [52.05, 52.907], "relegate_reason": [], "submitted_at": 1788080513, "scored_at": 1788089778, "rank": 1707}, {"candidate_id": "ODC-2D97E0", "res_at": 1787119067, "skeleton": "VMKYSEPFGLIQAU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········)COC1", "total": 52.448, "axes": {"activity": 26.53, "binding": 7.32, "selectivity": 3.64, "admet": 5.32, "novelty": 6.28, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 6.192, "fraction": 0.884}, "binding": {"pIC50": 6.33, "LE": 0.248, "potency_term": 0.443, "efficiency_cap": 0.826}, "selectivity": {"fold": 6.6, "selectivity_term": 0.41, "target_engagement": 0.443}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.554, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.67, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.191658638821159, "aff_pf": -0.33022411664326984, "aff_hs": 0.4905272920926412, "repeats_pf": {"runs": 3, "values": [-0.2959, -0.2983, -0.3965], "mean": -0.3302, "spread": 0.1006}, "repeats_hs": {"runs": 3, "values": [0.3332, 0.8631, 0.2752], "mean": 0.4905, "spread": 0.5879}, "at": 1787119067}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101138, "scored_at": 1787119067, "alerts": [], "rank": 1708}, {"candidate_id": "ODC-C4276F", "res_at": 1786949427, "skeleton": "XIHOVZRVWWPFIH", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 52.436, "axes": {"activity": 16.08, "binding": 17.81, "selectivity": 8.26, "admet": 5.45, "novelty": 1.81, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 7.67, "LE": 0.362, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.505, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.862, "herg": 0.05, "dili": 0.104}}, "novelty": {"max_tanimoto": 0.797, "novelty": 0.203}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.565015485355302, "aff_pf": -1.6709710359573364, "aff_hs": -0.7436857024828593, "repeats_pf": {"runs": 3, "values": [-1.6877, -1.6819, -1.6433], "mean": -1.671, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [-0.6619, -0.5894, -0.9797], "mean": -0.7437, "spread": 0.3904}, "at": 1786949427}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937502, "scored_at": 1786949427, "alerts": [], "rank": 1709}, {"candidate_id": "ODC-95D711", "res_at": 1789120353, "skeleton": "VKMROGPFOBYRCH", "hf_user": "Bio-JS", "display_name": "0911-S1-anil_7", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.415, "axes": {"activity": 14.4, "binding": 14.71, "selectivity": 11.25, "admet": 5.17, "novelty": 3.8, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 7.21, "LE": 0.411, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.8, "selectivity_term": 0.765, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.469, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.455, "herg": 0.789, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.464026070730615, "aff_pf": -1.2060894171396892, "aff_hs": 0.3232577045758565, "repeats_pf": {"runs": 3, "values": [-1.2306, -1.2082, -1.1795], "mean": -1.2061, "spread": 0.0511}, "repeats_hs": {"runs": 3, "values": [0.444, 0.244, 0.2818], "mean": 0.3233, "spread": 0.2}, "at": 1789120353}, "tier": 1, "alerts": [], "total_sd": 0.492, "total_ci95": [51.603, 53.543], "relegate_reason": [], "submitted_at": 1789117044, "scored_at": 1789120353, "rank": 1710}, {"candidate_id": "ODC-25B639", "res_at": 1786878300, "skeleton": "HOUUTADEPHZOQR", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 52.388, "axes": {"activity": 10.08, "binding": 14.53, "selectivity": 14.53, "admet": 5.97, "novelty": 4.29, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.205, "fraction": 0.336}, "binding": {"pIC50": 7.18, "LE": 0.447, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 102.3, "selectivity_term": 1.0, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.539, "cyp3a4-substrate-carbonmangels": 0.605, "ld50-zhu": 0.427, "herg": 0.932, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.204765097982794, "aff_pf": -1.18019700050354, "aff_hs": 0.8296021819114685, "repeats_pf": {"runs": 3, "values": [-1.1867, -1.1978, -1.156], "mean": -1.1802, "spread": 0.0418}, "repeats_hs": {"runs": 3, "values": [0.7901, 0.8431, 0.8556], "mean": 0.8296, "spread": 0.0654}, "at": 1786878300}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867939, "scored_at": 1786878300, "alerts": [], "rank": 1711}, {"candidate_id": "ODC-4B0064", "res_at": 1786926647, "skeleton": "LLIXJKHTLOXAME", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 52.373, "axes": {"activity": 14.55, "binding": 13.26, "selectivity": 13.1, "admet": 5.25, "novelty": 3.32, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.663, "efficiency_cap": 1.0}, "selectivity": {"fold": 94.6, "selectivity_term": 0.988, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 0.414, "ld50-zhu": 0.5, "herg": 0.544, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.473297738534305, "aff_pf": -0.9895671010017395, "aff_hs": 0.9862515528996786, "repeats_pf": {"runs": 3, "values": [-1.0139, -0.9962, -0.9586], "mean": -0.9896, "spread": 0.0553}, "repeats_hs": {"runs": 3, "values": [1.1197, 0.8802, 0.9588], "mean": 0.9863, "spread": 0.2395}, "at": 1786926647}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923279, "scored_at": 1786926647, "alerts": [], "rank": 1712}, {"candidate_id": "ODC-48A9D0", "res_at": 1786805594, "skeleton": "MNYVMDBRKKXHBE", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Claude-Opus5, GPT-5.6 Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 52.36, "axes": {"activity": 14.3, "binding": 15.41, "selectivity": 10.9, "admet": 5.2, "novelty": 3.51, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.458, "fraction": 0.477}, "binding": {"pIC50": 7.31, "LE": 0.417, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.0, "selectivity_term": 0.708, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.695, "ld50-zhu": 0.392, "herg": 0.377, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.458097522363137, "aff_pf": -1.311160405476888, "aff_hs": 0.10429899891217549, "repeats_pf": {"runs": 3, "values": [-1.2569, -1.3501, -1.3264], "mean": -1.3112, "spread": 0.0932}, "repeats_hs": {"runs": 3, "values": [0.1031, 0.1564, 0.0535], "mean": 0.1043, "spread": 0.1029}, "at": 1786805594}, "tier": 1, "relegate_reason": [], "submitted_at": 1786787818, "scored_at": 1786805594, "alerts": [], "rank": 1713}, {"candidate_id": "ODC-99D4FC", "res_at": 1787955060, "skeleton": "VFLGQXCPOUNNOF", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCC2··········)c1C2", "total": 52.353, "axes": {"activity": 30.0, "binding": 6.99, "selectivity": 0.0, "admet": 4.96, "novelty": 7.44, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 6.695, "fraction": 1.0}, "binding": {"pIC50": 6.19, "LE": 0.265, "potency_term": 0.396, "efficiency_cap": 0.883}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.311, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.787, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "0", "pAct_q10": 6.694637630020496, "aff_pf": -0.18694939464330673, "aff_hs": -0.24420169492562613, "repeats_pf": {"runs": 3, "values": [-0.4925, -0.0422, -0.0261], "mean": -0.1869, "spread": 0.4664}, "repeats_hs": {"runs": 3, "values": [-0.2698, -0.3812, -0.0816], "mean": -0.2442, "spread": 0.2995}, "at": 1787955060}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946097, "scored_at": 1787955060, "alerts": [], "rank": 1714}, {"candidate_id": "ODC-6EFE6F", "res_at": 1789262674, "skeleton": "VKBGPCRLDCUXCG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.343, "axes": {"activity": 15.65, "binding": 15.25, "selectivity": 9.39, "admet": 4.67, "novelty": 4.06, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 7.29, "LE": 0.399, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.615, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.492, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.696, "herg": 0.248, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.5392768291369885, "aff_pf": -1.2880295117696126, "aff_hs": -0.05718149741490682, "repeats_pf": {"runs": 3, "values": [-1.3037, -1.3731, -1.1873], "mean": -1.288, "spread": 0.1857}, "repeats_hs": {"runs": 3, "values": [0.1469, -0.1315, -0.187], "mean": -0.0572, "spread": 0.3339}, "at": 1789262674}, "tier": 1, "alerts": [], "total_sd": 1.172, "total_ci95": [50.202, 54.693], "relegate_reason": [], "submitted_at": 1789262438, "scored_at": 1789262674, "rank": 1715}, {"candidate_id": "ODC-0D95D2", "res_at": 1787622724, "skeleton": "SOUMSNQHEJVVPL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 52.342, "axes": {"activity": 12.74, "binding": 18.58, "selectivity": 8.67, "admet": 4.96, "novelty": 3.61, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.425}, "binding": {"pIC50": 7.79, "LE": 0.395, "potency_term": 0.929, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.466, "target_engagement": 0.929}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.369, "herg": 0.088, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.364311245494278, "aff_pf": -1.7874441146850586, "aff_hs": -0.8546304305394491, "repeats_pf": {"runs": 3, "values": [-1.8127, -1.7716, -1.778], "mean": -1.7874, "spread": 0.0411}, "repeats_hs": {"runs": 3, "values": [-0.8561, -0.8361, -0.8717], "mean": -0.8546, "spread": 0.0355}, "at": 1787622724}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620922, "scored_at": 1787622724, "alerts": [], "rank": 1716}, {"candidate_id": "ODC-5B196E", "res_at": 1787124808, "skeleton": "RULKVEJENIELGJ", "hf_user": "takutoyo", "display_name": "PfD7-A1", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#CCc1c··········nc2n1", "total": 52.34, "axes": {"activity": 17.18, "binding": 14.85, "selectivity": 7.8, "admet": 4.61, "novelty": 4.88, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.631, "fraction": 0.573}, "binding": {"pIC50": 7.23, "LE": 0.396, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.525, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.375, "herg": 0.708, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.6306715588542, "aff_pf": -1.2282036940256755, "aff_hs": -0.17831681420405707, "repeats_pf": {"runs": 3, "values": [-1.2151, -1.1873, -1.2822], "mean": -1.2282, "spread": 0.095}, "repeats_hs": {"runs": 3, "values": [-0.2569, -0.1626, -0.1155], "mean": -0.1783, "spread": 0.1414}, "at": 1787124808}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108145, "scored_at": 1787124808, "alerts": [], "rank": 1717}, {"candidate_id": "ODC-5662EF", "res_at": 1788088932, "skeleton": "PIGFOZAKFLAVGC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 52.333, "axes": {"activity": 18.02, "binding": 14.64, "selectivity": 7.0, "admet": 5.43, "novelty": 3.91, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.681, "fraction": 0.601}, "binding": {"pIC50": 7.2, "LE": 0.394, "potency_term": 0.732, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.593, "ld50-zhu": 0.421, "herg": 0.397, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.681498752517626, "aff_pf": -1.1966386238733928, "aff_hs": -0.24067999919255575, "repeats_pf": {"runs": 3, "values": [-1.2413, -1.1763, -1.1724], "mean": -1.1966, "spread": 0.0689}, "repeats_hs": {"runs": 3, "values": [-0.1892, -0.4075, -0.1253], "mean": -0.2407, "spread": 0.2822}, "at": 1788088932}, "tier": 1, "alerts": [], "total_sd": 0.723, "total_ci95": [50.6, 53.908], "relegate_reason": [], "submitted_at": 1788080481, "scored_at": 1788088932, "rank": 1718}, {"candidate_id": "ODC-A584B5", "res_at": 1787051318, "skeleton": "HNVPUUVLEPTVIJ", "hf_user": "takutoyo", "display_name": "PfD6-A4", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.332, "axes": {"activity": 13.52, "binding": 15.65, "selectivity": 10.16, "admet": 5.65, "novelty": 3.84, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.451}, "binding": {"pIC50": 7.35, "LE": 0.458, "potency_term": 0.782, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.9, "selectivity_term": 0.65, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.741, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.086, "ld50-zhu": 0.614, "herg": 0.658, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.411309804497391, "aff_pf": -1.3469115893046062, "aff_hs": -0.04787477354208628, "repeats_pf": {"runs": 3, "values": [-1.3439, -1.3687, -1.3281], "mean": -1.3469, "spread": 0.0406}, "repeats_hs": {"runs": 3, "values": [-0.0401, -0.0745, -0.029], "mean": -0.0479, "spread": 0.0455}, "at": 1787051318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787046997, "scored_at": 1787051318, "alerts": [], "rank": 1719}, {"candidate_id": "ODC-46905C", "res_at": 1789184319, "skeleton": "WRHDBRMLOLWLJU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 52.33, "axes": {"activity": 14.87, "binding": 15.16, "selectivity": 10.62, "admet": 4.55, "novelty": 4.04, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.496}, "binding": {"pIC50": 7.27, "LE": 0.399, "potency_term": 0.758, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.2, "selectivity_term": 0.701, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.297, "cyp2c9-veith": 0.641, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.735, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.492497224070498, "aff_pf": -1.2734068234761555, "aff_hs": 0.12846779326597849, "repeats_pf": {"runs": 3, "values": [-1.303, -1.2882, -1.229], "mean": -1.2734, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [0.0749, 0.1812, 0.1293], "mean": 0.1285, "spread": 0.1063}, "at": 1789184319}, "tier": 1, "alerts": [], "total_sd": 0.496, "total_ci95": [51.403, 53.317], "relegate_reason": [], "submitted_at": 1789174393, "scored_at": 1789184319, "rank": 1720}, {"candidate_id": "ODC-5ED03C", "res_at": 1789353639, "skeleton": "MNAKINXIJPKHDA", "hf_user": "Bio-JS", "display_name": "0914-S1-div10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.327, "axes": {"activity": 16.23, "binding": 14.47, "selectivity": 9.37, "admet": 4.81, "novelty": 4.29, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.574, "fraction": 0.541}, "binding": {"pIC50": 7.17, "LE": 0.427, "potency_term": 0.723, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.723}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.414, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.573685535092489, "aff_pf": -1.1697856187820435, "aff_hs": 0.1260564054052035, "repeats_pf": {"runs": 3, "values": [-1.1877, -1.2585, -1.0631], "mean": -1.1698, "spread": 0.1954}, "repeats_hs": {"runs": 3, "values": [0.1746, 0.0883, 0.1153], "mean": 0.1261, "spread": 0.0863}, "at": 1789353639}, "tier": 1, "alerts": [], "total_sd": 1.123, "total_ci95": [49.757, 54.471], "relegate_reason": [], "submitted_at": 1789346107, "scored_at": 1789353639, "rank": 1721}, {"candidate_id": "ODC-663010", "res_at": 1786882102, "skeleton": "LFDWJTRHRFEIDZ", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.322, "axes": {"activity": 11.42, "binding": 15.86, "selectivity": 11.41, "admet": 5.51, "novelty": 4.92, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.381}, "binding": {"pIC50": 7.38, "LE": 0.439, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.5, "selectivity_term": 0.719, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.414, "ld50-zhu": 0.597, "herg": 0.521, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.285049223946949, "aff_pf": -1.3784315188725789, "aff_hs": 0.06030789017677307, "repeats_pf": {"runs": 3, "values": [-1.3672, -1.4201, -1.348], "mean": -1.3784, "spread": 0.0721}, "repeats_hs": {"runs": 3, "values": [0.0149, 0.0878, 0.0782], "mean": 0.0603, "spread": 0.0729}, "at": 1786882102}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875306, "scored_at": 1786882102, "alerts": [], "rank": 1722}, {"candidate_id": "ODC-4E4FFB", "res_at": 1789883868, "skeleton": "SHPQYEBQNSRUMF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 52.321, "axes": {"activity": 21.96, "binding": 13.76, "selectivity": 5.38, "admet": 3.9, "novelty": 4.3, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.917, "fraction": 0.732}, "binding": {"pIC50": 7.06, "LE": 0.358, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.391, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.212, "ld50-zhu": 0.453, "herg": 0.182, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.917311043367851, "aff_pf": -1.0638648668924968, "aff_hs": -0.2824857334295909, "repeats_pf": {"runs": 3, "values": [-1.0553, -1.0769, -1.0594], "mean": -1.0639, "spread": 0.0216}, "repeats_hs": {"runs": 3, "values": [-0.0008, -0.4053, -0.4414], "mean": -0.2825, "spread": 0.4405}, "at": 1789883868}, "tier": 1, "alerts": [], "total_sd": 0.85, "total_ci95": [51.219, 54.259], "relegate_reason": [], "submitted_at": 1789657773, "scored_at": 1789883868, "rank": 1723}, {"candidate_id": "ODC-18B269", "res_at": 1787373484, "skeleton": "JELZAHZXDWIKQM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.319, "axes": {"activity": 16.16, "binding": 14.91, "selectivity": 10.35, "admet": 5.32, "novelty": 2.24, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.24, "LE": 0.381, "potency_term": 0.745, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.5, "selectivity_term": 0.694, "target_engagement": 0.745}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.495, "cyp3a4-substrate-carbonmangels": 0.356, "ld50-zhu": 0.459, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.569515057705839, "aff_pf": -1.2359377543131511, "aff_hs": 0.15305068095525107, "repeats_pf": {"runs": 3, "values": [-1.306, -1.125, -1.2768], "mean": -1.2359, "spread": 0.1809}, "repeats_hs": {"runs": 3, "values": [0.0689, 0.1916, 0.1987], "mean": 0.1531, "spread": 0.1298}, "at": 1787373484}, "tier": 1, "relegate_reason": [], "submitted_at": 1787367676, "scored_at": 1787373484, "alerts": [], "rank": 1724}, {"candidate_id": "ODC-F521D3", "res_at": 1786939983, "skeleton": "RSFRJVRPYMXGEC", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCSc1n··········)n2n1", "total": 52.305, "axes": {"activity": 17.11, "binding": 13.58, "selectivity": 10.99, "admet": 3.65, "novelty": 4.07, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.627, "fraction": 0.57}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.5, "selectivity_term": 0.809, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.905, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.541, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.626838814426422, "aff_pf": -1.036711573600769, "aff_hs": 0.5813686847686768, "repeats_pf": {"runs": 3, "values": [-0.9961, -1.0386, -1.0754], "mean": -1.0367, "spread": 0.0793}, "repeats_hs": {"runs": 3, "values": [0.7072, 0.719, 0.3179], "mean": 0.5814, "spread": 0.4011}, "at": 1786939983}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934258, "scored_at": 1786939983, "alerts": [], "rank": 1725}, {"candidate_id": "ODC-50B97D", "res_at": 1788067855, "skeleton": "OOFHNSYNOYBBGR", "hf_user": "Bio-JS", "display_name": "26 A2 x 팔4 C-연결", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 52.286, "axes": {"activity": 17.62, "binding": 15.07, "selectivity": 8.46, "admet": 3.15, "novelty": 4.94, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.657, "fraction": 0.587}, "binding": {"pIC50": 7.46, "LE": 0.276, "potency_term": 0.819, "efficiency_cap": 0.92}, "selectivity": {"fold": 10.8, "selectivity_term": 0.516, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.394, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.604, "herg": 0.05, "dili": 0.157}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.657367009328996, "aff_pf": -1.4568280378977458, "aff_hs": -0.4243902266025543, "repeats_pf": {"runs": 3, "values": [-1.3646, -1.6218, -1.3841], "mean": -1.4568, "spread": 0.2572}, "repeats_hs": {"runs": 3, "values": [-0.4756, -0.3874, -0.4102], "mean": -0.4244, "spread": 0.0883}, "at": 1788067855}, "tier": 1, "alerts": [], "total_sd": 1.833, "total_ci95": [49.886, 56.741], "relegate_reason": [], "submitted_at": 1788017534, "scored_at": 1788067855, "rank": 1726}, {"candidate_id": "ODC-235CDA", "res_at": 1789920522, "skeleton": "SRHVAIMTPCZDTB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.278, "axes": {"activity": 13.56, "binding": 18.51, "selectivity": 6.43, "admet": 5.15, "novelty": 5.01, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.414, "fraction": 0.452}, "binding": {"pIC50": 7.78, "LE": 0.41, "potency_term": 0.925, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.347, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.477, "herg": 0.09, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.413882047294021, "aff_pf": -1.7760662237803142, "aff_hs": -1.0813014904658, "repeats_pf": {"runs": 3, "values": [-1.7877, -1.805, -1.7355], "mean": -1.7761, "spread": 0.0694}, "repeats_hs": {"runs": 3, "values": [-1.0845, -1.0614, -1.098], "mean": -1.0813, "spread": 0.0366}, "at": 1789920522}, "tier": 1, "alerts": [], "total_sd": 0.419, "total_ci95": [51.453, 52.931], "relegate_reason": [], "submitted_at": 1789758082, "scored_at": 1789920522, "rank": 1727}, {"candidate_id": "ODC-BCF779", "res_at": 1786936062, "skeleton": "BOCXJRKSTQORNL", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 52.265, "axes": {"activity": 16.02, "binding": 13.78, "selectivity": 12.15, "admet": 4.27, "novelty": 3.21, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.07, "LE": 0.359, "potency_term": 0.689, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.0, "selectivity_term": 0.882, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.492, "herg": 0.256, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.561084213526, "aff_pf": -1.0662808020909627, "aff_hs": 0.6972179015477499, "repeats_pf": {"runs": 3, "values": [-1.0115, -1.1095, -1.0778], "mean": -1.0663, "spread": 0.098}, "repeats_hs": {"runs": 3, "values": [0.6974, 0.6829, 0.7114], "mean": 0.6972, "spread": 0.0285}, "at": 1786936062}, "tier": 1, "relegate_reason": [], "submitted_at": 1786927646, "scored_at": 1786936062, "alerts": [], "rank": 1728}, {"candidate_id": "ODC-0BB553", "res_at": 1786936255, "skeleton": "AIMIFIQJHKDRNI", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.262, "axes": {"activity": 18.22, "binding": 14.1, "selectivity": 8.66, "admet": 4.67, "novelty": 3.7, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 7.11, "LE": 0.39, "potency_term": 0.705, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.615, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.298, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.564, "herg": 0.69, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.693057604106467, "aff_pf": -1.1142550706863403, "aff_hs": 0.1149835189183553, "repeats_pf": {"runs": 3, "values": [-1.1308, -1.112, -1.1], "mean": -1.1143, "spread": 0.0308}, "repeats_hs": {"runs": 3, "values": [0.0757, 0.0866, 0.1827], "mean": 0.115, "spread": 0.107}, "at": 1786936255}, "tier": 1, "relegate_reason": [], "submitted_at": 1786927880, "scored_at": 1786936255, "alerts": [], "rank": 1729}, {"candidate_id": "ODC-2070F7", "res_at": 1789185031, "skeleton": "ZZLCFHVRGRNBGL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.242, "axes": {"activity": 13.63, "binding": 18.03, "selectivity": 8.63, "admet": 4.61, "novelty": 2.95, "synthesis": 4.39}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.454}, "binding": {"pIC50": 7.7, "LE": 0.459, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.89, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 5.41806233454601, "aff_pf": -1.7040495077768962, "aff_hs": -0.7465574145317078, "repeats_pf": {"runs": 3, "values": [-1.7119, -1.6732, -1.7271], "mean": -1.704, "spread": 0.0539}, "repeats_hs": {"runs": 3, "values": [-0.7794, -0.6679, -0.7924], "mean": -0.7466, "spread": 0.1245}, "at": 1789185031}, "tier": 1, "alerts": [], "total_sd": 0.409, "total_ci95": [51.492, 53.118], "relegate_reason": [], "submitted_at": 1789174428, "scored_at": 1789185031, "rank": 1730}, {"candidate_id": "ODC-148000", "res_at": 1787409340, "skeleton": "MCCHCAMGFOGDTI", "hf_user": "takutoyo", "display_name": "PfD13-14", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 52.236, "axes": {"activity": 26.89, "binding": 12.08, "selectivity": 1.14, "admet": 3.11, "novelty": 6.42, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 6.214, "fraction": 0.896}, "binding": {"pIC50": 7.03, "LE": 0.268, "potency_term": 0.677, "efficiency_cap": 0.892}, "selectivity": {"fold": 1.5, "selectivity_term": 0.084, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.321, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "3", "pAct_q10": 6.2135241398921375, "aff_pf": -1.0314212640126545, "aff_hs": -0.8626896142959595, "repeats_pf": {"runs": 3, "values": [-1.1567, -0.828, -1.1096], "mean": -1.0314, "spread": 0.3287}, "repeats_hs": {"runs": 3, "values": [-0.8603, -0.9128, -0.8149], "mean": -0.8627, "spread": 0.098}, "at": 1787409340}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406780, "scored_at": 1787409340, "alerts": [], "rank": 1731}, {"candidate_id": "ODC-AB55D8", "res_at": 1789886493, "skeleton": "TYUDXMGKLNCPOZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········c1C#N", "total": 52.233, "axes": {"activity": 25.98, "binding": 11.62, "selectivity": 0.51, "admet": 5.21, "novelty": 5.65, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 6.159, "fraction": 0.866}, "binding": {"pIC50": 6.74, "LE": 0.33, "potency_term": 0.581, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.044, "target_engagement": 0.581}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.35, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.444, "herg": 0.236, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 6.15889945074988, "aff_pf": -0.7423336704572042, "aff_hs": -0.6551484068234762, "repeats_pf": {"runs": 3, "values": [-0.8317, -0.7325, -0.6628], "mean": -0.7423, "spread": 0.169}, "repeats_hs": {"runs": 3, "values": [-0.5273, -0.766, -0.6721], "mean": -0.6551, "spread": 0.2386}, "at": 1789886493}, "tier": 1, "alerts": [], "total_sd": 0.565, "total_ci95": [51.351, 53.591], "relegate_reason": [], "submitted_at": 1789657692, "scored_at": 1789886493, "rank": 1732}, {"candidate_id": "ODC-9DDEFA", "res_at": 1789381473, "skeleton": "DLSLWXHLAUUZLO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 52.228, "axes": {"activity": 11.24, "binding": 15.54, "selectivity": 12.76, "admet": 5.23, "novelty": 4.14, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.375}, "binding": {"pIC50": 7.33, "LE": 0.402, "potency_term": 0.777, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.9, "selectivity_term": 0.821, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.933, "cyp2c9-veith": 0.83, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.497, "herg": 0.074, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.274382928982812, "aff_pf": -1.331295649210612, "aff_hs": 0.31068554520606995, "repeats_pf": {"runs": 3, "values": [-1.4052, -1.334, -1.2546], "mean": -1.3313, "spread": 0.1506}, "repeats_hs": {"runs": 3, "values": [0.3538, 0.2814, 0.2968], "mean": 0.3107, "spread": 0.0723}, "at": 1789381473}, "tier": 1, "alerts": [], "total_sd": 0.926, "total_ci95": [50.446, 54.009], "relegate_reason": [], "submitted_at": 1789365793, "scored_at": 1789381473, "rank": 1733}, {"candidate_id": "ODC-4E64CA", "res_at": 1786876549, "skeleton": "XJDKWLFWZVTOLV", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 52.227, "axes": {"activity": 13.78, "binding": 15.88, "selectivity": 9.07, "admet": 6.4, "novelty": 3.53, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.459}, "binding": {"pIC50": 7.38, "LE": 0.44, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.644, "cyp3a4-substrate-carbonmangels": 0.394, "ld50-zhu": 0.404, "herg": 0.418, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.426642979726216, "aff_pf": -1.3817586501439412, "aff_hs": -0.23869753380616507, "repeats_pf": {"runs": 3, "values": [-1.3919, -1.4394, -1.314], "mean": -1.3818, "spread": 0.1254}, "repeats_hs": {"runs": 3, "values": [-0.2502, -0.2388, -0.2271], "mean": -0.2387, "spread": 0.0231}, "at": 1786876549}, "tier": 1, "relegate_reason": [], "submitted_at": 1786868474, "scored_at": 1786876549, "alerts": [], "rank": 1734}, {"candidate_id": "ODC-6834A6", "res_at": 1789528635, "skeleton": "PKLLTWDCJXODKZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 52.221, "axes": {"activity": 7.93, "binding": 17.85, "selectivity": 11.73, "admet": 5.6, "novelty": 5.35, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.076, "fraction": 0.264}, "binding": {"pIC50": 7.68, "LE": 0.421, "potency_term": 0.892, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.503, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.075723582405252, "aff_pf": -1.6768932342529297, "aff_hs": -0.3625528911749522, "repeats_pf": {"runs": 3, "values": [-1.6467, -1.535, -1.849], "mean": -1.6769, "spread": 0.3141}, "repeats_hs": {"runs": 3, "values": [-0.3401, -0.3185, -0.4291], "mean": -0.3626, "spread": 0.1106}, "at": 1789528635}, "tier": 1, "alerts": [], "total_sd": 1.879, "total_ci95": [48.674, 55.265], "relegate_reason": [], "submitted_at": 1789524757, "scored_at": 1789528635, "rank": 1735}, {"candidate_id": "ODC-A91712", "res_at": 1789994681, "skeleton": "BXHPNZGMACPCCJ", "hf_user": "Bio-JS", "display_name": "0921-S1-09", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 52.216, "axes": {"activity": 20.59, "binding": 15.44, "selectivity": 2.67, "admet": 5.14, "novelty": 4.92, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.836, "fraction": 0.686}, "binding": {"pIC50": 7.32, "LE": 0.385, "potency_term": 0.772, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.173, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.602, "ld50-zhu": 0.583, "herg": 0.245, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.835556326552607, "aff_pf": -1.3157276312510173, "aff_hs": -0.9702566663424174, "repeats_pf": {"runs": 3, "values": [-1.3402, -1.3236, -1.2834], "mean": -1.3157, "spread": 0.0567}, "repeats_hs": {"runs": 3, "values": [-0.9461, -1.0358, -0.929], "mean": -0.9703, "spread": 0.1068}, "at": 1789994681}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [51.54, 52.855], "relegate_reason": [], "submitted_at": 1789989892, "scored_at": 1789994681, "rank": 1736}, {"candidate_id": "ODC-5CA15E", "res_at": 1787903612, "skeleton": "FFPVNLINYYMGNU", "hf_user": "Bio-JS", "display_name": "옥세탄 x CH2F x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 52.215, "axes": {"activity": 15.16, "binding": 15.92, "selectivity": 9.08, "admet": 3.45, "novelty": 5.47, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.509, "fraction": 0.505}, "binding": {"pIC50": 7.51, "LE": 0.286, "potency_term": 0.836, "efficiency_cap": 0.952}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.141}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.509341998136711, "aff_pf": -1.507778525352478, "aff_hs": -0.42112888892491657, "repeats_pf": {"runs": 3, "values": [-1.4431, -1.6075, -1.4727], "mean": -1.5078, "spread": 0.1644}, "repeats_hs": {"runs": 3, "values": [-0.4206, -0.4809, -0.3619], "mean": -0.4211, "spread": 0.119}, "at": 1787903612}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889345, "scored_at": 1787903612, "alerts": [], "rank": 1737}, {"candidate_id": "ODC-780060", "res_at": 1787445349, "skeleton": "RIYZGDWNXFPNMI", "hf_user": "Ku-ku", "display_name": "KK-M-0823-06", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.204, "axes": {"activity": 15.1, "binding": 14.32, "selectivity": 10.64, "admet": 5.44, "novelty": 3.39, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.503}, "binding": {"pIC50": 7.15, "LE": 0.445, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.6, "selectivity_term": 0.743, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.498, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.546, "herg": 0.318, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.506195311611212, "aff_pf": -1.1480904420216878, "aff_hs": 0.337853600581487, "repeats_pf": {"runs": 3, "values": [-1.1496, -1.1396, -1.1551], "mean": -1.1481, "spread": 0.0155}, "repeats_hs": {"runs": 3, "values": [0.363, 0.3188, 0.3318], "mean": 0.3379, "spread": 0.0442}, "at": 1787445349}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443763, "scored_at": 1787445349, "alerts": [], "rank": 1738}, {"candidate_id": "ODC-49FCAF", "res_at": 1789142397, "skeleton": "NTDRKGSAGCBXTB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-WA-06", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)COC1", "total": 52.186, "axes": {"activity": 25.72, "binding": 10.73, "selectivity": 2.0, "admet": 4.54, "novelty": 5.92, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 6.143, "fraction": 0.857}, "binding": {"pIC50": 6.77, "LE": 0.273, "potency_term": 0.59, "efficiency_cap": 0.909}, "selectivity": {"fold": 2.2, "selectivity_term": 0.169, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.918, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.489, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.143011000196233, "aff_pf": -0.7693935831387838, "aff_hs": -0.4308442374070485, "repeats_pf": {"runs": 3, "values": [-0.7841, -0.831, -0.6931], "mean": -0.7694, "spread": 0.1378}, "repeats_hs": {"runs": 3, "values": [-0.4613, -0.3772, -0.454], "mean": -0.4308, "spread": 0.084}, "at": 1789142397}, "tier": 1, "alerts": [], "total_sd": 0.474, "total_ci95": [51.236, 53.039], "relegate_reason": [], "submitted_at": 1789141677, "scored_at": 1789142397, "rank": 1739}, {"candidate_id": "ODC-028C11", "res_at": 1786972284, "skeleton": "WOTJMJGEGKZQPD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 52.182, "axes": {"activity": 9.6, "binding": 16.84, "selectivity": 12.99, "admet": 3.86, "novelty": 5.28, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.176, "fraction": 0.32}, "binding": {"pIC50": 7.53, "LE": 0.344, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.9, "selectivity_term": 0.771, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.26}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.176014576575378, "aff_pf": -1.5259578227996826, "aff_hs": 0.016297106941541035, "repeats_pf": {"runs": 3, "values": [-1.2303, -1.6948, -1.6528], "mean": -1.526, "spread": 0.4645}, "repeats_hs": {"runs": 3, "values": [0.1034, -0.2684, 0.2139], "mean": 0.0163, "spread": 0.4824}, "at": 1786972284}, "tier": 1, "relegate_reason": [], "submitted_at": 1786972082, "scored_at": 1786972284, "alerts": [], "rank": 1740}, {"candidate_id": "ODC-C51D9A", "res_at": 1786933153, "skeleton": "WSPOAFSBKIRUON", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.136, "axes": {"activity": 17.67, "binding": 13.42, "selectivity": 8.95, "admet": 5.56, "novelty": 3.63, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.66, "fraction": 0.589}, "binding": {"pIC50": 7.01, "LE": 0.384, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.5, "selectivity_term": 0.666, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.76, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.501, "herg": 0.39, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.660464260306274, "aff_pf": -1.0134429534276326, "aff_hs": 0.3195137878259023, "repeats_pf": {"runs": 3, "values": [-0.9855, -1.0024, -1.0525], "mean": -1.0134, "spread": 0.067}, "repeats_hs": {"runs": 3, "values": [0.4967, 0.3431, 0.1188], "mean": 0.3195, "spread": 0.3779}, "at": 1786933153}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925693, "scored_at": 1786933153, "alerts": [], "rank": 1741}, {"candidate_id": "ODC-B4C5F7", "res_at": 1787031874, "skeleton": "LZYZYIHXVMCNDX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 52.128, "axes": {"activity": 15.3, "binding": 16.08, "selectivity": 7.08, "admet": 6.13, "novelty": 4.29, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 7.41, "LE": 0.423, "potency_term": 0.804, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.804, "ld50-zhu": 0.372, "herg": 0.614, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.517840078716829, "aff_pf": -1.411457856496175, "aff_hs": -0.5304508805274963, "repeats_pf": {"runs": 3, "values": [-1.4134, -1.4016, -1.4194], "mean": -1.4115, "spread": 0.0178}, "repeats_hs": {"runs": 3, "values": [-0.6548, -0.5405, -0.396], "mean": -0.5305, "spread": 0.2587}, "at": 1787031874}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030688, "scored_at": 1787031874, "alerts": [], "rank": 1742}, {"candidate_id": "ODC-D5ABA4", "res_at": 1789884329, "skeleton": "LOSDDRLHBPHJJX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 52.118, "axes": {"activity": 24.73, "binding": 10.05, "selectivity": 3.73, "admet": 4.85, "novelty": 5.5, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 6.084, "fraction": 0.824}, "binding": {"pIC50": 6.51, "LE": 0.318, "potency_term": 0.502, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.26, "cyp3a4-substrate-carbonmangels": 0.182, "ld50-zhu": 0.414, "herg": 0.321, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "2", "pAct_q10": 6.083987647269505, "aff_pf": -0.5069896876811981, "aff_hs": 0.2348969429731369, "repeats_pf": {"runs": 3, "values": [-0.4866, -0.4253, -0.6091], "mean": -0.507, "spread": 0.1839}, "repeats_hs": {"runs": 3, "values": [0.2571, 0.1582, 0.2894], "mean": 0.2349, "spread": 0.1311}, "at": 1789884329}, "tier": 1, "alerts": [], "total_sd": 0.652, "total_ci95": [51.052, 53.599], "relegate_reason": [], "submitted_at": 1789657786, "scored_at": 1789884329, "rank": 1743}, {"candidate_id": "ODC-B953B5", "res_at": 1787616663, "skeleton": "QJUQXIYTOAQBEI", "hf_user": "Moonweave", "display_name": "M5AI-SA-CAND-02", "model_name": "OpenAI Codex — selectivity/ADMET diagnostic", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········C2)s1", "total": 52.102, "axes": {"activity": 18.76, "binding": 14.56, "selectivity": 8.63, "admet": 3.51, "novelty": 3.02, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.726, "fraction": 0.625}, "binding": {"pIC50": 7.18, "LE": 0.365, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.3, "selectivity_term": 0.592, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.382, "herg": 0.05, "dili": 0.781}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 5.72571571834855, "aff_pf": -1.1844711303710938, "aff_hs": 0.00043343504269917804, "repeats_pf": {"runs": 3, "values": [-1.1911, -1.1483, -1.214], "mean": -1.1845, "spread": 0.0657}, "repeats_hs": {"runs": 3, "values": [-0.0458, 0.0174, 0.0296], "mean": 0.0004, "spread": 0.0754}, "at": 1787616663}, "tier": 1, "relegate_reason": [], "submitted_at": 1787615595, "scored_at": 1787616663, "alerts": [], "rank": 1744}, {"candidate_id": "ODC-AD6C87", "res_at": 1787522832, "skeleton": "FSSPTOAQWJUWRR", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.096, "axes": {"activity": 17.05, "binding": 14.55, "selectivity": 9.42, "admet": 4.31, "novelty": 3.7, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 7.18, "LE": 0.41, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.647, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.379, "ld50-zhu": 0.424, "herg": 0.579, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.623031253571331, "aff_pf": -1.1829911470413208, "aff_hs": 0.11167282362778981, "repeats_pf": {"runs": 3, "values": [-1.1532, -1.1862, -1.2096], "mean": -1.183, "spread": 0.0564}, "repeats_hs": {"runs": 3, "values": [-0.1444, 0.4502, 0.0292], "mean": 0.1117, "spread": 0.5945}, "at": 1787522832}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520602, "scored_at": 1787522832, "alerts": [], "rank": 1745}, {"candidate_id": "ODC-12FF3B", "res_at": 1788910348, "skeleton": "QPBJHJYDZPMVSU", "hf_user": "Bio-JS", "display_name": "0909-S1-26", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 52.092, "axes": {"activity": 22.38, "binding": 12.49, "selectivity": 4.19, "admet": 5.41, "novelty": 4.55, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.943, "fraction": 0.746}, "binding": {"pIC50": 6.87, "LE": 0.377, "potency_term": 0.625, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 0.275, "ld50-zhu": 0.358, "herg": 0.877, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.942582947057699, "aff_pf": -0.8737419446309408, "aff_hs": -0.20343034466107687, "repeats_pf": {"runs": 3, "values": [-0.79, -0.9513, -0.8799], "mean": -0.8737, "spread": 0.1612}, "repeats_hs": {"runs": 3, "values": [-0.2527, -0.1744, -0.1832], "mean": -0.2034, "spread": 0.0783}, "at": 1788910348}, "tier": 1, "alerts": [], "total_sd": 0.587, "total_ci95": [51.128, 53.286], "relegate_reason": [], "submitted_at": 1788902902, "scored_at": 1788910348, "rank": 1746}, {"candidate_id": "ODC-1D3514", "res_at": 1786878548, "skeleton": "GPHLHVJXEUHTAG", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 52.065, "axes": {"activity": 12.27, "binding": 14.27, "selectivity": 12.22, "admet": 5.65, "novelty": 4.64, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 7.14, "LE": 0.425, "potency_term": 0.714, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.6, "selectivity_term": 0.856, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.431, "cyp3a4-substrate-carbonmangels": 0.566, "ld50-zhu": 0.555, "herg": 0.404, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.335927797441717, "aff_pf": -1.1407650311787922, "aff_hs": 0.5719302097956339, "repeats_pf": {"runs": 3, "values": [-1.1351, -1.1755, -1.1117], "mean": -1.1408, "spread": 0.0639}, "repeats_hs": {"runs": 3, "values": [0.5487, 0.5721, 0.595], "mean": 0.5719, "spread": 0.0463}, "at": 1786878548}, "tier": 1, "relegate_reason": [], "submitted_at": 1786868001, "scored_at": 1786878548, "alerts": [], "rank": 1747}, {"candidate_id": "ODC-1A9642", "res_at": 1786837798, "skeleton": "WDNRWSJVXGZFMO", "hf_user": "Jt1004", "display_name": "Jt1004", "model_name": "OpenAI GPT-5.6 Sol + ODC Harness v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.063, "axes": {"activity": 15.35, "binding": 15.23, "selectivity": 10.61, "admet": 5.44, "novelty": 1.79, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 7.28, "LE": 0.434, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.603, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.25, "herg": 0.415, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.765, "novelty": 0.235}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.5211377605093555, "aff_pf": -1.284042477607727, "aff_hs": 0.10974858204523723, "repeats_pf": {"runs": 3, "values": [-1.26, -1.2836, -1.3086], "mean": -1.284, "spread": 0.0486}, "repeats_hs": {"runs": 3, "values": [0.1105, 0.0192, 0.1995], "mean": 0.1097, "spread": 0.1803}, "at": 1786837798}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805017, "scored_at": 1786837798, "alerts": [], "rank": 1748}, {"candidate_id": "ODC-193C9A", "res_at": 1787048580, "skeleton": "JQKSZOVNDDALLA", "hf_user": "ghost613", "display_name": "MAL-G3-04 SEt/5-F/3-F-4-CF3", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.062, "axes": {"activity": 18.83, "binding": 15.31, "selectivity": 4.0, "admet": 6.07, "novelty": 4.46, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.73, "fraction": 0.628}, "binding": {"pIC50": 7.3, "LE": 0.4, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.878, "ld50-zhu": 0.514, "herg": 0.32, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.7297608269102644, "aff_pf": -1.2972184022267659, "aff_hs": -0.7746643622716268, "repeats_pf": {"runs": 3, "values": [-1.3334, -1.2632, -1.2951], "mean": -1.2972, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [-0.8375, -0.6489, -0.8376], "mean": -0.7747, "spread": 0.1887}, "at": 1787048580}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043717, "scored_at": 1787048580, "alerts": [], "rank": 1749}, {"candidate_id": "ODC-5BCD3A", "res_at": 1788527636, "skeleton": "JEKTUIGVWNXHSQ", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 52.059, "axes": {"activity": 13.88, "binding": 15.64, "selectivity": 8.92, "admet": 6.48, "novelty": 4.45, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.782, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.612, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.482, "herg": 0.745, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "0", "pAct_q10": 5.433052235043374, "aff_pf": -1.346687873204549, "aff_hs": -0.2059097041686376, "repeats_pf": {"runs": 3, "values": [-1.356, -1.3401, -1.344], "mean": -1.3467, "spread": 0.0159}, "repeats_hs": {"runs": 3, "values": [-0.2103, -0.2307, -0.1768], "mean": -0.2059, "spread": 0.0539}, "at": 1788527636}, "tier": 1, "alerts": [], "total_sd": 0.133, "total_ci95": [51.813, 52.318], "relegate_reason": [], "submitted_at": 1788489523, "scored_at": 1788527636, "rank": 1750}, {"candidate_id": "ODC-154AD8", "res_at": 1789192780, "skeleton": "CPUUJDLBKZPSOQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 52.054, "axes": {"activity": 15.48, "binding": 13.87, "selectivity": 11.37, "admet": 5.13, "novelty": 2.9, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.529, "fraction": 0.516}, "binding": {"pIC50": 7.08, "LE": 0.404, "potency_term": 0.694, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.5, "selectivity_term": 0.819, "target_engagement": 0.694}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.93, "ld50-zhu": 0.371, "herg": 0.292, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.52858475819783, "aff_pf": -1.0805806318918865, "aff_hs": 0.5582336783409119, "repeats_pf": {"runs": 3, "values": [-1.069, -1.1133, -1.0594], "mean": -1.0806, "spread": 0.0539}, "repeats_hs": {"runs": 3, "values": [0.6102, 0.5758, 0.4887], "mean": 0.5582, "spread": 0.1216}, "at": 1789192780}, "tier": 1, "alerts": [], "total_sd": 0.365, "total_ci95": [51.259, 52.779], "relegate_reason": [], "submitted_at": 1789175213, "scored_at": 1789192780, "rank": 1751}, {"candidate_id": "ODC-6F4EC3", "res_at": 1786972791, "skeleton": "YXGOFYGCGRKGDD", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 52.051, "axes": {"activity": 23.88, "binding": 13.06, "selectivity": 2.46, "admet": 3.57, "novelty": 5.81, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 6.033, "fraction": 0.796}, "binding": {"pIC50": 6.96, "LE": 0.308, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.188, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 0.992, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.65, "herg": 0.136, "dili": 0.23}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 6.03290677379265, "aff_pf": -0.9595588694016138, "aff_hs": -0.583479106426239, "repeats_pf": {"runs": 3, "values": [-1.3615, -0.1562, -1.361], "mean": -0.9596, "spread": 1.2053}, "repeats_hs": {"runs": 3, "values": [-0.7119, -0.5678, -0.4708], "mean": -0.5835, "spread": 0.2411}, "at": 1786972791}, "tier": 1, "relegate_reason": [], "submitted_at": 1786972163, "scored_at": 1786972791, "alerts": [], "rank": 1752}, {"candidate_id": "ODC-D14123", "res_at": 1788580313, "skeleton": "UPNBTTDRZPKKOP", "hf_user": "1Dmeds", "display_name": "ODC26-S1D28", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 52.051, "axes": {"activity": 25.01, "binding": 7.76, "selectivity": 5.45, "admet": 4.77, "novelty": 6.04, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 6.101, "fraction": 0.834}, "binding": {"pIC50": 6.39, "LE": 0.25, "potency_term": 0.465, "efficiency_cap": 0.834}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.465}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.604, "caco2-wang": 0.235, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.836, "cyp2c9-veith": 0.406, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.536, "herg": 0.05, "dili": 0.107}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "0", "pAct_q10": 6.100776321978791, "aff_pf": -0.3943362633387248, "aff_hs": 0.7792364160219828, "repeats_pf": {"runs": 3, "values": [-0.3593, -0.4495, -0.3741], "mean": -0.3943, "spread": 0.0902}, "repeats_hs": {"runs": 3, "values": [0.8379, 0.736, 0.7638], "mean": 0.7792, "spread": 0.102}, "at": 1788580313}, "tier": 1, "alerts": [], "total_sd": 0.344, "total_ci95": [51.481, 52.793], "relegate_reason": [], "submitted_at": 1788555556, "scored_at": 1788580313, "rank": 1753}, {"candidate_id": "ODC-326603", "res_at": 1786923135, "skeleton": "QAODYILHALWWCC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-10th", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 52.048, "axes": {"activity": 12.61, "binding": 14.18, "selectivity": 13.33, "admet": 5.42, "novelty": 3.54, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 7.13, "LE": 0.425, "potency_term": 0.709, "efficiency_cap": 1.0}, "selectivity": {"fold": 75.9, "selectivity_term": 0.94, "target_engagement": 0.709}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.446, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.356403658028698, "aff_pf": -1.1267712116241455, "aff_hs": 0.7536817987759908, "repeats_pf": {"runs": 3, "values": [-1.1336, -1.1474, -1.0993], "mean": -1.1268, "spread": 0.0481}, "repeats_hs": {"runs": 3, "values": [0.7363, 0.6529, 0.8718], "mean": 0.7537, "spread": 0.2189}, "at": 1786923135}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921587, "scored_at": 1786923135, "alerts": [], "rank": 1754}, {"candidate_id": "ODC-F160F5", "res_at": 1787582824, "skeleton": "IAJYGNUSSPKGQG", "hf_user": "takutoyo", "display_name": "PfD17-04", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 52.032, "axes": {"activity": 25.92, "binding": 12.14, "selectivity": 2.1, "admet": 3.03, "novelty": 6.13, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 6.155, "fraction": 0.864}, "binding": {"pIC50": 7.13, "LE": 0.257, "potency_term": 0.709, "efficiency_cap": 0.856}, "selectivity": {"fold": 2.0, "selectivity_term": 0.148, "target_engagement": 0.709}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "3", "pAct_q10": 6.1552986412581445, "aff_pf": -1.1266538699467976, "aff_hs": -0.8308596809705099, "repeats_pf": {"runs": 3, "values": [-1.2052, -1.061, -1.1138], "mean": -1.1267, "spread": 0.1442}, "repeats_hs": {"runs": 3, "values": [-0.8616, -0.7899, -0.8411], "mean": -0.8309, "spread": 0.0716}, "at": 1787582824}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581685, "scored_at": 1787582824, "alerts": [], "rank": 1755}, {"candidate_id": "ODC-5274A5", "res_at": 1788269557, "skeleton": "ADSSNSUIQCAFBN", "hf_user": "Bio-JS", "display_name": "0901b-S1 옥세탄-에타이닐 x 설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)COC1", "total": 52.014, "axes": {"activity": 16.67, "binding": 14.01, "selectivity": 10.78, "admet": 2.98, "novelty": 4.82, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.6, "fraction": 0.556}, "binding": {"pIC50": 7.32, "LE": 0.271, "potency_term": 0.775, "efficiency_cap": 0.904}, "selectivity": {"fold": 24.6, "selectivity_term": 0.696, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.457, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.426, "herg": 0.05, "dili": 0.203}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.599969437372726, "aff_pf": -1.3244805335998535, "aff_hs": 0.06663404901822408, "repeats_pf": {"runs": 3, "values": [-1.3055, -1.4338, -1.2342], "mean": -1.3245, "spread": 0.1995}, "repeats_hs": {"runs": 3, "values": [0.1309, 0.0051, 0.0639], "mean": 0.0666, "spread": 0.1257}, "at": 1788269557}, "tier": 1, "alerts": [], "total_sd": 1.134, "total_ci95": [49.969, 54.788], "relegate_reason": [], "submitted_at": 1788264084, "scored_at": 1788269557, "rank": 1756}, {"candidate_id": "ODC-EB01FC", "res_at": 1786911320, "skeleton": "LUVPTKJSLZVMJQ", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.003, "axes": {"activity": 14.63, "binding": 14.83, "selectivity": 12.81, "admet": 4.22, "novelty": 2.04, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 7.22, "LE": 0.396, "potency_term": 0.742, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.3, "selectivity_term": 0.863, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.832, "cyp2c9-veith": 0.372, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.495, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.725, "novelty": 0.275}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.477530390161504, "aff_pf": -1.2248514493306477, "aff_hs": 0.5017848908901215, "repeats_pf": {"runs": 3, "values": [-1.2417, -1.2081, -1.2248], "mean": -1.2249, "spread": 0.0336}, "repeats_hs": {"runs": 3, "values": [0.4817, 0.4663, 0.5574], "mean": 0.5018, "spread": 0.0911}, "at": 1786911320}, "tier": 1, "relegate_reason": [], "submitted_at": 1786903732, "scored_at": 1786911320, "alerts": [], "rank": 1757}, {"candidate_id": "ODC-339802", "res_at": 1786842890, "skeleton": "GCUOYQKKHOTXEL", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.983, "axes": {"activity": 14.81, "binding": 15.98, "selectivity": 7.98, "admet": 5.57, "novelty": 3.93, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.489, "fraction": 0.494}, "binding": {"pIC50": 7.4, "LE": 0.461, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.499, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.452, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.375, "herg": 0.253, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.488801680375851, "aff_pf": -1.3974499702453613, "aff_hs": -0.3994798958301544, "repeats_pf": {"runs": 3, "values": [-1.3227, -1.4189, -1.4508], "mean": -1.3974, "spread": 0.1281}, "repeats_hs": {"runs": 3, "values": [-0.4365, -0.4659, -0.2961], "mean": -0.3995, "spread": 0.1698}, "at": 1786842890}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808561, "scored_at": 1786842890, "alerts": [], "rank": 1758}, {"candidate_id": "ODC-C213D4", "res_at": 1788574902, "skeleton": "BGLQDJPNBKLMMG", "hf_user": "Bio-JS", "display_name": "0905-S1-09 SCHF2/CN/OCF3/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.981, "axes": {"activity": 21.69, "binding": 12.95, "selectivity": 5.84, "admet": 4.03, "novelty": 4.48, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.902, "fraction": 0.723}, "binding": {"pIC50": 6.94, "LE": 0.34, "potency_term": 0.647, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.451, "target_engagement": 0.647}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.426, "ld50-zhu": 0.671, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.901551729437476, "aff_pf": -0.9418792724609375, "aff_hs": -0.03942956030368805, "repeats_pf": {"runs": 3, "values": [-0.8986, -0.974, -0.953], "mean": -0.9419, "spread": 0.0755}, "repeats_hs": {"runs": 3, "values": [-0.0362, 0.0361, -0.1182], "mean": -0.0394, "spread": 0.1543}, "at": 1788574902}, "tier": 1, "alerts": [], "total_sd": 0.34, "total_ci95": [51.288, 52.661], "relegate_reason": [], "submitted_at": 1788560030, "scored_at": 1788574902, "rank": 1759}, {"candidate_id": "ODC-5B6E35", "res_at": 1788059265, "skeleton": "PRDCOMXUUPEMMU", "hf_user": "Bio-JS", "display_name": "06 A2 오쏘 C->N", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.978, "axes": {"activity": 16.16, "binding": 13.43, "selectivity": 11.95, "admet": 3.04, "novelty": 4.8, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.16, "LE": 0.28, "potency_term": 0.719, "efficiency_cap": 0.934}, "selectivity": {"fold": 45.9, "selectivity_term": 0.831, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.375, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.416, "herg": 0.05, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.569746076976868, "aff_pf": -1.1566272179285686, "aff_hs": 0.5050885677337646, "repeats_pf": {"runs": 3, "values": [-1.2028, -1.1438, -1.1233], "mean": -1.1566, "spread": 0.0794}, "repeats_hs": {"runs": 3, "values": [0.5108, 0.4701, 0.5343], "mean": 0.5051, "spread": 0.0641}, "at": 1788059265}, "tier": 1, "alerts": [], "total_sd": 0.495, "total_ci95": [51.079, 52.984], "relegate_reason": [], "submitted_at": 1788017320, "scored_at": 1788059265, "rank": 1760}, {"candidate_id": "ODC-E206DE", "res_at": 1787704751, "skeleton": "JSEPPDBWCBYCEJ", "hf_user": "Bio-JS", "display_name": "팔 울타리: 페닐 2-F (전자 대조)", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.975, "axes": {"activity": 16.83, "binding": 14.88, "selectivity": 9.12, "admet": 3.03, "novelty": 5.21, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.61, "fraction": 0.561}, "binding": {"pIC50": 7.43, "LE": 0.275, "potency_term": 0.811, "efficiency_cap": 0.917}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.484, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.609764028405956, "aff_pf": -1.4333575169245403, "aff_hs": -0.30934282143910724, "repeats_pf": {"runs": 3, "values": [-1.4265, -1.3999, -1.4736], "mean": -1.4334, "spread": 0.0737}, "repeats_hs": {"runs": 3, "values": [-0.3129, -0.3346, -0.2805], "mean": -0.3093, "spread": 0.0541}, "at": 1787704751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702813, "scored_at": 1787704751, "alerts": [], "rank": 1761}, {"candidate_id": "ODC-17D712", "res_at": 1789264065, "skeleton": "JQIBHCVKMLNUKR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 51.974, "axes": {"activity": 13.82, "binding": 15.57, "selectivity": 10.3, "admet": 5.05, "novelty": 3.71, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 5.429, "fraction": 0.461}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.895, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.569, "ld50-zhu": 0.468, "herg": 0.195, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.429417643711359, "aff_pf": -1.3357774416605632, "aff_hs": -0.013287159303824106, "repeats_pf": {"runs": 3, "values": [-1.2971, -1.3497, -1.3605], "mean": -1.3358, "spread": 0.0634}, "repeats_hs": {"runs": 3, "values": [0.0385, 0.0243, -0.1027], "mean": -0.0133, "spread": 0.1412}, "at": 1789264065}, "tier": 1, "alerts": [], "total_sd": 0.506, "total_ci95": [51.009, 52.891], "relegate_reason": [], "submitted_at": 1789262797, "scored_at": 1789264065, "rank": 1762}, {"candidate_id": "ODC-ABA6C0", "res_at": 1786840965, "skeleton": "MVCWCYLUXAGFSM", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········32)s1", "total": 51.971, "axes": {"activity": 10.37, "binding": 17.27, "selectivity": 13.91, "admet": 6.11, "novelty": 0.0, "synthesis": 4.31}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.346}, "binding": {"pIC50": 7.59, "LE": 0.433, "potency_term": 0.863, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.8, "selectivity_term": 0.805, "target_engagement": 0.863}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.694, "ld50-zhu": 0.468, "herg": 0.28, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "1", "pAct_q10": 5.222458085066571, "aff_pf": -1.5901200771331787, "aff_hs": 0.02080020805199941, "repeats_pf": {"runs": 3, "values": [-1.5379, -1.4595, -1.773], "mean": -1.5901, "spread": 0.3136}, "repeats_hs": {"runs": 3, "values": [0.1329, -0.0059, -0.0646], "mean": 0.0208, "spread": 0.1975}, "at": 1786840965}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805803, "scored_at": 1786840965, "alerts": [], "rank": 1763}, {"candidate_id": "ODC-7560F6", "res_at": 1788591388, "skeleton": "NMBWTLTYNYMGGF", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.965, "axes": {"activity": 7.67, "binding": 15.71, "selectivity": 15.71, "admet": 4.95, "novelty": 4.26, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 5.06, "fraction": 0.256}, "binding": {"pIC50": 7.36, "LE": 0.42, "potency_term": 0.786, "efficiency_cap": 1.0}, "selectivity": {"fold": 100.9, "selectivity_term": 1.0, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.556, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.060259613341103, "aff_pf": -1.357203523317973, "aff_hs": 0.6467796564102173, "repeats_pf": {"runs": 3, "values": [-1.3638, -1.3538, -1.354], "mean": -1.3572, "spread": 0.01}, "repeats_hs": {"runs": 3, "values": [0.7376, 0.66, 0.5427], "mean": 0.6468, "spread": 0.1948}, "at": 1788591388}, "tier": 1, "alerts": [], "total_sd": 0.209, "total_ci95": [51.266, 52.088], "relegate_reason": [], "submitted_at": 1788583505, "scored_at": 1788591388, "rank": 1764}, {"candidate_id": "ODC-502BAA", "res_at": 1789403586, "skeleton": "HPGAHHBWUASRBK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.961, "axes": {"activity": 13.69, "binding": 14.71, "selectivity": 12.15, "admet": 3.92, "novelty": 4.57, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 7.21, "LE": 0.395, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.9, "selectivity_term": 0.826, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.814, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.526, "herg": 0.4, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.421103271641832, "aff_pf": -1.2058024009068806, "aff_hs": 0.4463573098182678, "repeats_pf": {"runs": 3, "values": [-1.2464, -1.1991, -1.1719], "mean": -1.2058, "spread": 0.0745}, "repeats_hs": {"runs": 3, "values": [0.4147, 0.442, 0.4824], "mean": 0.4464, "spread": 0.0677}, "at": 1789403586}, "tier": 1, "alerts": [], "total_sd": 0.458, "total_ci95": [51.127, 52.969], "relegate_reason": [], "submitted_at": 1789402270, "scored_at": 1789403586, "rank": 1765}, {"candidate_id": "ODC-4F940F", "res_at": 1786946220, "skeleton": "BAUAQLFRWVFNEX", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 51.956, "axes": {"activity": 20.8, "binding": 14.39, "selectivity": 5.78, "admet": 3.51, "novelty": 4.36, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.848, "fraction": 0.693}, "binding": {"pIC50": 7.16, "LE": 0.377, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.402, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.819, "ld50-zhu": 0.598, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.847934932506446, "aff_pf": -1.1589525143305461, "aff_hs": -0.35575173795223236, "repeats_pf": {"runs": 3, "values": [-1.1404, -1.2425, -1.0939], "mean": -1.159, "spread": 0.1486}, "repeats_hs": {"runs": 3, "values": [-0.1829, -0.4233, -0.461], "mean": -0.3558, "spread": 0.2782}, "at": 1786946220}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934305, "scored_at": 1786946220, "alerts": [], "rank": 1766}, {"candidate_id": "ODC-C651E1", "res_at": 1787175982, "skeleton": "NHFGKYLOLMXHEG", "hf_user": "1Dmeds", "display_name": "ODC26-FN-23", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 51.954, "axes": {"activity": 17.76, "binding": 15.26, "selectivity": 6.7, "admet": 4.87, "novelty": 3.88, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 7.29, "LE": 0.434, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.439, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.095, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.393, "herg": 0.779, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.665739762805646, "aff_pf": -1.2887094020843506, "aff_hs": -0.4101208746433258, "repeats_pf": {"runs": 3, "values": [-1.2701, -1.2919, -1.3041], "mean": -1.2887, "spread": 0.034}, "repeats_hs": {"runs": 3, "values": [-0.3422, -0.5551, -0.3331], "mean": -0.4101, "spread": 0.222}, "at": 1787175982}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171812, "scored_at": 1787175982, "alerts": [], "rank": 1767}, {"candidate_id": "ODC-BAAC0A", "res_at": 1787509051, "skeleton": "PQIRPZCYVGONGI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-GS02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 51.938, "axes": {"activity": 22.6, "binding": 13.45, "selectivity": 4.94, "admet": 3.95, "novelty": 3.89, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.956, "fraction": 0.753}, "binding": {"pIC50": 7.02, "LE": 0.332, "potency_term": 0.673, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.367, "target_engagement": 0.673}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.858, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.956069369683243, "aff_pf": -1.0179707209269206, "aff_hs": -0.28430552283922833, "repeats_pf": {"runs": 3, "values": [-1.0195, -0.9719, -1.0625], "mean": -1.018, "spread": 0.0906}, "repeats_hs": {"runs": 3, "values": [-0.1762, -0.4457, -0.2311], "mean": -0.2843, "spread": 0.2695}, "at": 1787509051}, "tier": 1, "relegate_reason": [], "submitted_at": 1787508549, "scored_at": 1787509051, "alerts": [], "rank": 1768}, {"candidate_id": "ODC-B55E4C", "res_at": 1786856098, "skeleton": "CZBHKSHMUOYFME", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.92, "axes": {"activity": 13.45, "binding": 16.19, "selectivity": 8.67, "admet": 5.72, "novelty": 4.4, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.448}, "binding": {"pIC50": 7.43, "LE": 0.407, "potency_term": 0.809, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.809}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.559, "ld50-zhu": 0.788, "herg": 0.263, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.40673689705867, "aff_pf": -1.428486704826355, "aff_hs": -0.3580019772052765, "repeats_pf": {"runs": 3, "values": [-1.4161, -1.445, -1.4244], "mean": -1.4285, "spread": 0.0289}, "repeats_hs": {"runs": 3, "values": [-0.3134, -0.5271, -0.2336], "mean": -0.358, "spread": 0.2935}, "at": 1786856098}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847764, "scored_at": 1786856098, "alerts": [], "rank": 1769}, {"candidate_id": "ODC-D6B16A", "res_at": 1787871816, "skeleton": "HNQLEEXWQKJTQD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 51.92, "axes": {"activity": 20.31, "binding": 17.28, "selectivity": 1.29, "admet": 4.6, "novelty": 4.96, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.818, "fraction": 0.677}, "binding": {"pIC50": 7.59, "LE": 0.4, "potency_term": 0.864, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.074, "target_engagement": 0.864}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.086, "ld50-zhu": 0.421, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.818337764371771, "aff_pf": -1.5924700895945232, "aff_hs": -1.4437682628631592, "repeats_pf": {"runs": 3, "values": [-1.5778, -1.6161, -1.5835], "mean": -1.5925, "spread": 0.0382}, "repeats_hs": {"runs": 3, "values": [-1.4784, -1.39, -1.4629], "mean": -1.4438, "spread": 0.0884}, "at": 1787859667}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806829, "scored_at": 1787859667, "alerts": [], "rank": 1770}, {"candidate_id": "ODC-5F630D", "res_at": 1788529645, "skeleton": "XKFQDABHPBQNKB", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 51.916, "axes": {"activity": 19.05, "binding": 13.64, "selectivity": 7.54, "admet": 4.88, "novelty": 3.64, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.743, "fraction": 0.635}, "binding": {"pIC50": 7.05, "LE": 0.386, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.8, "selectivity_term": 0.553, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.503, "ld50-zhu": 0.575, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.743284460692669, "aff_pf": -1.0464056332906086, "aff_hs": 0.059432546297709145, "repeats_pf": {"runs": 3, "values": [-1.0765, -1.0746, -0.9881], "mean": -1.0464, "spread": 0.0884}, "repeats_hs": {"runs": 3, "values": [0.0415, 0.0741, 0.0627], "mean": 0.0594, "spread": 0.0326}, "at": 1788529645}, "tier": 1, "alerts": [], "total_sd": 0.498, "total_ci95": [51.124, 52.668], "relegate_reason": [], "submitted_at": 1788489575, "scored_at": 1788529645, "rank": 1771}, {"candidate_id": "ODC-6D1351", "res_at": 1788777963, "skeleton": "HAHYFCOQTMJFAZ", "hf_user": "Bio-JS", "display_name": "0906-S1-29 SCHF2/CN/R6-F/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 51.904, "axes": {"activity": 18.46, "binding": 14.13, "selectivity": 7.41, "admet": 4.09, "novelty": 4.94, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.707, "fraction": 0.615}, "binding": {"pIC50": 7.12, "LE": 0.39, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.525, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.457, "herg": 0.769, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.70733818114979, "aff_pf": -1.1191693147023518, "aff_hs": -0.0695436696211497, "repeats_pf": {"runs": 3, "values": [-1.0981, -1.2416, -1.0178], "mean": -1.1192, "spread": 0.2238}, "repeats_hs": {"runs": 3, "values": [-0.1768, -0.1643, 0.1324], "mean": -0.0695, "spread": 0.3092}, "at": 1788777963}, "tier": 1, "alerts": [], "total_sd": 1.355, "total_ci95": [49.515, 54.751], "relegate_reason": [], "submitted_at": 1788666112, "scored_at": 1788777963, "rank": 1772}, {"candidate_id": "ODC-D0CABA", "res_at": 1788906596, "skeleton": "ZDUSKPYHPAKGPE", "hf_user": "Bio-JS", "display_name": "0909-S1-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.899, "axes": {"activity": 22.09, "binding": 11.82, "selectivity": 5.83, "admet": 4.79, "novelty": 4.29, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.925, "fraction": 0.736}, "binding": {"pIC50": 6.77, "LE": 0.344, "potency_term": 0.591, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.591}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.225, "cyp3a4-substrate-carbonmangels": 0.462, "ld50-zhu": 0.566, "herg": 0.226, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.925361070556222, "aff_pf": -0.7728374799092611, "aff_hs": 0.2140500396490097, "repeats_pf": {"runs": 3, "values": [-0.7769, -0.8015, -0.7401], "mean": -0.7728, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [0.2641, 0.2456, 0.1325], "mean": 0.2141, "spread": 0.1316}, "at": 1788906596}, "tier": 1, "alerts": [], "total_sd": 0.297, "total_ci95": [51.32, 52.488], "relegate_reason": [], "submitted_at": 1788902807, "scored_at": 1788906596, "rank": 1773}, {"candidate_id": "ODC-C8DC54", "res_at": 1787492255, "skeleton": "MXTCSWLVIJSXHK", "hf_user": "takutoyo", "display_name": "PfD15-04", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········cc1Br", "total": 51.887, "axes": {"activity": 25.61, "binding": 7.99, "selectivity": 2.38, "admet": 7.71, "novelty": 5.48, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 6.136, "fraction": 0.854}, "binding": {"pIC50": 6.2, "LE": 0.314, "potency_term": 0.399, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.298, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 0.957, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.665, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.497, "herg": 0.438, "dili": 0.559}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 6.136376326686855, "aff_pf": -0.19790524741013846, "aff_hs": 0.3987380067507426, "repeats_pf": {"runs": 3, "values": [-0.2257, -0.2416, -0.1264], "mean": -0.1979, "spread": 0.1153}, "repeats_hs": {"runs": 3, "values": [0.4661, 0.4014, 0.3287], "mean": 0.3987, "spread": 0.1373}, "at": 1787492255}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787491506, "scored_at": 1787492255, "rank": 1774}, {"candidate_id": "ODC-BD9F19", "res_at": 1786770283, "skeleton": "IHFHTMCIJBYNGU", "hf_user": "Sunghokim", "display_name": "SUNGHOKIM", "model_name": "Claude 5 Fable", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.88, "axes": {"activity": 13.64, "binding": 14.22, "selectivity": 12.27, "admet": 5.81, "novelty": 3.17, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.13, "LE": 0.444, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.3, "selectivity_term": 0.863, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.536, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.43, "herg": 0.585, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.418631119724671, "aff_pf": -1.1324987411499023, "aff_hs": 0.5941998958587646, "at": 1786770283}, "tier": 1, "relegate_reason": [], "submitted_at": 1786770060, "scored_at": 1786770283, "alerts": [], "rank": 1775}, {"candidate_id": "ODC-4F98ED", "res_at": 1787523805, "skeleton": "WSXULLGCCFOPIJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.867, "axes": {"activity": 25.07, "binding": 8.93, "selectivity": 2.15, "admet": 6.59, "novelty": 6.09, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 6.104, "fraction": 0.836}, "binding": {"pIC50": 6.34, "LE": 0.334, "potency_term": 0.447, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.958, "cyp3a4-substrate-carbonmangels": 0.3, "ld50-zhu": 0.482, "herg": 0.554, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 6.1040205442166755, "aff_pf": -0.33956868946552277, "aff_hs": 0.14272123078505197, "repeats_pf": {"runs": 3, "values": [-0.2414, -0.3905, -0.3867], "mean": -0.3396, "spread": 0.1491}, "repeats_hs": {"runs": 3, "values": [-0.0483, 0.308, 0.1684], "mean": 0.1427, "spread": 0.3563}, "at": 1787523805}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520624, "scored_at": 1787523805, "alerts": [], "rank": 1776}, {"candidate_id": "ODC-BD90EE", "res_at": 1787585780, "skeleton": "QZTHZHWXMLSJIB", "hf_user": "Moonweave", "display_name": "M5AI-RN-S4", "model_name": "OpenAI Codex — reference-neighborhood diagnostic", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 51.84, "axes": {"activity": 16.97, "binding": 15.77, "selectivity": 7.65, "admet": 4.37, "novelty": 3.13, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.566}, "binding": {"pIC50": 7.37, "LE": 0.404, "potency_term": 0.789, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.789}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.365, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.344, "herg": 0.05, "dili": 0.714}}, "novelty": {"max_tanimoto": 0.603, "novelty": 0.397}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 5.618445179893302, "aff_pf": -1.3658300638198853, "aff_hs": -0.3960760335127513, "repeats_pf": {"runs": 3, "values": [-1.4317, -1.2994, -1.3665], "mean": -1.3658, "spread": 0.1323}, "repeats_hs": {"runs": 3, "values": [-0.388, -0.4273, -0.3729], "mean": -0.3961, "spread": 0.0544}, "at": 1787585780}, "tier": 1, "relegate_reason": [], "submitted_at": 1787582079, "scored_at": 1787585780, "alerts": [], "rank": 1777}, {"candidate_id": "ODC-30C9CB", "res_at": 1789893348, "skeleton": "PMFFVLISQSDFHF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.821, "axes": {"activity": 21.54, "binding": 14.05, "selectivity": 3.9, "admet": 4.97, "novelty": 4.64, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.892, "fraction": 0.718}, "binding": {"pIC50": 7.11, "LE": 0.361, "potency_term": 0.703, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.552, "ld50-zhu": 0.425, "herg": 0.4, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.892226355483479, "aff_pf": -1.1076267560323079, "aff_hs": -0.5521128873030344, "repeats_pf": {"runs": 3, "values": [-1.1208, -1.1078, -1.0943], "mean": -1.1076, "spread": 0.0264}, "repeats_hs": {"runs": 3, "values": [-0.6034, -0.4904, -0.5626], "mean": -0.5521, "spread": 0.113}, "at": 1789893348}, "tier": 1, "alerts": [], "total_sd": 0.209, "total_ci95": [51.447, 52.255], "relegate_reason": [], "submitted_at": 1789658460, "scored_at": 1789893348, "rank": 1778}, {"candidate_id": "ODC-65FABE", "res_at": 1788269104, "skeleton": "SXQITHRMOSSTEV", "hf_user": "Bio-JS", "display_name": "0901b-S1 아닐린 3-F x 옥세탄 x 설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.809, "axes": {"activity": 18.72, "binding": 13.86, "selectivity": 8.82, "admet": 3.02, "novelty": 4.57, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.723, "fraction": 0.624}, "binding": {"pIC50": 7.31, "LE": 0.27, "potency_term": 0.768, "efficiency_cap": 0.902}, "selectivity": {"fold": 14.1, "selectivity_term": 0.574, "target_engagement": 0.768}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.452, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.097}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.72330774251125, "aff_pf": -1.3051637808481853, "aff_hs": -0.15691682199637094, "repeats_pf": {"runs": 3, "values": [-1.2256, -1.3831, -1.3069], "mean": -1.3052, "spread": 0.1575}, "repeats_hs": {"runs": 3, "values": [-0.0585, -0.3518, -0.0604], "mean": -0.1569, "spread": 0.2933}, "at": 1788269104}, "tier": 1, "alerts": [], "total_sd": 1.067, "total_ci95": [49.822, 53.918], "relegate_reason": [], "submitted_at": 1788264067, "scored_at": 1788269104, "rank": 1779}, {"candidate_id": "ODC-BD9036", "res_at": 1789481250, "skeleton": "XXBNUUXUGDVODG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-NHBridge-NMe-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 51.795, "axes": {"activity": 27.3, "binding": 7.11, "selectivity": 3.2, "admet": 3.92, "novelty": 7.06, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 6.238, "fraction": 0.91}, "binding": {"pIC50": 6.39, "LE": 0.23, "potency_term": 0.463, "efficiency_cap": 0.768}, "selectivity": {"fold": 4.9, "selectivity_term": 0.346, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.224, "novelty": 0.776}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 6.23828480392592, "aff_pf": -0.3887454370657603, "aff_hs": 0.30321847399075824, "repeats_pf": {"runs": 3, "values": [-0.4436, -0.4569, -0.2658], "mean": -0.3887, "spread": 0.1911}, "repeats_hs": {"runs": 3, "values": [0.239, 0.253, 0.4176], "mean": 0.3032, "spread": 0.1786}, "at": 1789481250}, "tier": 1, "alerts": [], "total_sd": 0.729, "total_ci95": [50.238, 53.08], "relegate_reason": [], "submitted_at": 1789481043, "scored_at": 1789481250, "rank": 1780}, {"candidate_id": "ODC-505603", "res_at": 1789268727, "skeleton": "ZUECHGCRBWFISX", "hf_user": "Ku-ku", "display_name": "KK-M-0913-772", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 51.767, "axes": {"activity": 30.0, "binding": 5.73, "selectivity": 1.11, "admet": 3.81, "novelty": 7.32, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.48, "fraction": 1.0}, "binding": {"pIC50": 6.06, "LE": 0.244, "potency_term": 0.352, "efficiency_cap": 0.813}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.352}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.387, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.112, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.736, "herg": 0.05, "dili": 0.094}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 6.4800201121779395, "aff_pf": -0.056547862788041435, "aff_hs": 0.259269654750824, "repeats_pf": {"runs": 3, "values": [0.095, -0.0875, -0.1771], "mean": -0.0565, "spread": 0.2721}, "repeats_hs": {"runs": 3, "values": [0.3622, 0.0956, 0.32], "mean": 0.2593, "spread": 0.2666}, "at": 1789268727}, "tier": 1, "alerts": [], "total_sd": 0.79, "total_ci95": [50.248, 53.188], "relegate_reason": [], "submitted_at": 1789263745, "scored_at": 1789268727, "rank": 1781}, {"candidate_id": "ODC-E55BAD", "res_at": 1787246012, "skeleton": "FCHRWRGZRLWGRF", "hf_user": "1Dmeds", "display_name": "ODC26-R15-20", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 51.765, "axes": {"activity": 19.84, "binding": 13.86, "selectivity": 6.63, "admet": 4.16, "novelty": 4.22, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.79, "fraction": 0.661}, "binding": {"pIC50": 7.08, "LE": 0.404, "potency_term": 0.693, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.315, "herg": 0.381, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.790453143374982, "aff_pf": -1.0786551237106323, "aff_hs": -0.12245213985443115, "repeats_pf": {"runs": 3, "values": [-1.0922, -1.1, -1.0438], "mean": -1.0787, "spread": 0.0563}, "repeats_hs": {"runs": 3, "values": [-0.0452, 0.1427, -0.4648], "mean": -0.1225, "spread": 0.6075}, "at": 1787246012}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238617, "scored_at": 1787246012, "alerts": [], "rank": 1782}, {"candidate_id": "ODC-909506", "res_at": 1786926460, "skeleton": "JNBUNQVLIJODPH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.764, "axes": {"activity": 18.99, "binding": 13.41, "selectivity": 7.25, "admet": 4.98, "novelty": 4.23, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.739, "fraction": 0.633}, "binding": {"pIC50": 7.01, "LE": 0.369, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.565, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.547, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.739498725292768, "aff_pf": -1.0121203859647114, "aff_hs": 0.06956497083107631, "repeats_pf": {"runs": 3, "values": [-0.9942, -1.0348, -1.0074], "mean": -1.0121, "spread": 0.0407}, "repeats_hs": {"runs": 3, "values": [0.2049, 0.0635, -0.0597], "mean": 0.0696, "spread": 0.2646}, "at": 1786926460}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923273, "scored_at": 1786926460, "alerts": [], "rank": 1783}, {"candidate_id": "ODC-A761DC", "res_at": 1786984140, "skeleton": "OOIMTRSQLARONY", "hf_user": "1Dmeds", "display_name": "ODC26-R7-09", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.764, "axes": {"activity": 13.83, "binding": 14.22, "selectivity": 12.02, "admet": 4.43, "novelty": 3.99, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 7.13, "LE": 0.444, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.0, "selectivity_term": 0.845, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.893, "cyp2c9-veith": 0.299, "cyp3a4-substrate-carbonmangels": 0.41, "ld50-zhu": 0.372, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.429826668013059, "aff_pf": -1.1329668362935383, "aff_hs": 0.5576149622599283, "repeats_pf": {"runs": 3, "values": [-1.1239, -1.2048, -1.0702], "mean": -1.133, "spread": 0.1345}, "repeats_hs": {"runs": 3, "values": [0.5242, 0.5928, 0.5559], "mean": 0.5576, "spread": 0.0686}, "at": 1786984140}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980321, "scored_at": 1786984140, "alerts": [], "rank": 1784}, {"candidate_id": "ODC-1303E8", "res_at": 1789530064, "skeleton": "ILBZJWNGMYTVOP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 51.743, "axes": {"activity": 11.54, "binding": 17.87, "selectivity": 9.51, "admet": 5.74, "novelty": 2.68, "synthesis": 4.4}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 7.68, "LE": 0.478, "potency_term": 0.893, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.532, "target_engagement": 0.893}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.382, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.292620645750219, "aff_pf": -1.6804237365722656, "aff_hs": -0.6156430045763651, "repeats_pf": {"runs": 3, "values": [-1.6982, -1.6891, -1.654], "mean": -1.6804, "spread": 0.0441}, "repeats_hs": {"runs": 3, "values": [-0.5388, -0.6201, -0.688], "mean": -0.6156, "spread": 0.1492}, "at": 1789530064}, "tier": 1, "alerts": [], "total_sd": 0.421, "total_ci95": [51.097, 52.617], "relegate_reason": [], "submitted_at": 1789524796, "scored_at": 1789530064, "rank": 1785}, {"candidate_id": "ODC-34D422", "res_at": 1788069442, "skeleton": "FOLBVCKHYQAMMD", "hf_user": "Bio-JS", "display_name": "22 A6 2-CN/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.735, "axes": {"activity": 24.34, "binding": 12.51, "selectivity": 2.86, "admet": 3.12, "novelty": 5.73, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 6.06, "fraction": 0.811}, "binding": {"pIC50": 7.18, "LE": 0.259, "potency_term": 0.725, "efficiency_cap": 0.862}, "selectivity": {"fold": 2.5, "selectivity_term": 0.197, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.122}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.060426676647122, "aff_pf": -1.1753230492273967, "aff_hs": -0.7809638977050781, "repeats_pf": {"runs": 3, "values": [-1.0831, -1.213, -1.2298], "mean": -1.1753, "spread": 0.1466}, "repeats_hs": {"runs": 3, "values": [-0.8902, -0.743, -0.7097], "mean": -0.781, "spread": 0.1805}, "at": 1788069442}, "tier": 1, "alerts": [], "total_sd": 0.598, "total_ci95": [50.698, 52.975], "relegate_reason": [], "submitted_at": 1788017487, "scored_at": 1788069442, "rank": 1786}, {"candidate_id": "ODC-E32F57", "res_at": 1789266226, "skeleton": "WVQJYHGZDLZVEP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.722, "axes": {"activity": 14.03, "binding": 15.32, "selectivity": 11.19, "admet": 3.83, "novelty": 3.83, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 7.3, "LE": 0.4, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.9, "selectivity_term": 0.73, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.323, "cyp2c9-veith": 0.128, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.476, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.441933218563015, "aff_pf": -1.2983978986740112, "aff_hs": 0.16259035468101501, "repeats_pf": {"runs": 3, "values": [-1.2407, -1.4511, -1.2034], "mean": -1.2984, "spread": 0.2476}, "repeats_hs": {"runs": 3, "values": [0.1795, 0.1565, 0.1518], "mean": 0.1626, "spread": 0.0277}, "at": 1789266226}, "tier": 1, "alerts": [], "total_sd": 1.448, "total_ci95": [49.467, 53.805], "relegate_reason": [], "submitted_at": 1789263266, "scored_at": 1789266226, "rank": 1787}, {"candidate_id": "ODC-CD869A", "res_at": 1787492058, "skeleton": "HTIVXDWEPSIBAZ", "hf_user": "takutoyo", "display_name": "PfD15-03", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Si](C··········nc2n1", "total": 51.693, "axes": {"activity": 20.33, "binding": 11.77, "selectivity": 8.89, "admet": 3.94, "novelty": 4.15, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.82, "fraction": 0.678}, "binding": {"pIC50": 6.77, "LE": 0.356, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.5, "selectivity_term": 0.756, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.518, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.339, "herg": 0.05, "dili": 0.319}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.819973586299084, "aff_pf": -0.7650797168413798, "aff_hs": 0.7462624311447144, "repeats_pf": {"runs": 3, "values": [-0.758, -0.8215, -0.7158], "mean": -0.7651, "spread": 0.1057}, "repeats_hs": {"runs": 3, "values": [0.62, 0.9084, 0.7104], "mean": 0.7463, "spread": 0.2884}, "at": 1787492058}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491492, "scored_at": 1787492058, "alerts": [], "rank": 1788}, {"candidate_id": "ODC-38EE77", "res_at": 1788066944, "skeleton": "YYBNIVALESMJNZ", "hf_user": "Bio-JS", "display_name": "24 A6 오쏘 C->N/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.686, "axes": {"activity": 20.36, "binding": 13.99, "selectivity": 6.36, "admet": 3.44, "novelty": 4.75, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.821, "fraction": 0.679}, "binding": {"pIC50": 7.27, "LE": 0.277, "potency_term": 0.758, "efficiency_cap": 0.923}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.457, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.084, "ld50-zhu": 0.666, "herg": 0.05, "dili": 0.084}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.8214117092687125, "aff_pf": -1.2736810048421223, "aff_hs": -0.43406107028325397, "repeats_pf": {"runs": 3, "values": [-1.3102, -1.3128, -1.1981], "mean": -1.2737, "spread": 0.1147}, "repeats_hs": {"runs": 3, "values": [-0.4411, -0.4023, -0.4587], "mean": -0.4341, "spread": 0.0564}, "at": 1788066944}, "tier": 1, "alerts": [], "total_sd": 0.732, "total_ci95": [50.583, 52.787], "relegate_reason": [], "submitted_at": 1788017501, "scored_at": 1788066944, "rank": 1789}, {"candidate_id": "ODC-2980DA", "res_at": 1789577871, "skeleton": "NEMHGROVOADQKZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.684, "axes": {"activity": 13.64, "binding": 14.49, "selectivity": 10.96, "admet": 5.12, "novelty": 4.66, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.17, "LE": 0.364, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.6, "selectivity_term": 0.757, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.332, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.694, "herg": 0.303, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.418533866750753, "aff_pf": -1.1728691657384236, "aff_hs": 0.34054602185885113, "repeats_pf": {"runs": 3, "values": [-1.0853, -1.3547, -1.0786], "mean": -1.1729, "spread": 0.2762}, "repeats_hs": {"runs": 3, "values": [0.3345, 0.2885, 0.3986], "mean": 0.3405, "spread": 0.1101}, "at": 1789577871}, "tier": 1, "alerts": [], "total_sd": 1.63, "total_ci95": [49.232, 54.371], "relegate_reason": [], "submitted_at": 1789571881, "scored_at": 1789577871, "rank": 1790}, {"candidate_id": "ODC-D541C6", "res_at": 1787871813, "skeleton": "XUCTTZONJOKEFQ", "hf_user": "Moonweave", "display_name": "M5AI-F12-AKO-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCOc··········)cc1F", "total": 51.669, "axes": {"activity": 15.54, "binding": 18.1, "selectivity": 4.9, "admet": 3.29, "novelty": 5.79, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 7.71, "LE": 0.341, "potency_term": 0.905, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.271, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.459}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.5323531028120705, "aff_pf": -1.7145322163899739, "aff_hs": -1.1728744109471638, "repeats_pf": {"runs": 3, "values": [-1.6928, -1.6922, -1.7587], "mean": -1.7145, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [-1.2359, -1.086, -1.1967], "mean": -1.1729, "spread": 0.1499}, "at": 1787842337}, "tier": 1, "relegate_reason": [], "submitted_at": 1787790965, "scored_at": 1787842337, "alerts": [], "rank": 1791}, {"candidate_id": "ODC-1B6F12", "res_at": 1786933906, "skeleton": "UYCNTWOTCNGVNN", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.647, "axes": {"activity": 14.92, "binding": 17.07, "selectivity": 7.99, "admet": 5.5, "novelty": 2.46, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 5.495, "fraction": 0.497}, "binding": {"pIC50": 7.56, "LE": 0.398, "potency_term": 0.853, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.468, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.368, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.712, "novelty": 0.288}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.495360591459062, "aff_pf": -1.5597793658574421, "aff_hs": -0.6232007741928101, "repeats_pf": {"runs": 3, "values": [-1.615, -1.5157, -1.5486], "mean": -1.5598, "spread": 0.0992}, "repeats_hs": {"runs": 3, "values": [-0.6777, -0.6236, -0.5684], "mean": -0.6232, "spread": 0.1093}, "at": 1786933906}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926389, "scored_at": 1786933906, "alerts": [], "rank": 1792}, {"candidate_id": "ODC-5BDA69", "res_at": 1787440491, "skeleton": "UFGBSIGRLMOISC", "hf_user": "Ku-ku", "display_name": "Q5_NHEt_bnoxy", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 51.624, "axes": {"activity": 23.14, "binding": 10.17, "selectivity": 6.7, "admet": 2.73, "novelty": 5.28, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.988, "fraction": 0.771}, "binding": {"pIC50": 6.62, "LE": 0.283, "potency_term": 0.539, "efficiency_cap": 0.944}, "selectivity": {"fold": 17.5, "selectivity_term": 0.622, "target_engagement": 0.539}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.342, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.46, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.988287529309042, "aff_pf": -0.6156502167383829, "aff_hs": 0.6279098192850748, "repeats_pf": {"runs": 3, "values": [-0.589, -0.5582, -0.6997], "mean": -0.6157, "spread": 0.1415}, "repeats_hs": {"runs": 3, "values": [0.5424, 0.6637, 0.6776], "mean": 0.6279, "spread": 0.1352}, "at": 1787440491}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438806, "scored_at": 1787440491, "alerts": [], "rank": 1793}, {"candidate_id": "ODC-46A4C7", "res_at": 1789916787, "skeleton": "OLVPBWPRDNRUAZ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.622, "axes": {"activity": 15.25, "binding": 15.0, "selectivity": 10.4, "admet": 5.05, "novelty": 3.11, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.515, "fraction": 0.508}, "binding": {"pIC50": 7.25, "LE": 0.414, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.4, "selectivity_term": 0.694, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.151, "ld50-zhu": 0.544, "herg": 0.05, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "2", "pAct_q10": 5.514869253051108, "aff_pf": -1.2496217489242554, "aff_hs": 0.13776622215906778, "repeats_pf": {"runs": 3, "values": [-1.2112, -1.3509, -1.1868], "mean": -1.2496, "spread": 0.164}, "repeats_hs": {"runs": 3, "values": [-0.0088, 0.2223, 0.1998], "mean": 0.1378, "spread": 0.2311}, "at": 1789916787}, "tier": 1, "alerts": [], "total_sd": 1.127, "total_ci95": [49.774, 54.053], "relegate_reason": [], "submitted_at": 1789889313, "scored_at": 1789916787, "rank": 1794}, {"candidate_id": "ODC-9AB06C", "res_at": 1789313968, "skeleton": "TZKHSRUXZHKZJH", "hf_user": "trblnfxn", "display_name": "NC-BRG-04_MW443_THFO", "model_name": "Hermes-MWBridge-v8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.621, "axes": {"activity": 20.18, "binding": 12.98, "selectivity": 7.32, "admet": 4.48, "novelty": 4.22, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.811, "fraction": 0.673}, "binding": {"pIC50": 6.95, "LE": 0.317, "potency_term": 0.649, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.563, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.639, "cyp2c9-veith": 0.428, "cyp3a4-substrate-carbonmangels": 0.63, "ld50-zhu": 0.568, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 5.810815971631127, "aff_pf": -0.9475895762443542, "aff_hs": 0.17935160299142203, "repeats_pf": {"runs": 3, "values": [-0.9593, -0.9456, -0.9379], "mean": -0.9476, "spread": 0.0214}, "repeats_hs": {"runs": 3, "values": [0.2148, 0.1415, 0.1818], "mean": 0.1794, "spread": 0.0733}, "at": 1789313968}, "tier": 1, "alerts": [], "total_sd": 0.141, "total_ci95": [51.343, 51.895], "relegate_reason": [], "submitted_at": 1789309904, "scored_at": 1789313968, "rank": 1795}, {"candidate_id": "ODC-E91004", "res_at": 1787545963, "skeleton": "XAVLSUURIJBEHO", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.613, "axes": {"activity": 18.76, "binding": 11.63, "selectivity": 11.27, "admet": 2.9, "novelty": 4.17, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.726, "fraction": 0.625}, "binding": {"pIC50": 6.93, "LE": 0.271, "potency_term": 0.643, "efficiency_cap": 0.904}, "selectivity": {"fold": 56.4, "selectivity_term": 0.876, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.467, "hia-hou": 1.0, "bioavailability-ma": 0.833, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.387, "herg": 0.05, "dili": 0.379}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.725664108639051, "aff_pf": -0.929957926273346, "aff_hs": 0.8212340474128723, "repeats_pf": {"runs": 3, "values": [-0.9861, -0.9772, -0.8266], "mean": -0.93, "spread": 0.1595}, "repeats_hs": {"runs": 3, "values": [0.8522, 0.7291, 0.8824], "mean": 0.8212, "spread": 0.1533}, "at": 1787545963}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523294, "scored_at": 1787545963, "alerts": [], "rank": 1796}, {"candidate_id": "ODC-E0223A", "res_at": 1787082990, "skeleton": "ANZNJPXVVVSPJF", "hf_user": "1Dmeds", "display_name": "ODC26-MB-28", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Cl", "total": 51.612, "axes": {"activity": 20.53, "binding": 13.67, "selectivity": 5.39, "admet": 5.02, "novelty": 4.04, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.832, "fraction": 0.684}, "binding": {"pIC50": 7.05, "LE": 0.42, "potency_term": 0.683, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.394, "target_engagement": 0.683}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 0.823, "ld50-zhu": 0.328, "herg": 0.692, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.831774570676256, "aff_pf": -1.0504131714502971, "aff_hs": -0.2615186373392741, "repeats_pf": {"runs": 3, "values": [-1.1513, -0.9524, -1.0476], "mean": -1.0504, "spread": 0.1989}, "repeats_hs": {"runs": 3, "values": [-0.1668, -0.1645, -0.4533], "mean": -0.2615, "spread": 0.2888}, "at": 1787082990}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069795, "scored_at": 1787082990, "alerts": [], "rank": 1797}, {"candidate_id": "ODC-6EB2B1", "res_at": 1789205747, "skeleton": "CPEHVEHBPYMEBW", "hf_user": "Bio-JS", "display_name": "0912-S1-core_pyrrolo", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 51.612, "axes": {"activity": 5.6, "binding": 18.91, "selectivity": 9.92, "admet": 7.06, "novelty": 6.3, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 4.936, "fraction": 0.187}, "binding": {"pIC50": 7.84, "LE": 0.467, "potency_term": 0.945, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.945}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.569, "ld50-zhu": 0.396, "herg": 0.942, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 4.936181815433483, "aff_pf": -1.8364524046579997, "aff_hs": -0.7874913811683655, "repeats_pf": {"runs": 3, "values": [-1.8296, -1.8437, -1.8361], "mean": -1.8365, "spread": 0.0142}, "repeats_hs": {"runs": 3, "values": [-0.7783, -0.7376, -0.8466], "mean": -0.7875, "spread": 0.109}, "at": 1789205747}, "tier": 1, "alerts": [], "total_sd": 0.256, "total_ci95": [51.109, 52.078], "relegate_reason": [], "submitted_at": 1789177527, "scored_at": 1789205747, "rank": 1798}, {"candidate_id": "ODC-94CE63", "res_at": 1789928183, "skeleton": "KUUHIRQYQLHINM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.594, "axes": {"activity": 13.03, "binding": 17.71, "selectivity": 6.52, "admet": 5.94, "novelty": 4.72, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 7.66, "LE": 0.403, "potency_term": 0.885, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.368, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.351, "cyp3a4-substrate-carbonmangels": 0.305, "ld50-zhu": 0.624, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.381771057508198, "aff_pf": -1.6560258467992146, "aff_hs": -0.9200178782145182, "repeats_pf": {"runs": 3, "values": [-1.6674, -1.6458, -1.6549], "mean": -1.656, "spread": 0.0217}, "repeats_hs": {"runs": 3, "values": [-0.9151, -0.9285, -0.9164], "mean": -0.92, "spread": 0.0134}, "at": 1789928183}, "tier": 1, "alerts": [], "total_sd": 0.128, "total_ci95": [51.356, 51.861], "relegate_reason": [], "submitted_at": 1789919047, "scored_at": 1789928183, "rank": 1799}, {"candidate_id": "ODC-81C8CE", "res_at": 1787046101, "skeleton": "DTQUQKWLKYJUMY", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.591, "axes": {"activity": 19.8, "binding": 14.29, "selectivity": 6.29, "admet": 4.56, "novelty": 3.57, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.788, "fraction": 0.66}, "binding": {"pIC50": 7.14, "LE": 0.425, "potency_term": 0.714, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.376, "herg": 0.55, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.787747322689205, "aff_pf": -1.1427971522013347, "aff_hs": -0.26158813138802844, "repeats_pf": {"runs": 3, "values": [-1.4079, -1.3536, -0.6669], "mean": -1.1428, "spread": 0.741}, "repeats_hs": {"runs": 3, "values": [-0.3656, -0.2525, -0.1667], "mean": -0.2616, "spread": 0.1989}, "at": 1787046101}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039475, "scored_at": 1787046101, "alerts": [], "rank": 1800}, {"candidate_id": "ODC-E58392", "res_at": 1788969175, "skeleton": "JXQVYJFFBHXXGA", "hf_user": "Ku-ku", "display_name": "KK-M-0910-257", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 51.579, "axes": {"activity": 23.17, "binding": 9.41, "selectivity": 5.82, "admet": 4.75, "novelty": 5.28, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.99, "fraction": 0.772}, "binding": {"pIC50": 6.41, "LE": 0.314, "potency_term": 0.471, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.2, "selectivity_term": 0.618, "target_engagement": 0.471}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.936, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.990270901062372, "aff_pf": -0.4121644099553426, "aff_hs": 0.8239266077677408, "repeats_pf": {"runs": 3, "values": [-0.433, -0.3677, -0.4358], "mean": -0.4122, "spread": 0.0681}, "repeats_hs": {"runs": 3, "values": [0.9699, 0.8052, 0.6966], "mean": 0.8239, "spread": 0.2733}, "at": 1788969175}, "tier": 1, "alerts": [], "total_sd": 0.391, "total_ci95": [50.821, 52.368], "relegate_reason": [], "submitted_at": 1788967907, "scored_at": 1788969175, "rank": 1801}, {"candidate_id": "ODC-1055C6", "res_at": 1789303597, "skeleton": "IMMPWSRPBTZFAR", "hf_user": "trblnfxn", "display_name": "NC-WIN-02_THPEthO", "model_name": "Hermes-500Da-Champion-v7", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.572, "axes": {"activity": 24.75, "binding": 9.27, "selectivity": 4.01, "admet": 4.83, "novelty": 5.21, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.085, "fraction": 0.825}, "binding": {"pIC50": 6.54, "LE": 0.271, "potency_term": 0.512, "efficiency_cap": 0.905}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.512}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.356, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.559, "ld50-zhu": 0.793, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 6.085259215069769, "aff_pf": -0.5374596118927002, "aff_hs": 0.24571300546328226, "repeats_pf": {"runs": 3, "values": [-0.5333, -0.5792, -0.4999], "mean": -0.5375, "spread": 0.0793}, "repeats_hs": {"runs": 3, "values": [0.2863, 0.2139, 0.237], "mean": 0.2457, "spread": 0.0724}, "at": 1789303597}, "tier": 1, "alerts": [], "total_sd": 0.293, "total_ci95": [51.047, 52.127], "relegate_reason": [], "submitted_at": 1789299091, "scored_at": 1789303597, "rank": 1802}, {"candidate_id": "ODC-002226", "res_at": 1787457124, "skeleton": "NRXMNHZXEVLHRE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.564, "axes": {"activity": 17.6, "binding": 14.31, "selectivity": 8.83, "admet": 4.18, "novelty": 3.7, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.656, "fraction": 0.587}, "binding": {"pIC50": 7.15, "LE": 0.408, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.1, "selectivity_term": 0.617, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.461, "herg": 0.456, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.656205089298828, "aff_pf": -1.146612326304118, "aff_hs": 0.08702711512645085, "repeats_pf": {"runs": 3, "values": [-1.1283, -1.1633, -1.1483], "mean": -1.1466, "spread": 0.035}, "repeats_hs": {"runs": 3, "values": [0.0145, 0.093, 0.1536], "mean": 0.087, "spread": 0.1391}, "at": 1787457124}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453429, "scored_at": 1787457124, "alerts": [], "rank": 1803}, {"candidate_id": "ODC-A785DC", "res_at": 1787047341, "skeleton": "SQPDBLUMDKTHSA", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.559, "axes": {"activity": 24.59, "binding": 9.72, "selectivity": 2.95, "admet": 6.35, "novelty": 4.24, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.076, "fraction": 0.82}, "binding": {"pIC50": 6.46, "LE": 0.369, "potency_term": 0.486, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.486}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.616, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.315, "herg": 0.895, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 6.075633675827913, "aff_pf": -0.4584485590457916, "aff_hs": 0.14919169743855795, "repeats_pf": {"runs": 3, "values": [-0.4853, -0.3893, -0.5007], "mean": -0.4584, "spread": 0.1115}, "repeats_hs": {"runs": 3, "values": [0.1529, 0.183, 0.1116], "mean": 0.1492, "spread": 0.0714}, "at": 1787047341}, "tier": 1, "relegate_reason": [], "submitted_at": 1787041264, "scored_at": 1787047341, "alerts": [], "rank": 1804}, {"candidate_id": "ODC-06372C", "res_at": 1789436875, "skeleton": "LBDVAHUBYVZRQT", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.548, "axes": {"activity": 11.79, "binding": 17.52, "selectivity": 7.58, "admet": 6.46, "novelty": 4.46, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 7.63, "LE": 0.435, "potency_term": 0.876, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.433, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.307663427656866, "aff_pf": -1.6287409861882527, "aff_hs": -0.7637016971906027, "repeats_pf": {"runs": 3, "values": [-1.6073, -1.6325, -1.6465], "mean": -1.6287, "spread": 0.0392}, "repeats_hs": {"runs": 3, "values": [-0.8102, -0.9697, -0.5112], "mean": -0.7637, "spread": 0.4585}, "at": 1789436875}, "tier": 1, "alerts": [], "total_sd": 1.032, "total_ci95": [49.905, 53.969], "relegate_reason": [], "submitted_at": 1789435287, "scored_at": 1789436875, "rank": 1805}, {"candidate_id": "ODC-6EED2D", "res_at": 1787584417, "skeleton": "QRVUYCDEITUCDE", "hf_user": "takutoyo", "display_name": "PfD17-12", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.546, "axes": {"activity": 24.52, "binding": 12.07, "selectivity": 3.93, "admet": 4.39, "novelty": 4.72, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 6.071, "fraction": 0.817}, "binding": {"pIC50": 6.81, "LE": 0.301, "potency_term": 0.603, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.603}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.46, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.354, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.906, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 6.07148718449035, "aff_pf": -0.8102660377820333, "aff_hs": -0.15951023995876312, "repeats_pf": {"runs": 3, "values": [-0.8857, -0.7824, -0.7628], "mean": -0.8103, "spread": 0.1229}, "repeats_hs": {"runs": 3, "values": [-0.2712, 0.1295, -0.3368], "mean": -0.1595, "spread": 0.4663}, "at": 1787584417}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581769, "scored_at": 1787584417, "alerts": [], "rank": 1806}, {"candidate_id": "ODC-C40EF3", "res_at": 1787382881, "skeleton": "BRUCFOHOEQVFHR", "hf_user": "Ku-ku", "display_name": "Y7_arm_direct", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········nc2n1", "total": 51.546, "axes": {"activity": 24.86, "binding": 7.45, "selectivity": 5.48, "admet": 4.28, "novelty": 5.7, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.092, "fraction": 0.829}, "binding": {"pIC50": 6.19, "LE": 0.283, "potency_term": 0.396, "efficiency_cap": 0.942}, "selectivity": {"fold": 24.3, "selectivity_term": 0.693, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.188, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 6.091735697214963, "aff_pf": -0.18661687274773917, "aff_hs": 1.1997483174006145, "repeats_pf": {"runs": 3, "values": [-0.181, -0.1899, -0.189], "mean": -0.1866, "spread": 0.0089}, "repeats_hs": {"runs": 3, "values": [1.1888, 1.234, 1.1765], "mean": 1.1997, "spread": 0.0576}, "at": 1787382881}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381503, "scored_at": 1787382881, "alerts": [], "rank": 1807}, {"candidate_id": "ODC-EC70E9", "res_at": 1786842890, "skeleton": "QGVMNWIVBZNAHS", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.545, "axes": {"activity": 10.32, "binding": 15.0, "selectivity": 12.92, "admet": 6.79, "novelty": 3.82, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 7.25, "LE": 0.451, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.8, "selectivity_term": 0.861, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.668, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.681, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.472, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.219147898497726, "aff_pf": -1.2497401237487793, "aff_hs": 0.47282740473747253, "repeats_pf": {"runs": 3, "values": [-1.2659, -1.2451, -1.2382], "mean": -1.2497, "spread": 0.0277}, "repeats_hs": {"runs": 3, "values": [0.666, 0.1074, 0.6451], "mean": 0.4728, "spread": 0.5587}, "at": 1786842890}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808584, "scored_at": 1786842890, "alerts": [], "rank": 1808}, {"candidate_id": "ODC-F87A20", "res_at": 1789967285, "skeleton": "RBHFMXILOQPBCZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.544, "axes": {"activity": 15.57, "binding": 15.67, "selectivity": 8.44, "admet": 4.39, "novelty": 3.98, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.534, "fraction": 0.519}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.784, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.539, "target_engagement": 0.784}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.682, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.659, "herg": 0.087, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.533974946889474, "aff_pf": -1.3511794805526733, "aff_hs": -0.27385588983694714, "repeats_pf": {"runs": 3, "values": [-1.323, -1.3042, -1.4263], "mean": -1.3512, "spread": 0.1221}, "repeats_hs": {"runs": 3, "values": [-0.1335, -0.3259, -0.3621], "mean": -0.2739, "spread": 0.2286}, "at": 1789967285}, "tier": 1, "alerts": [], "total_sd": 0.855, "total_ci95": [50.255, 53.301], "relegate_reason": [], "submitted_at": 1789918808, "scored_at": 1789967285, "rank": 1809}, {"candidate_id": "ODC-A16193", "res_at": 1789915167, "skeleton": "KOLNHFUGTJCOSI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.503, "axes": {"activity": 14.12, "binding": 15.51, "selectivity": 7.93, "admet": 6.06, "novelty": 4.8, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.471}, "binding": {"pIC50": 7.33, "LE": 0.418, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.449, "ld50-zhu": 0.624, "herg": 0.335, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "2", "pAct_q10": 5.447148069359492, "aff_pf": -1.3258321285247803, "aff_hs": -0.30300870537757874, "repeats_pf": {"runs": 3, "values": [-1.3016, -1.3584, -1.3174], "mean": -1.3258, "spread": 0.0568}, "repeats_hs": {"runs": 3, "values": [-0.3333, -0.1929, -0.3829], "mean": -0.303, "spread": 0.19}, "at": 1789915167}, "tier": 1, "alerts": [], "total_sd": 0.468, "total_ci95": [50.568, 52.449], "relegate_reason": [], "submitted_at": 1789876199, "scored_at": 1789915167, "rank": 1810}, {"candidate_id": "ODC-AC6054", "res_at": 1788264123, "skeleton": "RIIDPLPCPQPCNI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.5, "axes": {"activity": 16.72, "binding": 12.86, "selectivity": 10.23, "admet": 4.57, "novelty": 4.41, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.93, "LE": 0.38, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.0, "selectivity_term": 0.795, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.964, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.494, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.517, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.60338637677429, "aff_pf": -0.9294410149256388, "aff_hs": 0.6613170107205709, "repeats_pf": {"runs": 3, "values": [-0.9164, -0.987, -0.8849], "mean": -0.9294, "spread": 0.1021}, "repeats_hs": {"runs": 3, "values": [0.5921, 0.6681, 0.7238], "mean": 0.6613, "spread": 0.1317}, "at": 1788264123}, "tier": 1, "alerts": [], "total_sd": 0.657, "total_ci95": [50.394, 52.919], "relegate_reason": [], "submitted_at": 1788223286, "scored_at": 1788264123, "rank": 1811}, {"candidate_id": "ODC-3CBE21", "res_at": 1789208185, "skeleton": "LIBMCRAQQIIGSM", "hf_user": "Bio-JS", "display_name": "0912-S1-x2CCS_anilCHF2F", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.488, "axes": {"activity": 16.02, "binding": 15.59, "selectivity": 6.43, "admet": 5.49, "novelty": 4.53, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.34, "LE": 0.419, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.902, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.847, "ld50-zhu": 0.424, "herg": 0.319, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.5612516393441735, "aff_pf": -1.3382922808329265, "aff_hs": -0.5130044917265574, "repeats_pf": {"runs": 3, "values": [-1.3077, -1.3183, -1.3889], "mean": -1.3383, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [-0.3231, -0.6101, -0.6058], "mean": -0.513, "spread": 0.287}, "at": 1789208185}, "tier": 1, "alerts": [], "total_sd": 0.803, "total_ci95": [50.132, 53.409], "relegate_reason": [], "submitted_at": 1789177543, "scored_at": 1789208185, "rank": 1812}, {"candidate_id": "ODC-7559AD", "res_at": 1786903971, "skeleton": "VCMYNMMPBXVBJN", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "anthropic/claude-opus-5 (Claude Code + RDKit / AutoDock Vina pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.469, "axes": {"activity": 13.73, "binding": 16.39, "selectivity": 10.04, "admet": 4.97, "novelty": 2.63, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 7.46, "LE": 0.393, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.613, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.484, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.353, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.42362273506835, "aff_pf": -1.4583606322606404, "aff_hs": -0.2332954853773117, "repeats_pf": {"runs": 3, "values": [-1.4928, -1.4818, -1.4004], "mean": -1.4584, "spread": 0.0924}, "repeats_hs": {"runs": 3, "values": [-0.2584, -0.2853, -0.1562], "mean": -0.2333, "spread": 0.1292}, "at": 1786903971}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891275, "scored_at": 1786903971, "alerts": [], "rank": 1813}, {"candidate_id": "ODC-5735A4", "res_at": 1786786370, "skeleton": "JNPVBCWRYHYJAE", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "GPT-5.6 Sol, Claude-Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 51.454, "axes": {"activity": 13.04, "binding": 14.7, "selectivity": 11.69, "admet": 5.45, "novelty": 3.21, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.435}, "binding": {"pIC50": 7.21, "LE": 0.429, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.9, "selectivity_term": 0.795, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.203, "cyp3a4-substrate-carbonmangels": 0.782, "ld50-zhu": 0.522, "herg": 0.481, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.382185400569745, "aff_pf": -1.2055539687474568, "aff_hs": 0.3838476936022441, "repeats_pf": {"runs": 3, "values": [-1.1979, -1.2434, -1.1754], "mean": -1.2056, "spread": 0.068}, "repeats_hs": {"runs": 3, "values": [0.3494, 0.399, 0.4032], "mean": 0.3838, "spread": 0.0538}, "at": 1786786370}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780922, "scored_at": 1786786370, "alerts": [], "rank": 1814}, {"candidate_id": "ODC-E234FE", "res_at": 1786833829, "skeleton": "JYXKBJSFQYVVMM", "hf_user": "scala39", "display_name": "Scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.444, "axes": {"activity": 11.45, "binding": 17.43, "selectivity": 10.02, "admet": 4.92, "novelty": 3.39, "synthesis": 4.24}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 7.61, "LE": 0.454, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.575, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.2869295648260515, "aff_pf": -1.6141812403996785, "aff_hs": -0.4641139805316925, "repeats_pf": {"runs": 3, "values": [-1.6946, -1.5874, -1.5605], "mean": -1.6142, "spread": 0.1341}, "repeats_hs": {"runs": 3, "values": [-0.4192, -0.4816, -0.4915], "mean": -0.4641, "spread": 0.0723}, "at": 1786833829}, "tier": 1, "relegate_reason": [], "submitted_at": 1786799587, "scored_at": 1786833829, "alerts": [], "rank": 1815}, {"candidate_id": "ODC-A4A733", "res_at": 1787517729, "skeleton": "PCXCTQRLUQXAAZ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-ZEN01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 51.443, "axes": {"activity": 20.83, "binding": 14.42, "selectivity": 4.9, "admet": 3.8, "novelty": 4.59, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.85, "fraction": 0.694}, "binding": {"pIC50": 7.16, "LE": 0.363, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.43, "ld50-zhu": 0.673, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.849749933348757, "aff_pf": -1.16320804754893, "aff_hs": -0.48362866044044495, "repeats_pf": {"runs": 3, "values": [-1.1162, -1.1362, -1.2372], "mean": -1.1632, "spread": 0.121}, "repeats_hs": {"runs": 3, "values": [-0.5073, -0.4676, -0.4759], "mean": -0.4836, "spread": 0.0397}, "at": 1787517729}, "tier": 1, "relegate_reason": [], "submitted_at": 1787517536, "scored_at": 1787517729, "alerts": [], "rank": 1816}, {"candidate_id": "ODC-C77BEB", "res_at": 1787527836, "skeleton": "JQZHXQBTGMGSDS", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.439, "axes": {"activity": 18.57, "binding": 11.26, "selectivity": 12.15, "admet": 2.57, "novelty": 4.05, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.714, "fraction": 0.619}, "binding": {"pIC50": 6.92, "LE": 0.263, "potency_term": 0.641, "efficiency_cap": 0.878}, "selectivity": {"fold": 78.5, "selectivity_term": 0.947, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.38, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.163, "ld50-zhu": 0.416, "herg": 0.05, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.714182819488717, "aff_pf": -0.9238028526306152, "aff_hs": 0.9710507392883301, "repeats_pf": {"runs": 3, "values": [-0.8453, -0.9623, -0.9637], "mean": -0.9238, "spread": 0.1184}, "repeats_hs": {"runs": 3, "values": [0.9636, 0.9541, 0.9955], "mean": 0.9711, "spread": 0.0414}, "at": 1787527836}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523274, "scored_at": 1787527836, "alerts": [], "rank": 1817}, {"candidate_id": "ODC-CB84E4", "res_at": 1787708068, "skeleton": "ZCSINBWYIKYECF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 51.417, "axes": {"activity": 27.65, "binding": 6.46, "selectivity": 0.45, "admet": 8.28, "novelty": 7.07, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 6.259, "fraction": 0.922}, "binding": {"pIC50": 6.11, "LE": 0.262, "potency_term": 0.37, "efficiency_cap": 0.872}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.66, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 0.772, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.949}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.85}}, "run": {"gpu": "3", "pAct_q10": 6.2589176581568875, "aff_pf": -0.11129442850748698, "aff_hs": 0.010564578076203665, "repeats_pf": {"runs": 3, "values": [-0.0972, 0.2132, -0.4499], "mean": -0.1113, "spread": 0.6631}, "repeats_hs": {"runs": 3, "values": [0.1757, 0.0539, -0.198], "mean": 0.0106, "spread": 0.3737}, "at": 1787708068}, "tier": 1, "relegate_reason": [], "submitted_at": 1787705756, "scored_at": 1787708068, "alerts": [], "rank": 1818}, {"candidate_id": "ODC-157DE1", "res_at": 1787324264, "skeleton": "UXPRWQXQHJBPGG", "hf_user": "Ku-ku", "display_name": "F_4I_3CHF2", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.408, "axes": {"activity": 16.16, "binding": 15.23, "selectivity": 7.96, "admet": 5.1, "novelty": 3.81, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.28, "LE": 0.399, "potency_term": 0.762, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.522, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.745, "ld50-zhu": 0.467, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.5697667110261095, "aff_pf": -1.2847358385721843, "aff_hs": -0.23979888359705606, "repeats_pf": {"runs": 3, "values": [-1.2569, -1.3112, -1.2862], "mean": -1.2847, "spread": 0.0543}, "repeats_hs": {"runs": 3, "values": [-0.1876, -0.236, -0.2959], "mean": -0.2398, "spread": 0.1083}, "at": 1787324264}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322698, "scored_at": 1787324264, "alerts": [], "rank": 1819}, {"candidate_id": "ODC-AF78A5", "res_at": 1789440134, "skeleton": "VSLOAOBJMYQGPX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 51.4, "axes": {"activity": 12.8, "binding": 17.04, "selectivity": 5.98, "admet": 6.32, "novelty": 5.64, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 7.56, "LE": 0.414, "potency_term": 0.852, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.852}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.637, "cyp3a4-substrate-carbonmangels": 0.407, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.368112891312543, "aff_pf": -1.5565234820048015, "aff_hs": -0.8546834786732992, "repeats_pf": {"runs": 3, "values": [-1.3874, -1.4444, -1.8378], "mean": -1.5565, "spread": 0.4504}, "repeats_hs": {"runs": 3, "values": [-0.8131, -0.8769, -0.874], "mean": -0.8547, "spread": 0.0638}, "at": 1789440134}, "tier": 1, "alerts": [], "total_sd": 2.699, "total_ci95": [47.5, 55.213], "relegate_reason": [], "submitted_at": 1789435818, "scored_at": 1789440134, "rank": 1820}, {"candidate_id": "ODC-984455", "res_at": 1786936926, "skeleton": "NRERGFJEEUVKIA", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 51.379, "axes": {"activity": 14.25, "binding": 15.47, "selectivity": 10.34, "admet": 4.67, "novelty": 3.42, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.32, "LE": 0.371, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.7, "selectivity_term": 0.668, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.89, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.406, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.454873606384713, "aff_pf": -1.320709188779195, "aff_hs": 0.016127248605092365, "repeats_pf": {"runs": 3, "values": [-1.332, -1.3277, -1.3025], "mean": -1.3207, "spread": 0.0295}, "repeats_hs": {"runs": 3, "values": [0.1373, 0.0397, -0.1286], "mean": 0.0161, "spread": 0.2659}, "at": 1786936926}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926447, "scored_at": 1786936926, "alerts": [], "rank": 1821}, {"candidate_id": "ODC-116480", "res_at": 1786925492, "skeleton": "PMIZQJAXTJKZGN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.377, "axes": {"activity": 16.67, "binding": 14.02, "selectivity": 8.19, "admet": 4.97, "novelty": 4.46, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.6, "fraction": 0.556}, "binding": {"pIC50": 7.1, "LE": 0.423, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.7, "selectivity_term": 0.584, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.406, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 0.5, "herg": 0.255, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "1", "pAct_q10": 5.600154015391008, "aff_pf": -1.1031092007954915, "aff_hs": 0.06458495184779167, "repeats_pf": {"runs": 3, "values": [-1.0892, -1.1043, -1.1158], "mean": -1.1031, "spread": 0.0266}, "repeats_hs": {"runs": 3, "values": [0.2009, 0.0516, -0.0587], "mean": 0.0646, "spread": 0.2596}, "at": 1786925492}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923261, "scored_at": 1786925492, "alerts": [], "rank": 1822}, {"candidate_id": "ODC-55AD57", "res_at": 1786926833, "skeleton": "NWKPQTGBYRKSBP", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.368, "axes": {"activity": 12.99, "binding": 13.44, "selectivity": 13.44, "admet": 5.34, "novelty": 3.36, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 7.02, "LE": 0.4, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 116.6, "selectivity_term": 1.0, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.479, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.541, "herg": 0.605, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.379155239502796, "aff_pf": -1.0155847072601318, "aff_hs": 1.0512274901072185, "repeats_pf": {"runs": 3, "values": [-0.9933, -1.0201, -1.0333], "mean": -1.0156, "spread": 0.04}, "repeats_hs": {"runs": 3, "values": [1.1144, 0.9775, 1.0618], "mean": 1.0512, "spread": 0.1368}, "at": 1786926833}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923286, "scored_at": 1786926833, "alerts": [], "rank": 1823}, {"candidate_id": "ODC-7450FC", "res_at": 1787516500, "skeleton": "AWEZZPAMQNEYFU", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SUP01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 51.34, "axes": {"activity": 20.7, "binding": 13.97, "selectivity": 4.79, "admet": 4.74, "novelty": 4.32, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.842, "fraction": 0.69}, "binding": {"pIC50": 7.1, "LE": 0.36, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.343, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.789, "ld50-zhu": 0.598, "herg": 0.184, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.841805008496396, "aff_pf": -1.0957133372624714, "aff_hs": -0.4097458819548289, "repeats_pf": {"runs": 3, "values": [-1.1351, -1.0806, -1.0715], "mean": -1.0957, "spread": 0.0637}, "repeats_hs": {"runs": 3, "values": [-0.4231, -0.4255, -0.3806], "mean": -0.4097, "spread": 0.0448}, "at": 1787516500}, "tier": 1, "relegate_reason": [], "submitted_at": 1787516320, "scored_at": 1787516500, "alerts": [], "rank": 1824}, {"candidate_id": "ODC-C1E431", "res_at": 1786927960, "skeleton": "QLMZSOZLHASZKR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-009 diagnostic 80-target", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.325, "axes": {"activity": 13.66, "binding": 16.7, "selectivity": 8.78, "admet": 4.52, "novelty": 4.1, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.455}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.233, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.655, "herg": 0.227, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.419598345314791, "aff_pf": -1.5046769777933757, "aff_hs": -0.4534154037634532, "repeats_pf": {"runs": 3, "values": [-1.5398, -1.5043, -1.4699], "mean": -1.5047, "spread": 0.0699}, "repeats_hs": {"runs": 3, "values": [-0.408, -0.5322, -0.4201], "mean": -0.4534, "spread": 0.1242}, "at": 1786927960}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924476, "scored_at": 1786927960, "alerts": [], "rank": 1825}, {"candidate_id": "ODC-BA374F", "res_at": 1789201399, "skeleton": "CZJCTHDBSBPALV", "hf_user": "Bio-JS", "display_name": "0912-S1-x5_OC", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 51.318, "axes": {"activity": 14.58, "binding": 15.47, "selectivity": 8.91, "admet": 5.13, "novelty": 3.8, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 7.32, "LE": 0.418, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.576, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.434, "herg": 0.304, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.474990297902706, "aff_pf": -1.3206186691919963, "aff_hs": -0.16940446694691977, "repeats_pf": {"runs": 3, "values": [-1.3434, -1.3235, -1.2949], "mean": -1.3206, "spread": 0.0484}, "repeats_hs": {"runs": 3, "values": [-0.2559, -0.1611, -0.0913], "mean": -0.1694, "spread": 0.1646}, "at": 1789201399}, "tier": 1, "alerts": [], "total_sd": 0.396, "total_ci95": [50.516, 51.991], "relegate_reason": [], "submitted_at": 1789177503, "scored_at": 1789201399, "rank": 1826}, {"candidate_id": "ODC-A6DDE1", "res_at": 1789620631, "skeleton": "CTEJDDPFXXECHH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.316, "axes": {"activity": 22.3, "binding": 13.55, "selectivity": 3.41, "admet": 4.72, "novelty": 4.07, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.938, "fraction": 0.743}, "binding": {"pIC50": 7.03, "LE": 0.371, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.252, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.26, "cyp3a4-substrate-carbonmangels": 0.426, "ld50-zhu": 0.483, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.938198751987636, "aff_pf": -1.0332229534784954, "aff_hs": -0.5295296708742777, "repeats_pf": {"runs": 3, "values": [-1.0154, -1.1297, -0.9546], "mean": -1.0332, "spread": 0.1751}, "repeats_hs": {"runs": 3, "values": [-0.4902, -0.5893, -0.5091], "mean": -0.5295, "spread": 0.0992}, "at": 1789620631}, "tier": 1, "alerts": [], "total_sd": 0.654, "total_ci95": [50.188, 52.761], "relegate_reason": [], "submitted_at": 1789618838, "scored_at": 1789620631, "rank": 1827}, {"candidate_id": "ODC-B7F6E4", "res_at": 1788419178, "skeleton": "RYQVOFZOOUIEOX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-OV32", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 51.312, "axes": {"activity": 30.0, "binding": 7.78, "selectivity": 0.0, "admet": 3.66, "novelty": 7.18, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 6.725, "fraction": 1.0}, "binding": {"pIC50": 6.37, "LE": 0.256, "potency_term": 0.455, "efficiency_cap": 0.855}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.455}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.066, "caco2-wang": 0.453, "hia-hou": 1.0, "bioavailability-ma": 0.646, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.877, "herg": 0.081, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 4.12}}, "run": {"gpu": "3", "pAct_q10": 6.7248368880797695, "aff_pf": -0.3654379645983378, "aff_hs": -0.5577846864859263, "repeats_pf": {"runs": 3, "values": [-0.5114, -0.387, -0.1979], "mean": -0.3654, "spread": 0.3135}, "repeats_hs": {"runs": 3, "values": [-0.6646, -0.4933, -0.5155], "mean": -0.5578, "spread": 0.1713}, "at": 1788419178}, "tier": 1, "alerts": [], "total_sd": 0.503, "total_ci95": [50.177, 52.341], "relegate_reason": [], "submitted_at": 1788359376, "scored_at": 1788419178, "rank": 1828}, {"candidate_id": "ODC-4AB332", "res_at": 1787911515, "skeleton": "NVNORPXLGWADRL", "hf_user": "Bio-JS", "display_name": "B1 메타-Cl x 옥세탄/메틸/설폰 (음의 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.277, "axes": {"activity": 17.93, "binding": 13.16, "selectivity": 9.66, "admet": 3.33, "novelty": 4.53, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.676, "fraction": 0.598}, "binding": {"pIC50": 7.22, "LE": 0.267, "potency_term": 0.739, "efficiency_cap": 0.891}, "selectivity": {"fold": 20.3, "selectivity_term": 0.654, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.454, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.337, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.476, "herg": 0.05, "dili": 0.316}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.675762830543153, "aff_pf": -1.2160338163375854, "aff_hs": 0.09142076472441356, "repeats_pf": {"runs": 3, "values": [-1.3111, -1.2561, -1.0809], "mean": -1.216, "spread": 0.2301}, "repeats_hs": {"runs": 3, "values": [-0.0092, 0.1663, 0.1171], "mean": 0.0914, "spread": 0.1755}, "at": 1787911515}, "tier": 1, "relegate_reason": [], "submitted_at": 1787897145, "scored_at": 1787911515, "alerts": [], "rank": 1829}, {"candidate_id": "ODC-DD1D9A", "res_at": 1787906125, "skeleton": "LPLGNHFZYXVPFJ", "hf_user": "Ku-ku", "display_name": "KK-M-0828-P3", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 51.267, "axes": {"activity": 8.03, "binding": 17.11, "selectivity": 12.29, "admet": 4.61, "novelty": 5.9, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.082, "fraction": 0.268}, "binding": {"pIC50": 7.57, "LE": 0.384, "potency_term": 0.856, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.856}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.862, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.081742236448379, "aff_pf": -1.5670567750930786, "aff_hs": -0.13059628506501517, "repeats_pf": {"runs": 3, "values": [-1.6386, -1.5307, -1.5319], "mean": -1.5671, "spread": 0.108}, "repeats_hs": {"runs": 3, "values": [-0.0122, -0.1774, -0.2022], "mean": -0.1306, "spread": 0.19}, "at": 1787906125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787893484, "scored_at": 1787906125, "alerts": [], "rank": 1830}, {"candidate_id": "ODC-AC3E73", "res_at": 1789315427, "skeleton": "JYBYHMLOGFMOTB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.259, "axes": {"activity": 17.5, "binding": 14.24, "selectivity": 7.53, "admet": 5.06, "novelty": 3.8, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.65, "fraction": 0.583}, "binding": {"pIC50": 7.14, "LE": 0.376, "potency_term": 0.712, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.712}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.788, "ld50-zhu": 0.53, "herg": 0.289, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.650141430133394, "aff_pf": -1.1363763014475505, "aff_hs": -0.0795581042766571, "repeats_pf": {"runs": 3, "values": [-1.1386, -1.1529, -1.1176], "mean": -1.1364, "spread": 0.0353}, "repeats_hs": {"runs": 3, "values": [-0.1689, -0.0544, -0.0154], "mean": -0.0796, "spread": 0.1535}, "at": 1789315427}, "tier": 1, "alerts": [], "total_sd": 0.318, "total_ci95": [50.56, 51.802], "relegate_reason": [], "submitted_at": 1789311418, "scored_at": 1789315427, "rank": 1831}, {"candidate_id": "ODC-FFFF38", "res_at": 1788327967, "skeleton": "NKNAERZGWFBHDO", "hf_user": "Bio-JS", "display_name": "0902C-S1-01", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 51.256, "axes": {"activity": 15.73, "binding": 14.76, "selectivity": 9.42, "admet": 3.25, "novelty": 5.19, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.544, "fraction": 0.524}, "binding": {"pIC50": 7.37, "LE": 0.28, "potency_term": 0.79, "efficiency_cap": 0.935}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.543739016972319, "aff_pf": -1.368894338607788, "aff_hs": -0.17576448122660318, "repeats_pf": {"runs": 3, "values": [-1.3235, -1.4389, -1.3443], "mean": -1.3689, "spread": 0.1154}, "repeats_hs": {"runs": 3, "values": [-0.2993, 0.0241, -0.2521], "mean": -0.1758, "spread": 0.3234}, "at": 1788327967}, "tier": 1, "alerts": [], "total_sd": 0.965, "total_ci95": [49.531, 53.022], "relegate_reason": [], "submitted_at": 1788327278, "scored_at": 1788327967, "rank": 1832}, {"candidate_id": "ODC-2E92FD", "res_at": 1788575880, "skeleton": "OCBOFGRFPIULAD", "hf_user": "Bio-JS", "display_name": "0905-S1-15 SMe/CN/Me/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.256, "axes": {"activity": 14.78, "binding": 13.17, "selectivity": 12.18, "admet": 4.95, "novelty": 3.18, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 6.98, "LE": 0.434, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.6, "selectivity_term": 0.924, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.564, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.405, "herg": 0.577, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.486862071910523, "aff_pf": -0.9762276411056519, "aff_hs": 0.8725240429242452, "repeats_pf": {"runs": 3, "values": [-0.9574, -1.054, -0.9172], "mean": -0.9762, "spread": 0.1368}, "repeats_hs": {"runs": 3, "values": [0.7377, 0.8578, 1.022], "mean": 0.8725, "spread": 0.2842}, "at": 1788575880}, "tier": 1, "alerts": [], "total_sd": 0.968, "total_ci95": [49.51, 53.223], "relegate_reason": [], "submitted_at": 1788560197, "scored_at": 1788575880, "rank": 1833}, {"candidate_id": "ODC-5581C9", "res_at": 1790020688, "skeleton": "HCADDBUIPYOZRE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.24, "axes": {"activity": 16.13, "binding": 15.88, "selectivity": 7.15, "admet": 4.26, "novelty": 4.41, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 7.38, "LE": 0.421, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.9, "selectivity_term": 0.45, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.158, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.655, "herg": 0.162, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.567607229350982, "aff_pf": -1.3819815317789714, "aff_hs": -0.4819096624851227, "repeats_pf": {"runs": 3, "values": [-1.405, -1.4002, -1.3407], "mean": -1.382, "spread": 0.0643}, "repeats_hs": {"runs": 3, "values": [-0.4461, -0.5464, -0.4532], "mean": -0.4819, "spread": 0.1003}, "at": 1790020688}, "tier": 1, "alerts": [], "total_sd": 0.437, "total_ci95": [50.291, 52.013], "relegate_reason": [], "submitted_at": 1790008960, "scored_at": 1790020688, "rank": 1834}, {"candidate_id": "ODC-E4B7CA", "res_at": 1786883586, "skeleton": "QJWDUWUOZWUOBG", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(C(F)(F)F)c(C#N)c3)n2n1", "smiles_masked": null, "total": 51.231, "axes": {"activity": 16.02, "binding": 14.94, "selectivity": 8.42, "admet": 4.87, "novelty": 3.73, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.24, "LE": 0.397, "potency_term": 0.747, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.779, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.612, "herg": 0.382, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.561228311596667, "aff_pf": -1.2406676610310872, "aff_hs": -0.11366376529137294, "repeats_pf": {"runs": 3, "values": [-1.0974, -1.2916, -1.333], "mean": -1.2407, "spread": 0.2355}, "repeats_hs": {"runs": 3, "values": [-0.2064, -0.0768, -0.0578], "mean": -0.1137, "spread": 0.1486}, "at": 1786883586}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876332, "scored_at": 1786883586, "alerts": [], "rank": 1835}, {"candidate_id": "ODC-39DE32", "res_at": 1789575612, "skeleton": "DSKYDRUKMAWROY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.221, "axes": {"activity": 14.57, "binding": 15.04, "selectivity": 10.18, "admet": 4.14, "novelty": 4.23, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 7.26, "LE": 0.368, "potency_term": 0.752, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.6, "selectivity_term": 0.677, "target_engagement": 0.752}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.376, "cyp2c9-veith": 0.31, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.661, "herg": 0.112, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.4744337196495865, "aff_pf": -1.2560439904530842, "aff_hs": 0.09771241992712021, "repeats_pf": {"runs": 3, "values": [-1.2779, -1.2436, -1.2466], "mean": -1.256, "spread": 0.0343}, "repeats_hs": {"runs": 3, "values": [0.1378, 0.127, 0.0283], "mean": 0.0977, "spread": 0.1095}, "at": 1789575612}, "tier": 1, "alerts": [], "total_sd": 0.342, "total_ci95": [50.676, 51.964], "relegate_reason": [], "submitted_at": 1789571863, "scored_at": 1789575612, "rank": 1836}, {"candidate_id": "ODC-D0D836", "res_at": 1786905238, "skeleton": "WGDGMMZOAIFZJR", "hf_user": "1Dmeds", "display_name": "ODC26-R5B-C6Cl", "model_name": "ODC-2026-R5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.208, "axes": {"activity": 13.67, "binding": 13.6, "selectivity": 13.29, "admet": 3.87, "novelty": 3.69, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.456}, "binding": {"pIC50": 7.04, "LE": 0.438, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 89.8, "selectivity_term": 0.977, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.429, "herg": 0.152, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.420463847083301, "aff_pf": -1.0404675602912903, "aff_hs": 0.9127881328264872, "repeats_pf": {"runs": 3, "values": [-0.9848, -1.0834, -1.0531], "mean": -1.0405, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [0.9264, 0.8744, 0.9375], "mean": 0.9128, "spread": 0.0632}, "at": 1786905238}, "tier": 1, "relegate_reason": [], "submitted_at": 1786902275, "scored_at": 1786905238, "alerts": [], "rank": 1837}, {"candidate_id": "ODC-848DDC", "res_at": 1786771884, "skeleton": "RRLQONQAHWEXIX", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC-A3-BromoMethyl", "model_name": "OpenCrab-ALEXAI candidate panel v0.1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.2, "axes": {"activity": 14.14, "binding": 15.99, "selectivity": 9.4, "admet": 5.3, "novelty": 2.61, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.471}, "binding": {"pIC50": 7.4, "LE": 0.441, "potency_term": 0.8, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.356, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.448687536653466, "aff_pf": -1.3992388248443604, "aff_hs": -0.2240704596042633, "at": 1786771884}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771359, "scored_at": 1786771884, "alerts": [], "rank": 1838}, {"candidate_id": "ODC-E01B7E", "res_at": 1789875430, "skeleton": "DICRMCYIOUYRFS", "hf_user": "Bio-JS", "display_name": "0917-S1-div13", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.195, "axes": {"activity": 14.41, "binding": 14.55, "selectivity": 10.29, "admet": 4.24, "novelty": 4.74, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.48}, "binding": {"pIC50": 7.18, "LE": 0.394, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.0, "selectivity_term": 0.707, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.853, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.55, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "2", "pAct_q10": 5.464786536478165, "aff_pf": -1.1822632551193237, "aff_hs": 0.2322045974433422, "repeats_pf": {"runs": 3, "values": [-1.1818, -1.129, -1.2359], "mean": -1.1823, "spread": 0.1069}, "repeats_hs": {"runs": 3, "values": [0.4485, 0.2877, -0.0396], "mean": 0.2322, "spread": 0.488}, "at": 1789875430}, "tier": 1, "alerts": [], "total_sd": 1.015, "total_ci95": [49.218, 52.899], "relegate_reason": [], "submitted_at": 1789628597, "scored_at": 1789875430, "rank": 1839}, {"candidate_id": "ODC-652FA9", "res_at": 1787034271, "skeleton": "JJQOZXHIKNOXJP", "hf_user": "BT287", "display_name": "LBT", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.192, "axes": {"activity": 13.07, "binding": 15.31, "selectivity": 12.74, "admet": 5.55, "novelty": 2.14, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 7.3, "LE": 0.384, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.1, "selectivity_term": 0.832, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.588, "herg": 0.076, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "3", "pAct_q10": 5.384377791629002, "aff_pf": -1.2969971895217896, "aff_hs": 0.3667033612728119, "repeats_pf": {"runs": 3, "values": [-1.3071, -1.3111, -1.2728], "mean": -1.297, "spread": 0.0384}, "repeats_hs": {"runs": 3, "values": [0.2724, 0.4446, 0.3831], "mean": 0.3667, "spread": 0.1722}, "at": 1787034271}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030889, "scored_at": 1787034271, "alerts": [], "rank": 1840}, {"candidate_id": "ODC-139F7D", "res_at": 1786824428, "skeleton": "RZDRKWGJNQEYDE", "hf_user": "ipsych", "display_name": "TPS-SCH2CN-4Cl3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.186, "axes": {"activity": 13.03, "binding": 15.0, "selectivity": 11.94, "admet": 4.26, "novelty": 3.56, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 7.25, "LE": 0.432, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.1, "selectivity_term": 0.796, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.321, "herg": 0.301, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.382070692988172, "aff_pf": -1.2501229842503865, "aff_hs": 0.34154850244522095, "repeats_pf": {"runs": 3, "values": [-1.1465, -1.274, -1.3299], "mean": -1.2501, "spread": 0.1834}, "repeats_hs": {"runs": 3, "values": [0.3704, 0.2573, 0.397], "mean": 0.3415, "spread": 0.1397}, "at": 1786824428}, "tier": 1, "relegate_reason": [], "submitted_at": 1786790112, "scored_at": 1786824428, "alerts": [], "rank": 1841}, {"candidate_id": "ODC-EF18EA", "res_at": 1786984688, "skeleton": "LNJXUXRWZUUIMR", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-07", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.185, "axes": {"activity": 14.87, "binding": 12.69, "selectivity": 12.37, "admet": 4.82, "novelty": 3.66, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.496}, "binding": {"pIC50": 6.9, "LE": 0.43, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 89.0, "selectivity_term": 0.975, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.488, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.862, "ld50-zhu": 0.435, "herg": 0.239, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.491986248615564, "aff_pf": -0.9028834303220113, "aff_hs": 1.0466336011886597, "repeats_pf": {"runs": 3, "values": [-0.9445, -0.7956, -0.9686], "mean": -0.9029, "spread": 0.173}, "repeats_hs": {"runs": 3, "values": [0.983, 1.0756, 1.0813], "mean": 1.0466, "spread": 0.0983}, "at": 1786984688}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980728, "scored_at": 1786984688, "alerts": [], "rank": 1842}, {"candidate_id": "ODC-18ADD6", "res_at": 1788533960, "skeleton": "VHOZQPLUXAPDGH", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 51.181, "axes": {"activity": 17.03, "binding": 14.69, "selectivity": 6.58, "admet": 5.94, "novelty": 3.61, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.622, "fraction": 0.568}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.9, "selectivity_term": 0.448, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.634, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.383, "herg": 0.64, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.621776838538902, "aff_pf": -1.2042266925175984, "aff_hs": -0.3085370560487111, "repeats_pf": {"runs": 3, "values": [-1.2234, -1.1813, -1.208], "mean": -1.2042, "spread": 0.0422}, "repeats_hs": {"runs": 3, "values": [-0.2744, -0.3485, -0.3028], "mean": -0.3085, "spread": 0.0741}, "at": 1788533960}, "tier": 1, "alerts": [], "total_sd": 0.259, "total_ci95": [50.569, 51.685], "relegate_reason": [], "submitted_at": 1788489479, "scored_at": 1788533960, "rank": 1843}, {"candidate_id": "ODC-67F25C", "res_at": 1787442520, "skeleton": "GBNJARDHMHMEQH", "hf_user": "1Dmeds", "display_name": "ODC26-C0", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········)CCC1", "total": 51.18, "axes": {"activity": 27.54, "binding": 7.99, "selectivity": 2.9, "admet": 3.22, "novelty": 5.75, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.253, "fraction": 0.918}, "binding": {"pIC50": 6.46, "LE": 0.246, "potency_term": 0.487, "efficiency_cap": 0.82}, "selectivity": {"fold": 3.9, "selectivity_term": 0.298, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.315, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.252578542595806, "aff_pf": -0.4622533718744914, "aff_hs": 0.13364371409018835, "repeats_pf": {"runs": 3, "values": [-0.4566, -0.4163, -0.5138], "mean": -0.4623, "spread": 0.0976}, "repeats_hs": {"runs": 3, "values": [0.4758, -0.0537, -0.0212], "mean": 0.1336, "spread": 0.5295}, "at": 1787442520}, "tier": 1, "relegate_reason": [], "submitted_at": 1787442324, "scored_at": 1787442520, "alerts": [], "rank": 1844}, {"candidate_id": "ODC-928575", "res_at": 1787584224, "skeleton": "YPSVHCLYXPCTFJ", "hf_user": "takutoyo", "display_name": "PfD17-11", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 51.168, "axes": {"activity": 30.0, "binding": 7.21, "selectivity": 0.0, "admet": 3.62, "novelty": 6.9, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.604, "fraction": 1.0}, "binding": {"pIC50": 6.34, "LE": 0.241, "potency_term": 0.448, "efficiency_cap": 0.805}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.448}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.312, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.746, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 6.603520610044134, "aff_pf": -0.3433685302734375, "aff_hs": -0.40982457002003986, "repeats_pf": {"runs": 3, "values": [-0.3992, -0.3322, -0.2987], "mean": -0.3434, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [-0.6175, -0.4596, -0.1524], "mean": -0.4098, "spread": 0.4652}, "at": 1787584224}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581760, "scored_at": 1787584224, "alerts": [], "rank": 1845}, {"candidate_id": "ODC-672DFE", "res_at": 1786864045, "skeleton": "PSOXEJLDVWDEPF", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········nc2n1", "total": 51.163, "axes": {"activity": 13.59, "binding": 16.07, "selectivity": 8.69, "admet": 5.27, "novelty": 4.29, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.415, "fraction": 0.453}, "binding": {"pIC50": 7.41, "LE": 0.423, "potency_term": 0.804, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.243, "ld50-zhu": 0.265, "herg": 0.497, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "2", "pAct_q10": 5.415306045828574, "aff_pf": -1.4106876452763875, "aff_hs": -0.3298453390598297, "repeats_pf": {"runs": 3, "values": [-1.3646, -1.4665, -1.4009], "mean": -1.4107, "spread": 0.1019}, "repeats_hs": {"runs": 3, "values": [-0.3993, -0.3146, -0.2757], "mean": -0.3298, "spread": 0.1236}, "at": 1786864045}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855389, "scored_at": 1786864045, "alerts": [], "rank": 1846}, {"candidate_id": "ODC-572DBD", "res_at": 1789590055, "skeleton": "WQJUQSGQNYZZQE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1c(··········)(F)F", "total": 51.153, "axes": {"activity": 29.55, "binding": 4.36, "selectivity": 0.0, "admet": 6.92, "novelty": 6.84, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 6.373, "fraction": 0.985}, "binding": {"pIC50": 5.88, "LE": 0.224, "potency_term": 0.292, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.292}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.86, "cyp2c9-veith": 0.513, "cyp3a4-substrate-carbonmangels": 0.428, "ld50-zhu": 0.865, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "0", "pAct_q10": 6.373189661423576, "aff_pf": 0.12252563238143921, "aff_hs": -0.27631762623786926, "repeats_pf": {"runs": 3, "values": [0.104, 0.1497, 0.1138], "mean": 0.1225, "spread": 0.0457}, "repeats_hs": {"runs": 3, "values": [0.0725, -0.3769, -0.5245], "mean": -0.2763, "spread": 0.597}, "at": 1789590055}, "tier": 1, "alerts": [], "total_sd": 0.064, "total_ci95": [51.067, 51.26], "relegate_reason": [], "submitted_at": 1789571983, "scored_at": 1789590055, "rank": 1847}, {"candidate_id": "ODC-D53E75", "res_at": 1787052864, "skeleton": "NYTQMJJAEQXTJQ", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.141, "axes": {"activity": 16.78, "binding": 14.62, "selectivity": 8.21, "admet": 4.91, "novelty": 3.72, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 7.19, "LE": 0.394, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.561, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.418, "ld50-zhu": 0.481, "herg": 0.643, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "2", "pAct_q10": 5.6069079100297445, "aff_pf": -1.1936519543329875, "aff_hs": -0.07080398003260295, "repeats_pf": {"runs": 3, "values": [-1.2587, -1.2313, -1.0909], "mean": -1.1937, "spread": 0.1678}, "repeats_hs": {"runs": 3, "values": [-0.0719, 0.0559, -0.1964], "mean": -0.0708, "spread": 0.2522}, "at": 1787052864}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052568, "scored_at": 1787052864, "alerts": [], "rank": 1848}, {"candidate_id": "ODC-2B5C74", "res_at": 1786836651, "skeleton": "PXSSQDOKZSUIGK", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.135, "axes": {"activity": 10.57, "binding": 17.67, "selectivity": 7.07, "admet": 6.51, "novelty": 5.07, "synthesis": 4.25}, "detail": {"activity": {"pAct_q10": 5.234, "fraction": 0.352}, "binding": {"pIC50": 7.65, "LE": 0.476, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 0.182, "ld50-zhu": 0.661, "herg": 0.267, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.23446928875953, "aff_pf": -1.6498454411824544, "aff_hs": -0.8491833209991455, "repeats_pf": {"runs": 3, "values": [-1.6238, -1.6549, -1.6708], "mean": -1.6498, "spread": 0.0471}, "repeats_hs": {"runs": 3, "values": [-0.8497, -0.8748, -0.823], "mean": -0.8492, "spread": 0.0518}, "at": 1786836651}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804212, "scored_at": 1786836651, "alerts": [], "rank": 1849}, {"candidate_id": "ODC-1F147F", "res_at": 1786894808, "skeleton": "IVXJCIZUXYAMES", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.124, "axes": {"activity": 16.18, "binding": 14.41, "selectivity": 9.84, "admet": 4.47, "novelty": 3.07, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.571, "fraction": 0.539}, "binding": {"pIC50": 7.16, "LE": 0.427, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.2, "selectivity_term": 0.683, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.829, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.47, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.570935095999851, "aff_pf": -1.161023736000061, "aff_hs": 0.20504935209949812, "repeats_pf": {"runs": 3, "values": [-1.1815, -1.1083, -1.1932], "mean": -1.161, "spread": 0.0849}, "repeats_hs": {"runs": 3, "values": [0.007, 0.2776, 0.3305], "mean": 0.205, "spread": 0.3235}, "at": 1786894808}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888078, "scored_at": 1786894808, "alerts": [], "rank": 1850}, {"candidate_id": "ODC-5FCCBE", "res_at": 1787081681, "skeleton": "HPOMKORBPPMUTB", "hf_user": "1Dmeds", "display_name": "ODC26-MB-11", "model_name": "Claude Opus 5 validated-path anchor seeding", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········3)cc1", "total": 51.109, "axes": {"activity": 19.98, "binding": 12.86, "selectivity": 7.08, "admet": 5.23, "novelty": 2.66, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.799, "fraction": 0.666}, "binding": {"pIC50": 6.93, "LE": 0.431, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.551, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.61, "cyp3a4-substrate-carbonmangels": 0.528, "ld50-zhu": 0.212, "herg": 0.883, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "2", "pAct_q10": 5.798793950418045, "aff_pf": -0.9290677507718405, "aff_hs": 0.17233706265687943, "repeats_pf": {"runs": 3, "values": [-1.0709, -1.0168, -0.6995], "mean": -0.9291, "spread": 0.3714}, "repeats_hs": {"runs": 3, "values": [0.3054, -0.0848, 0.2964], "mean": 0.1723, "spread": 0.3903}, "at": 1787081681}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069651, "scored_at": 1787081681, "alerts": [], "rank": 1851}, {"candidate_id": "ODC-7AC36B", "res_at": 1787572674, "skeleton": "YFEKVFWEECNTNV", "hf_user": "Ku-ku", "display_name": "KK-M-0824-23", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 51.103, "axes": {"activity": 25.77, "binding": 7.9, "selectivity": 4.61, "admet": 3.3, "novelty": 5.88, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.146, "fraction": 0.859}, "binding": {"pIC50": 6.25, "LE": 0.285, "potency_term": 0.415, "efficiency_cap": 0.951}, "selectivity": {"fold": 12.9, "selectivity_term": 0.555, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.111, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 6.14603799479468, "aff_pf": -0.24577454725901285, "aff_hs": 0.864935576915741, "repeats_pf": {"runs": 3, "values": [-0.2821, -0.2582, -0.197], "mean": -0.2458, "spread": 0.0851}, "repeats_hs": {"runs": 3, "values": [0.958, 0.6953, 0.9415], "mean": 0.8649, "spread": 0.2627}, "at": 1787572674}, "tier": 1, "relegate_reason": [], "submitted_at": 1787572114, "scored_at": 1787572674, "alerts": [], "rank": 1852}, {"candidate_id": "ODC-EA56B9", "res_at": 1786845874, "skeleton": "IGFMLYDZTMFUSM", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt-5.6 Sol", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3cc(F)c(Cl)c(F)c3)n2n1", "smiles_masked": null, "total": 51.1, "axes": {"activity": 13.24, "binding": 15.46, "selectivity": 9.37, "admet": 6.14, "novelty": 3.49, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 7.32, "LE": 0.456, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.41, "herg": 0.787, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.549, "novelty": 0.451}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "1", "pAct_q10": 5.394113288130011, "aff_pf": -1.3188480933507283, "aff_hs": -0.10717420776685078, "repeats_pf": {"runs": 3, "values": [-1.3298, -1.3538, -1.2729], "mean": -1.3188, "spread": 0.0809}, "repeats_hs": {"runs": 3, "values": [-0.1155, -0.1448, -0.0613], "mean": -0.1072, "spread": 0.0835}, "at": 1786845874}, "tier": 1, "relegate_reason": [], "submitted_at": 1786843708, "scored_at": 1786845874, "alerts": [], "rank": 1853}, {"candidate_id": "ODC-340815", "res_at": 1786929387, "skeleton": "QNLSXUQRYLLHMQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 51.096, "axes": {"activity": 19.89, "binding": 12.29, "selectivity": 7.96, "admet": 3.86, "novelty": 4.39, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.663}, "binding": {"pIC50": 6.84, "LE": 0.347, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.068, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.653, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "2", "pAct_q10": 5.793629771465363, "aff_pf": -0.844052791595459, "aff_hs": 0.45170676708221436, "repeats_pf": {"runs": 3, "values": [-0.8978, -0.785, -0.8493], "mean": -0.8441, "spread": 0.1127}, "repeats_hs": {"runs": 3, "values": [0.5171, 0.4149, 0.4231], "mean": 0.4517, "spread": 0.1022}, "at": 1786929387}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924522, "scored_at": 1786929387, "alerts": [], "rank": 1854}, {"candidate_id": "ODC-7E5E50", "res_at": 1787875711, "skeleton": "NGNSJCNWAQSRAP", "hf_user": "Bio-JS", "display_name": "4원설폰팔 x 1-아세틸피페리딘-4-일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 51.09, "axes": {"activity": 19.14, "binding": 11.24, "selectivity": 11.04, "admet": 2.63, "novelty": 4.18, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.749, "fraction": 0.638}, "binding": {"pIC50": 7.0, "LE": 0.252, "potency_term": 0.668, "efficiency_cap": 0.842}, "selectivity": {"fold": 45.0, "selectivity_term": 0.826, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.616, "caco2-wang": 0.359, "hia-hou": 1.0, "bioavailability-ma": 0.777, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.408, "herg": 0.05, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.748542095491855, "aff_pf": -1.0034541686375935, "aff_hs": 0.6495439211527506, "repeats_pf": {"runs": 3, "values": [-1.1432, -1.0764, -0.7907], "mean": -1.0035, "spread": 0.3525}, "repeats_hs": {"runs": 3, "values": [0.7422, 0.5237, 0.6827], "mean": 0.6495, "spread": 0.2185}, "at": 1787875711}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813294, "scored_at": 1787875711, "alerts": [], "rank": 1855}, {"candidate_id": "ODC-E35785", "res_at": 1789887078, "skeleton": "JNCFDVLNUDHIBY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 51.089, "axes": {"activity": 22.28, "binding": 11.75, "selectivity": 4.27, "admet": 4.96, "novelty": 4.75, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.937, "fraction": 0.743}, "binding": {"pIC50": 6.76, "LE": 0.331, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.363, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.328, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.624, "herg": 0.127, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.936975700723643, "aff_pf": -0.7627536455790201, "aff_hs": -0.03613223880529404, "repeats_pf": {"runs": 3, "values": [-0.7701, -0.8016, -0.7166], "mean": -0.7628, "spread": 0.085}, "repeats_hs": {"runs": 3, "values": [0.1767, -0.1765, -0.1086], "mean": -0.0361, "spread": 0.3532}, "at": 1789887078}, "tier": 1, "alerts": [], "total_sd": 0.602, "total_ci95": [50.007, 52.34], "relegate_reason": [], "submitted_at": 1789658491, "scored_at": 1789887078, "rank": 1856}, {"candidate_id": "ODC-56428A", "res_at": 1787324471, "skeleton": "GDOWHXQJASPAQJ", "hf_user": "Ku-ku", "display_name": "B_4Br_3OMe", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 51.077, "axes": {"activity": 20.43, "binding": 12.32, "selectivity": 7.01, "admet": 4.62, "novelty": 3.52, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.826, "fraction": 0.681}, "binding": {"pIC50": 6.85, "LE": 0.391, "potency_term": 0.616, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.616}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.404, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.8260586555143075, "aff_pf": -0.8477041920026144, "aff_hs": 0.29013768831888836, "repeats_pf": {"runs": 3, "values": [-0.7719, -0.9814, -0.7898], "mean": -0.8477, "spread": 0.2095}, "repeats_hs": {"runs": 3, "values": [0.1863, 0.3415, 0.3426], "mean": 0.2901, "spread": 0.1563}, "at": 1787324471}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322701, "scored_at": 1787324471, "alerts": [], "rank": 1857}, {"candidate_id": "ODC-FA52D0", "res_at": 1789442485, "skeleton": "KLLBKTQVDDGERQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 51.059, "axes": {"activity": 11.25, "binding": 15.23, "selectivity": 10.6, "admet": 5.71, "novelty": 4.93, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.275, "fraction": 0.375}, "binding": {"pIC50": 7.29, "LE": 0.399, "potency_term": 0.762, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.6, "selectivity_term": 0.696, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.554, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.472, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.553, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.274969520093318, "aff_pf": -1.2851406733194988, "aff_hs": 0.10657707850138347, "repeats_pf": {"runs": 3, "values": [-1.298, -1.2746, -1.2829], "mean": -1.2851, "spread": 0.0234}, "repeats_hs": {"runs": 3, "values": [0.2773, 0.2293, -0.1868], "mean": 0.1066, "spread": 0.4641}, "at": 1789442485}, "tier": 1, "alerts": [], "total_sd": 0.902, "total_ci95": [48.825, 52.367], "relegate_reason": [], "submitted_at": 1789436141, "scored_at": 1789442485, "rank": 1858}, {"candidate_id": "ODC-65B667", "res_at": 1786872859, "skeleton": "UORACYKGOKVOJA", "hf_user": "Binggu8", "display_name": "BG70-V802", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.057, "axes": {"activity": 9.36, "binding": 17.01, "selectivity": 9.22, "admet": 7.08, "novelty": 4.61, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 7.55, "LE": 0.45, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.811, "ld50-zhu": 0.43, "herg": 0.826, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.1615225270229494, "aff_pf": -1.5519817272822063, "aff_hs": -0.4681512713432312, "repeats_pf": {"runs": 3, "values": [-1.5885, -1.545, -1.5225], "mean": -1.552, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [-0.387, -0.3768, -0.6406], "mean": -0.4682, "spread": 0.2638}, "at": 1786872859}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866396, "scored_at": 1786872859, "alerts": [], "rank": 1859}, {"candidate_id": "ODC-41546C", "res_at": 1789175871, "skeleton": "XCQKXQUKLNVCIM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 51.053, "axes": {"activity": 14.41, "binding": 16.55, "selectivity": 8.25, "admet": 5.39, "novelty": 2.65, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 7.48, "LE": 0.446, "potency_term": 0.828, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.499, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.733, "herg": 0.257, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.68, "novelty": 0.32}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.464358483619112, "aff_pf": -1.4829731782277424, "aff_hs": -0.4855971137682597, "repeats_pf": {"runs": 3, "values": [-1.4484, -1.5207, -1.4798], "mean": -1.483, "spread": 0.0723}, "repeats_hs": {"runs": 3, "values": [-0.4779, -0.5215, -0.4574], "mean": -0.4856, "spread": 0.0642}, "at": 1789175871}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [50.205, 51.845], "relegate_reason": [], "submitted_at": 1789173920, "scored_at": 1789175871, "rank": 1860}, {"candidate_id": "ODC-97649D", "res_at": 1786770443, "skeleton": "KERMTBUTBJVGHF", "hf_user": "ProPerNounpYK", "display_name": "youngphil", "model_name": "Claude opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.05, "axes": {"activity": 15.55, "binding": 15.4, "selectivity": 8.5, "admet": 5.29, "novelty": 2.75, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.533, "fraction": 0.518}, "binding": {"pIC50": 7.31, "LE": 0.435, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.552, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.38, "herg": 0.307, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.643, "novelty": 0.357}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.532784779054963, "aff_pf": -1.310084342956543, "aff_hs": -0.2056308090686798, "at": 1786770443}, "tier": 1, "relegate_reason": [], "submitted_at": 1786770101, "scored_at": 1786770443, "alerts": [], "rank": 1861}, {"candidate_id": "ODC-7EDFF7", "res_at": 1786981207, "skeleton": "MLRZDKNABWVIND", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 51.001, "axes": {"activity": 20.09, "binding": 13.54, "selectivity": 5.54, "admet": 5.7, "novelty": 3.39, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.805, "fraction": 0.67}, "binding": {"pIC50": 7.03, "LE": 0.37, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.409, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.754, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.694, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.805481528143759, "aff_pf": -1.031283974647522, "aff_hs": -0.21281550824642181, "repeats_pf": {"runs": 3, "values": [-1.1133, -0.9738, -1.0067], "mean": -1.0313, "spread": 0.1395}, "repeats_hs": {"runs": 3, "values": [-0.1459, -0.1592, -0.3334], "mean": -0.2128, "spread": 0.1875}, "at": 1786981207}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977534, "scored_at": 1786981207, "alerts": [], "rank": 1862}, {"candidate_id": "ODC-FDC045", "res_at": 1788432298, "skeleton": "OFRPXFFUZLIPOW", "hf_user": "Bio-JS", "display_name": "0903-S1-14 oCN_mF/oxetane/tmSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.994, "axes": {"activity": 21.89, "binding": 11.19, "selectivity": 6.93, "admet": 3.04, "novelty": 5.2, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.914, "fraction": 0.73}, "binding": {"pIC50": 7.04, "LE": 0.247, "potency_term": 0.679, "efficiency_cap": 0.824}, "selectivity": {"fold": 10.5, "selectivity_term": 0.51, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.399, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.778, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 5.913689242147402, "aff_pf": -1.037519097328186, "aff_hs": -0.017820974191029865, "repeats_pf": {"runs": 3, "values": [-1.0886, -0.9929, -1.0311], "mean": -1.0375, "spread": 0.0957}, "repeats_hs": {"runs": 3, "values": [-0.1429, 0.0134, 0.076], "mean": -0.0178, "spread": 0.2189}, "at": 1788432298}, "tier": 1, "alerts": [], "total_sd": 0.548, "total_ci95": [49.959, 52.053], "relegate_reason": [], "submitted_at": 1788362781, "scored_at": 1788432298, "rank": 1863}, {"candidate_id": "ODC-50587C", "res_at": 1789577090, "skeleton": "ZUFKENMLKNHYJG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.979, "axes": {"activity": 17.38, "binding": 14.03, "selectivity": 8.93, "admet": 4.01, "novelty": 3.69, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.643, "fraction": 0.579}, "binding": {"pIC50": 7.11, "LE": 0.348, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.7, "selectivity_term": 0.636, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.266, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.583, "ld50-zhu": 0.881, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.643055786014185, "aff_pf": -1.1050986846288045, "aff_hs": 0.16727808862924576, "repeats_pf": {"runs": 3, "values": [-1.1167, -1.1362, -1.0624], "mean": -1.1051, "spread": 0.0737}, "repeats_hs": {"runs": 3, "values": [0.1242, 0.1015, 0.2761], "mean": 0.1673, "spread": 0.1746}, "at": 1789577090}, "tier": 1, "alerts": [], "total_sd": 0.542, "total_ci95": [50.004, 51.959], "relegate_reason": [], "submitted_at": 1789571875, "scored_at": 1789577090, "rank": 1864}, {"candidate_id": "ODC-6D7F42", "res_at": 1789479816, "skeleton": "KRHVLMPFYLGGJP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-A3-R2Nitrile-01", "model_name": "1Dmeds", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 50.977, "axes": {"activity": 11.47, "binding": 15.91, "selectivity": 11.58, "admet": 3.29, "novelty": 5.74, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 7.45, "LE": 0.292, "potency_term": 0.818, "efficiency_cap": 0.973}, "selectivity": {"fold": 26.0, "selectivity_term": 0.708, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.052, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.589, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 5.288384722489142, "aff_pf": -1.4537660280863445, "aff_hs": -0.03845062851905823, "repeats_pf": {"runs": 3, "values": [-1.4693, -1.4358, -1.4563], "mean": -1.4538, "spread": 0.0335}, "repeats_hs": {"runs": 3, "values": [0.1856, -0.1703, -0.1307], "mean": -0.0385, "spread": 0.3559}, "at": 1789479816}, "tier": 1, "alerts": [], "total_sd": 0.807, "total_ci95": [49.699, 52.81], "relegate_reason": [], "submitted_at": 1789479170, "scored_at": 1789479816, "rank": 1865}, {"candidate_id": "ODC-C5BC68", "res_at": 1787953490, "skeleton": "ZLOLFBSBIFKMKF", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C1)C2", "total": 50.945, "axes": {"activity": 30.0, "binding": 6.53, "selectivity": 0.0, "admet": 4.18, "novelty": 7.56, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 6.434, "fraction": 1.0}, "binding": {"pIC50": 6.15, "LE": 0.255, "potency_term": 0.383, "efficiency_cap": 0.851}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.383}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.486, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.767, "herg": 0.05, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "3", "pAct_q10": 6.433546607131461, "aff_pf": -0.1501046121120453, "aff_hs": -0.8605116208394369, "repeats_pf": {"runs": 3, "values": [-0.1026, -0.1551, -0.1926], "mean": -0.1501, "spread": 0.09}, "repeats_hs": {"runs": 3, "values": [-0.784, -0.9459, -0.8516], "mean": -0.8605, "spread": 0.1619}, "at": 1787953490}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946081, "scored_at": 1787953490, "alerts": [], "rank": 1866}, {"candidate_id": "ODC-8A685D", "res_at": 1788621283, "skeleton": "FCBIGZVRIHVGFT", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-25A]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 50.938, "axes": {"activity": 19.94, "binding": 13.81, "selectivity": 5.42, "admet": 4.58, "novelty": 4.23, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.796, "fraction": 0.665}, "binding": {"pIC50": 7.07, "LE": 0.388, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.514, "ld50-zhu": 0.343, "herg": 0.345, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.79633334010974, "aff_pf": -1.07214351495107, "aff_hs": -0.2877144118150075, "repeats_pf": {"runs": 3, "values": [-1.1241, -0.9598, -1.1325], "mean": -1.0721, "spread": 0.1726}, "repeats_hs": {"runs": 3, "values": [-0.0717, -0.4992, -0.2923], "mean": -0.2877, "spread": 0.4276}, "at": 1788621283}, "tier": 1, "alerts": [], "total_sd": 1.139, "total_ci95": [48.733, 53.156], "relegate_reason": [], "submitted_at": 1788617336, "scored_at": 1788621283, "rank": 1867}, {"candidate_id": "ODC-C43C6F", "res_at": 1787580701, "skeleton": "LGGDBWRXEGCSHQ", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4C", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 50.935, "axes": {"activity": 15.13, "binding": 14.81, "selectivity": 8.83, "admet": 4.04, "novelty": 5.13, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.504}, "binding": {"pIC50": 7.22, "LE": 0.396, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.596, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.973, "cyp2c9-veith": 0.071, "cyp3a4-substrate-carbonmangels": 0.7, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.507905229849347, "aff_pf": -1.2211650609970093, "aff_hs": -0.028790016969045002, "repeats_pf": {"runs": 3, "values": [-1.389, -1.0733, -1.2012], "mean": -1.2212, "spread": 0.3157}, "repeats_hs": {"runs": 3, "values": [-0.0255, -0.0415, -0.0193], "mean": -0.0288, "spread": 0.0221}, "at": 1787580701}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578601, "scored_at": 1787580701, "alerts": [], "rank": 1868}, {"candidate_id": "ODC-15BB7E", "res_at": 1787140106, "skeleton": "AACYSVCNJIAEJG", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 50.932, "axes": {"activity": 10.25, "binding": 16.89, "selectivity": 10.94, "admet": 5.34, "novelty": 4.15, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.215, "fraction": 0.342}, "binding": {"pIC50": 7.53, "LE": 0.397, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.944, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.678, "ld50-zhu": 0.672, "herg": 0.201, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.215022322010939, "aff_pf": -1.5336145957310994, "aff_hs": -0.23790807525316873, "repeats_pf": {"runs": 3, "values": [-1.501, -1.5339, -1.5659], "mean": -1.5336, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [-0.3395, -0.0089, -0.3653], "mean": -0.2379, "spread": 0.3564}, "at": 1787140106}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138977, "scored_at": 1787140106, "alerts": [], "rank": 1869}, {"candidate_id": "ODC-61D053", "res_at": 1787580894, "skeleton": "NKKAOQQJOKDQQA", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4D", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 50.931, "axes": {"activity": 20.53, "binding": 12.51, "selectivity": 6.28, "admet": 3.99, "novelty": 4.7, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.832, "fraction": 0.684}, "binding": {"pIC50": 6.88, "LE": 0.377, "potency_term": 0.625, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.502, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.978, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.8316612392676, "aff_pf": -0.8762526909510294, "aff_hs": 0.12787404159704843, "repeats_pf": {"runs": 3, "values": [-0.8329, -0.9237, -0.8722], "mean": -0.8763, "spread": 0.0908}, "repeats_hs": {"runs": 3, "values": [0.1162, 0.14, 0.1273], "mean": 0.1279, "spread": 0.0238}, "at": 1787580894}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578605, "scored_at": 1787580894, "alerts": [], "rank": 1870}, {"candidate_id": "ODC-23FA5C", "res_at": 1787708830, "skeleton": "XKOQNIKIIVFFJC", "hf_user": "Moonweave", "display_name": "M5AI-FPOS-CAND-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········2cc1F", "total": 50.929, "axes": {"activity": 19.7, "binding": 15.56, "selectivity": 4.96, "admet": 3.2, "novelty": 3.78, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.657}, "binding": {"pIC50": 7.33, "LE": 0.346, "potency_term": 0.778, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.319, "target_engagement": 0.778}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.101, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.554, "herg": 0.05, "dili": 0.345}}, "novelty": {"max_tanimoto": 0.514, "novelty": 0.486}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.781772793406483, "aff_pf": -1.3345962365468342, "aff_hs": -0.6967044671376547, "repeats_pf": {"runs": 3, "values": [-1.3073, -1.4168, -1.2797], "mean": -1.3346, "spread": 0.1371}, "repeats_hs": {"runs": 3, "values": [-0.6939, -0.7472, -0.649], "mean": -0.6967, "spread": 0.0982}, "at": 1787708830}, "tier": 1, "relegate_reason": [], "submitted_at": 1787706612, "scored_at": 1787708830, "alerts": [], "rank": 1871}, {"candidate_id": "ODC-0DBFEB", "res_at": 1789925663, "skeleton": "CEPXOYLVIFOPQG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.927, "axes": {"activity": 12.84, "binding": 15.82, "selectivity": 10.11, "admet": 5.13, "novelty": 3.75, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 7.37, "LE": 0.439, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.9, "selectivity_term": 0.639, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.419, "ld50-zhu": 0.562, "herg": 0.353, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.370326517032368, "aff_pf": -1.3734756708145142, "aff_hs": -0.09612118701140086, "repeats_pf": {"runs": 3, "values": [-1.3783, -1.3825, -1.3596], "mean": -1.3735, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [-0.2401, 0.0951, -0.1434], "mean": -0.0961, "spread": 0.3352}, "at": 1789925663}, "tier": 1, "alerts": [], "total_sd": 0.707, "total_ci95": [49.717, 52.406], "relegate_reason": [], "submitted_at": 1789918891, "scored_at": 1789925663, "rank": 1872}, {"candidate_id": "ODC-5571E1", "res_at": 1787159260, "skeleton": "GRMXGAYMWVANDJ", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 50.919, "axes": {"activity": 9.43, "binding": 17.39, "selectivity": 11.57, "admet": 4.44, "novelty": 4.7, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.314}, "binding": {"pIC50": 7.61, "LE": 0.401, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.934, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.897, "ld50-zhu": 0.677, "herg": 0.097, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.1658384862065825, "aff_pf": -1.60794997215271, "aff_hs": -0.27724454800287884, "repeats_pf": {"runs": 3, "values": [-1.6034, -1.6097, -1.6108], "mean": -1.6079, "spread": 0.0074}, "repeats_hs": {"runs": 3, "values": [-0.27, -0.207, -0.3548], "mean": -0.2772, "spread": 0.1478}, "at": 1787159260}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148841, "scored_at": 1787159260, "alerts": [], "rank": 1873}, {"candidate_id": "ODC-CBD123", "res_at": 1787620333, "skeleton": "ZPHSQPIWNBPMAB", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-(다이플루오로메틸)옥세탄-3-일 (가지F 심화)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.915, "axes": {"activity": 16.57, "binding": 13.17, "selectivity": 11.11, "admet": 2.95, "novelty": 4.53, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 7.26, "LE": 0.262, "potency_term": 0.754, "efficiency_cap": 0.873}, "selectivity": {"fold": 29.7, "selectivity_term": 0.736, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.382, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.246, "cyp3a4-substrate-carbonmangels": 0.057, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.594100813546049, "aff_pf": -1.2626887957255046, "aff_hs": 0.20967627068360647, "repeats_pf": {"runs": 3, "values": [-1.0582, -1.3518, -1.378], "mean": -1.2627, "spread": 0.3198}, "repeats_hs": {"runs": 3, "values": [0.2616, 0.1848, 0.1827], "mean": 0.2097, "spread": 0.0789}, "at": 1787620333}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618665, "scored_at": 1787620333, "alerts": [], "rank": 1874}, {"candidate_id": "ODC-0F69BD", "res_at": 1789589265, "skeleton": "ROFYRJZTGODHLB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········C)CC1", "total": 50.911, "axes": {"activity": 26.36, "binding": 6.65, "selectivity": 1.78, "admet": 6.39, "novelty": 6.28, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.181, "fraction": 0.879}, "binding": {"pIC50": 6.26, "LE": 0.238, "potency_term": 0.419, "efficiency_cap": 0.794}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.419}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.585, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.78, "ld50-zhu": 0.849, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.181394475899959, "aff_pf": -0.2569738378127416, "aff_hs": 0.1678663045167923, "repeats_pf": {"runs": 3, "values": [-0.3203, -0.1821, -0.2686], "mean": -0.257, "spread": 0.1381}, "repeats_hs": {"runs": 3, "values": [0.014, 0.3688, 0.1208], "mean": 0.1679, "spread": 0.3548}, "at": 1789589265}, "tier": 1, "alerts": [], "total_sd": 0.533, "total_ci95": [49.892, 51.985], "relegate_reason": [], "submitted_at": 1789571977, "scored_at": 1789589265, "rank": 1875}, {"candidate_id": "ODC-5D343D", "res_at": 1788132484, "skeleton": "GKDKMKQQTORUGZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.889, "axes": {"activity": 18.62, "binding": 13.82, "selectivity": 7.39, "admet": 4.11, "novelty": 3.79, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.717, "fraction": 0.621}, "binding": {"pIC50": 7.07, "LE": 0.373, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.742, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.717456771127379, "aff_pf": -1.0725067456563313, "aff_hs": -0.0025753676891326904, "repeats_pf": {"runs": 3, "values": [-0.9815, -1.0973, -1.1387], "mean": -1.0725, "spread": 0.1573}, "repeats_hs": {"runs": 3, "values": [-0.0284, 0.0239, -0.0033], "mean": -0.0026, "spread": 0.0523}, "at": 1788132484}, "tier": 1, "alerts": [], "total_sd": 0.875, "total_ci95": [48.871, 52.199], "relegate_reason": [], "submitted_at": 1788132292, "scored_at": 1788132484, "rank": 1876}, {"candidate_id": "ODC-173D52", "res_at": 1788304887, "skeleton": "GJZMWTCBVWQFSV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 50.882, "axes": {"activity": 18.64, "binding": 11.36, "selectivity": 11.31, "admet": 2.75, "novelty": 3.87, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.718, "fraction": 0.621}, "binding": {"pIC50": 7.06, "LE": 0.248, "potency_term": 0.687, "efficiency_cap": 0.827}, "selectivity": {"fold": 44.3, "selectivity_term": 0.823, "target_engagement": 0.687}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.227}}, "novelty": {"max_tanimoto": 0.376, "novelty": 0.624}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.718296235457069, "aff_pf": -1.0604468981424968, "aff_hs": 0.5859289566675822, "repeats_pf": {"runs": 3, "values": [-1.3973, -0.87, -0.914], "mean": -1.0604, "spread": 0.5273}, "repeats_hs": {"runs": 3, "values": [0.3582, 0.5513, 0.8483], "mean": 0.5859, "spread": 0.4901}, "at": 1788304887}, "tier": 1, "alerts": [], "total_sd": 2.916, "total_ci95": [46.817, 58.211], "relegate_reason": [], "submitted_at": 1788275438, "scored_at": 1788304887, "rank": 1877}, {"candidate_id": "DSM265", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 50.88, "tier": 1, "axes": {"activity": 14.45, "binding": 15.12, "selectivity": 12.59, "admet": 5.89, "novelty": 0.0, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.27, "LE": 0.369, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.3, "selectivity_term": 0.833, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.638, "ld50-zhu": 0.66, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.37}}, "note": "임상단계 항말라리아제 · PfDHODH 억제제 (양성 대조)", "note_en": "clinical-stage antimalarial (positive control)", "rank": null}, {"candidate_id": "ODC-07143E", "res_at": 1787388814, "skeleton": "UCJAZDWKGOMICB", "hf_user": "Ku-ku", "display_name": "V3_core_ringCl", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 50.876, "axes": {"activity": 16.11, "binding": 12.33, "selectivity": 12.33, "admet": 3.64, "novelty": 3.8, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.566, "fraction": 0.537}, "binding": {"pIC50": 6.85, "LE": 0.408, "potency_term": 0.616, "efficiency_cap": 1.0}, "selectivity": {"fold": 111.0, "selectivity_term": 1.0, "target_engagement": 0.616}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.318, "ld50-zhu": 0.324, "herg": 0.709, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.566426737881433, "aff_pf": -0.848959763844808, "aff_hs": 1.1962162852287292, "repeats_pf": {"runs": 3, "values": [-0.8862, -0.87, -0.7907], "mean": -0.849, "spread": 0.0955}, "repeats_hs": {"runs": 3, "values": [1.0901, 1.4996, 0.9989], "mean": 1.1962, "spread": 0.5007}, "at": 1787388814}, "tier": 1, "relegate_reason": [], "submitted_at": 1787388023, "scored_at": 1787388814, "alerts": [], "rank": 1878}, {"candidate_id": "ODC-35C0D3", "res_at": 1788514158, "skeleton": "XNPXFUXVJUENQI", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW MeCF2/Cl/p-MeCF2", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cc1", "total": 50.876, "axes": {"activity": 13.12, "binding": 14.78, "selectivity": 11.71, "admet": 5.11, "novelty": 2.93, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.387, "fraction": 0.437}, "binding": {"pIC50": 7.22, "LE": 0.395, "potency_term": 0.739, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.5, "selectivity_term": 0.793, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.37, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.38, "herg": 0.201, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.604, "novelty": 0.396}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.387053272926691, "aff_pf": -1.2162575721740723, "aff_hs": 0.36897556483745575, "repeats_pf": {"runs": 3, "values": [-1.2324, -1.2702, -1.1462], "mean": -1.2163, "spread": 0.124}, "repeats_hs": {"runs": 3, "values": [0.3761, 0.5168, 0.214], "mean": 0.369, "spread": 0.3029}, "at": 1788514158}, "tier": 1, "alerts": [], "total_sd": 0.944, "total_ci95": [49.141, 52.651], "relegate_reason": [], "submitted_at": 1788487317, "scored_at": 1788514158, "rank": 1879}, {"candidate_id": "ODC-626EBB", "res_at": 1788516963, "skeleton": "JSQXQQLEYTVHPZ", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SO2Me/Cl/p-CF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 50.873, "axes": {"activity": 10.24, "binding": 15.52, "selectivity": 12.25, "admet": 6.05, "novelty": 3.22, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.215, "fraction": 0.341}, "binding": {"pIC50": 7.33, "LE": 0.402, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.9, "selectivity_term": 0.789, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.541, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.455, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.2146693220966345, "aff_pf": -1.3279964526494343, "aff_hs": 0.25037020941575366, "repeats_pf": {"runs": 3, "values": [-1.307, -1.3915, -1.2855], "mean": -1.328, "spread": 0.106}, "repeats_hs": {"runs": 3, "values": [0.3049, 0.229, 0.2172], "mean": 0.2504, "spread": 0.0878}, "at": 1788516963}, "tier": 1, "alerts": [], "total_sd": 0.647, "total_ci95": [49.793, 52.223], "relegate_reason": [], "submitted_at": 1788487475, "scored_at": 1788516963, "rank": 1880}, {"candidate_id": "ODC-384D0C", "res_at": 1786773258, "skeleton": "IPYVETSEEZCUDR", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC2-P4-IodoFluoro-PosA", "model_name": "OpenCrab-ALEXAI candidate panel v0.2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.87, "axes": {"activity": 15.89, "binding": 15.36, "selectivity": 8.41, "admet": 5.54, "novelty": 2.27, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.553, "fraction": 0.53}, "binding": {"pIC50": 7.3, "LE": 0.435, "potency_term": 0.768, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.768}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.314, "herg": 0.698, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.704, "novelty": 0.296}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.553219006312415, "aff_pf": -1.3032935857772827, "aff_hs": -0.20853981375694275, "at": 1786773258}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772843, "scored_at": 1786773258, "alerts": [], "rank": 1881}, {"candidate_id": "ODC-7A4F7C", "res_at": 1786865165, "skeleton": "OEARNNCJCOZCIV", "hf_user": "choa712", "display_name": "CODEX-R2-01", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.866, "axes": {"activity": 12.33, "binding": 17.8, "selectivity": 8.25, "admet": 5.43, "novelty": 3.08, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 7.67, "LE": 0.42, "potency_term": 0.89, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.89}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.54, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.654, "novelty": 0.346}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.3397759067822665, "aff_pf": -1.6695443391799927, "aff_hs": -0.7424031297365824, "repeats_pf": {"runs": 3, "values": [-1.7112, -1.5889, -1.7085], "mean": -1.6695, "spread": 0.1223}, "repeats_hs": {"runs": 3, "values": [-0.6787, -0.6967, -0.8517], "mean": -0.7424, "spread": 0.173}, "at": 1786865165}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855454, "scored_at": 1786865165, "alerts": [], "rank": 1882}, {"candidate_id": "ODC-3908A8", "res_at": 1787243642, "skeleton": "KXMDKDICMCNFHR", "hf_user": "1Dmeds", "display_name": "ODC26-R15-01", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 50.862, "axes": {"activity": 21.68, "binding": 13.09, "selectivity": 5.44, "admet": 2.72, "novelty": 4.92, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.901, "fraction": 0.723}, "binding": {"pIC50": 6.96, "LE": 0.329, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.478, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.713, "ld50-zhu": 0.618, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.900500370337832, "aff_pf": -0.9642016887664795, "aff_hs": -0.1334725022315979, "repeats_pf": {"runs": 3, "values": [-0.9602, -1.0067, -0.9257], "mean": -0.9642, "spread": 0.0809}, "repeats_hs": {"runs": 3, "values": [-0.1059, -0.1415, -0.1529], "mean": -0.1335, "spread": 0.047}, "at": 1787243642}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238508, "scored_at": 1787243642, "alerts": [], "rank": 1883}, {"candidate_id": "ODC-B5581C", "res_at": 1787325566, "skeleton": "QFUPVWVUZIWJPF", "hf_user": "Ku-ku", "display_name": "F_4Br_3CHF2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.859, "axes": {"activity": 16.78, "binding": 15.2, "selectivity": 7.46, "admet": 4.38, "novelty": 3.8, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 7.28, "LE": 0.399, "potency_term": 0.76, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.453, "herg": 0.176, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.607089890975588, "aff_pf": -1.2796794176101685, "aff_hs": -0.2980601092179616, "repeats_pf": {"runs": 3, "values": [-1.2645, -1.3191, -1.2554], "mean": -1.2797, "spread": 0.0637}, "repeats_hs": {"runs": 3, "values": [-0.6143, -0.0538, -0.2262], "mean": -0.2981, "spread": 0.5605}, "at": 1787325566}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322717, "scored_at": 1787325566, "alerts": [], "rank": 1884}, {"candidate_id": "ODC-25305A", "res_at": 1786791593, "skeleton": "ICHHJSPDCUSNOK", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "omo-Claude-plus-local-gate-screen", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.843, "axes": {"activity": 13.17, "binding": 16.38, "selectivity": 9.42, "admet": 5.62, "novelty": 2.57, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 7.46, "LE": 0.444, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.575, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.509, "ld50-zhu": 0.325, "herg": 0.726, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.390273641551999, "aff_pf": -1.45646333694458, "aff_hs": -0.30649423599243164, "repeats_pf": {"runs": 3, "values": [-1.4305, -1.4615, -1.4774], "mean": -1.4565, "spread": 0.0469}, "repeats_hs": {"runs": 3, "values": [-0.276, -0.2903, -0.3532], "mean": -0.3065, "spread": 0.0772}, "at": 1786791593}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782947, "scored_at": 1786791593, "alerts": [], "rank": 1885}, {"candidate_id": "ODC-BE46AA", "res_at": 1786808274, "skeleton": "GZFHLEUSMZZHNF", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.843, "axes": {"activity": 14.02, "binding": 15.68, "selectivity": 10.24, "admet": 4.45, "novelty": 2.76, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.784, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.2, "selectivity_term": 0.653, "target_engagement": 0.784}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.886, "cyp2c9-veith": 0.482, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.398, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.441243358473952, "aff_pf": -1.3518809080123901, "aff_hs": -0.04556716481844584, "repeats_pf": {"runs": 3, "values": [-1.2109, -1.3922, -1.4526], "mean": -1.3519, "spread": 0.2417}, "repeats_hs": {"runs": 3, "values": [-0.0391, -0.0174, -0.0801], "mean": -0.0456, "spread": 0.0627}, "at": 1786808274}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789356, "scored_at": 1786808274, "alerts": [], "rank": 1886}, {"candidate_id": "ODC-33177A", "res_at": 1786953558, "skeleton": "LONCGSMFVROVDR", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-13", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.834, "axes": {"activity": 13.4, "binding": 14.1, "selectivity": 11.7, "admet": 4.51, "novelty": 3.71, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 7.12, "LE": 0.443, "potency_term": 0.705, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.6, "selectivity_term": 0.83, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.381, "herg": 0.573, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.403936630464043, "aff_pf": -1.115736444791158, "aff_hs": 0.5436531007289886, "repeats_pf": {"runs": 3, "values": [-1.0453, -1.2045, -1.0974], "mean": -1.1157, "spread": 0.1592}, "repeats_hs": {"runs": 3, "values": [0.592, 0.496, 0.5429], "mean": 0.5437, "spread": 0.0961}, "at": 1786953558}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949082, "scored_at": 1786953558, "alerts": [], "rank": 1887}, {"candidate_id": "ODC-E7044B", "res_at": 1789883408, "skeleton": "SQDOAOGDQKLHIS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········c1C#N", "total": 50.832, "axes": {"activity": 21.66, "binding": 13.15, "selectivity": 4.88, "admet": 3.82, "novelty": 4.46, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.9, "fraction": 0.722}, "binding": {"pIC50": 6.97, "LE": 0.354, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.077, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.542, "herg": 0.182, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "2", "pAct_q10": 5.899595050742794, "aff_pf": -0.9732159376144409, "aff_hs": -0.23149819672107697, "repeats_pf": {"runs": 3, "values": [-0.9346, -1.0165, -0.9686], "mean": -0.9732, "spread": 0.0819}, "repeats_hs": {"runs": 3, "values": [-0.2694, -0.1597, -0.2654], "mean": -0.2315, "spread": 0.1097}, "at": 1789883408}, "tier": 1, "alerts": [], "total_sd": 0.357, "total_ci95": [50.169, 51.519], "relegate_reason": [], "submitted_at": 1789657757, "scored_at": 1789883408, "rank": 1888}, {"candidate_id": "ODC-A7B5B1", "res_at": 1788067754, "skeleton": "OYJZDXJGWGRBHK", "hf_user": "Bio-JS", "display_name": "18 A6 오쏘 C->N", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.831, "axes": {"activity": 18.51, "binding": 13.47, "selectivity": 8.51, "admet": 3.18, "novelty": 4.38, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.71, "fraction": 0.617}, "binding": {"pIC50": 7.16, "LE": 0.28, "potency_term": 0.721, "efficiency_cap": 0.934}, "selectivity": {"fold": 15.2, "selectivity_term": 0.59, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.710472963083788, "aff_pf": -1.1620028813680012, "aff_hs": 0.018624549110730488, "repeats_pf": {"runs": 3, "values": [-1.147, -1.2221, -1.1169], "mean": -1.162, "spread": 0.1053}, "repeats_hs": {"runs": 3, "values": [0.0463, 0.0209, -0.0113], "mean": 0.0186, "spread": 0.0576}, "at": 1788067754}, "tier": 1, "alerts": [], "total_sd": 0.645, "total_ci95": [49.807, 52.38], "relegate_reason": [], "submitted_at": 1788017450, "scored_at": 1788067754, "rank": 1889}, {"candidate_id": "ODC-D25E3D", "res_at": 1787439561, "skeleton": "SKFNOPBUKMULQR", "hf_user": "Ku-ku", "display_name": "Q1_core_NMe2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 50.825, "axes": {"activity": 21.48, "binding": 10.55, "selectivity": 5.62, "admet": 5.57, "novelty": 4.52, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.889, "fraction": 0.716}, "binding": {"pIC50": 6.58, "LE": 0.361, "potency_term": 0.528, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.532, "target_engagement": 0.528}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.829, "ld50-zhu": 0.414, "herg": 0.407, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.8890362145482795, "aff_pf": -0.5829590757687887, "aff_hs": 0.48124391833941144, "repeats_pf": {"runs": 3, "values": [-0.6191, -0.5189, -0.611], "mean": -0.583, "spread": 0.1002}, "repeats_hs": {"runs": 3, "values": [0.487, 0.4215, 0.5352], "mean": 0.4812, "spread": 0.1137}, "at": 1787439561}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438793, "scored_at": 1787439561, "alerts": [], "rank": 1890}, {"candidate_id": "ODC-ADEBD2", "res_at": 1787887123, "skeleton": "KEUCSEHSHYJVNG", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L20", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCN(c1c··········)nn12", "total": 50.813, "axes": {"activity": 26.63, "binding": 9.03, "selectivity": 0.0, "admet": 5.02, "novelty": 6.82, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.198, "fraction": 0.888}, "binding": {"pIC50": 6.35, "LE": 0.322, "potency_term": 0.451, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.451}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.459, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.483, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.234}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.197520372035519, "aff_pf": -0.35432544350624084, "aff_hs": -0.6036102076371511, "repeats_pf": {"runs": 3, "values": [-0.4881, -0.2768, -0.2981], "mean": -0.3543, "spread": 0.2113}, "repeats_hs": {"runs": 3, "values": [-0.2799, -0.6944, -0.8366], "mean": -0.6036, "spread": 0.5567}, "at": 1787887123}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822377, "scored_at": 1787887123, "alerts": [], "rank": 1891}, {"candidate_id": "ODC-EC1575", "res_at": 1789369248, "skeleton": "KOFQIFSJBJZPTE", "hf_user": "Bio-JS", "display_name": "0914-S1-repl01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 50.812, "axes": {"activity": 12.69, "binding": 15.53, "selectivity": 9.26, "admet": 5.66, "novelty": 4.37, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.361, "fraction": 0.423}, "binding": {"pIC50": 7.33, "LE": 0.402, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.596, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.472, "herg": 0.296, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.36121071107421, "aff_pf": -1.3292359511057537, "aff_hs": -0.13637437423070273, "repeats_pf": {"runs": 3, "values": [-1.2991, -1.345, -1.3436], "mean": -1.3292, "spread": 0.0458}, "repeats_hs": {"runs": 3, "values": [-0.0986, -0.1549, -0.1556], "mean": -0.1364, "spread": 0.057}, "at": 1789369248}, "tier": 1, "alerts": [], "total_sd": 0.321, "total_ci95": [50.088, 51.331], "relegate_reason": [], "submitted_at": 1789346688, "scored_at": 1789369248, "rank": 1892}, {"candidate_id": "ODC-081528", "res_at": 1788534404, "skeleton": "NUBFWHXTHROMCJ", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 50.806, "axes": {"activity": 11.91, "binding": 16.82, "selectivity": 9.45, "admet": 5.07, "novelty": 3.65, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 7.52, "LE": 0.429, "potency_term": 0.841, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.841}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.874, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.516, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.314833438824115, "aff_pf": -1.5236637194951375, "aff_hs": -0.3997226059436798, "repeats_pf": {"runs": 3, "values": [-1.4932, -1.5591, -1.5187], "mean": -1.5237, "spread": 0.0659}, "repeats_hs": {"runs": 3, "values": [-0.3615, -0.4252, -0.4124], "mean": -0.3997, "spread": 0.0637}, "at": 1788534404}, "tier": 1, "alerts": [], "total_sd": 0.393, "total_ci95": [50.108, 51.655], "relegate_reason": [], "submitted_at": 1788489632, "scored_at": 1788534404, "rank": 1893}, {"candidate_id": "ODC-1B97D1", "res_at": 1788189468, "skeleton": "FZQKYVVUTMCHBZ", "hf_user": "Ku-ku", "display_name": "KK-M-0831-719", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 50.791, "axes": {"activity": 22.09, "binding": 12.62, "selectivity": 5.21, "admet": 3.56, "novelty": 5.17, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.925, "fraction": 0.736}, "binding": {"pIC50": 6.89, "LE": 0.315, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.597, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "0", "pAct_q10": 5.92522308387423, "aff_pf": -0.8930989702542623, "aff_hs": -0.06686792274316151, "repeats_pf": {"runs": 3, "values": [-0.9137, -0.9247, -0.8409], "mean": -0.8931, "spread": 0.0838}, "repeats_hs": {"runs": 3, "values": [0.1056, -0.1825, -0.1237], "mean": -0.0669, "spread": 0.2881}, "at": 1788189468}, "tier": 1, "alerts": [], "total_sd": 0.564, "total_ci95": [49.757, 51.879], "relegate_reason": [], "submitted_at": 1788186783, "scored_at": 1788189468, "rank": 1894}, {"candidate_id": "ODC-54630E", "res_at": 1788577882, "skeleton": "KZJMNEOPHVOQJE", "hf_user": "Bio-JS", "display_name": "0905-S1-17 Et/Me/Br/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 50.786, "axes": {"activity": 13.95, "binding": 14.47, "selectivity": 12.05, "admet": 4.89, "novelty": 1.85, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 7.17, "LE": 0.468, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.2, "selectivity_term": 0.832, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.299, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.381, "herg": 0.177, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.745, "novelty": 0.255}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 5.437250783236765, "aff_pf": -1.1708756685256958, "aff_hs": 0.49369322260220844, "repeats_pf": {"runs": 3, "values": [-1.1752, -1.1466, -1.1908], "mean": -1.1709, "spread": 0.0442}, "repeats_hs": {"runs": 3, "values": [0.443, 0.5481, 0.49], "mean": 0.4937, "spread": 0.1051}, "at": 1788577882}, "tier": 1, "alerts": [], "total_sd": 0.323, "total_ci95": [50.179, 51.411], "relegate_reason": [], "submitted_at": 1788560249, "scored_at": 1788577882, "rank": 1895}, {"candidate_id": "ODC-9358F6", "res_at": 1788994572, "skeleton": "NEXFIPRXEJPNJC", "hf_user": "Bio-JS", "display_name": "0910-S1-07", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 50.781, "axes": {"activity": 13.03, "binding": 14.44, "selectivity": 11.52, "admet": 5.31, "novelty": 3.3, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 7.17, "LE": 0.409, "potency_term": 0.722, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.4, "selectivity_term": 0.798, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.168, "ld50-zhu": 0.562, "herg": 0.722, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.38176573304914, "aff_pf": -1.1658815145492554, "aff_hs": 0.42943282922108966, "repeats_pf": {"runs": 3, "values": [-1.1098, -1.1979, -1.1899], "mean": -1.1659, "spread": 0.0881}, "repeats_hs": {"runs": 3, "values": [0.3965, 0.5389, 0.3529], "mean": 0.4294, "spread": 0.186}, "at": 1788994572}, "tier": 1, "alerts": [], "total_sd": 0.689, "total_ci95": [49.409, 51.961], "relegate_reason": [], "submitted_at": 1788993296, "scored_at": 1788994572, "rank": 1896}, {"candidate_id": "ODC-5ACF03", "res_at": 1786856514, "skeleton": "YWAWOVTYQZQDFV", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.771, "axes": {"activity": 12.95, "binding": 16.76, "selectivity": 8.97, "admet": 6.03, "novelty": 2.27, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 7.51, "LE": 0.412, "potency_term": 0.838, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.838}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.517, "herg": 0.276, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.376735138676743, "aff_pf": -1.51429017384847, "aff_hs": -0.444211150209109, "repeats_pf": {"runs": 3, "values": [-1.5235, -1.4755, -1.5438], "mean": -1.5143, "spread": 0.0683}, "repeats_hs": {"runs": 3, "values": [-0.5491, -0.1822, -0.6013], "mean": -0.4442, "spread": 0.4192}, "at": 1786856514}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847778, "scored_at": 1786856514, "alerts": [], "rank": 1897}, {"candidate_id": "ODC-267E8A", "res_at": 1789439606, "skeleton": "IPTGOOQQGPMTBD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCc1cc··········cc1Cl", "total": 50.771, "axes": {"activity": 8.99, "binding": 17.47, "selectivity": 9.93, "admet": 5.65, "novelty": 5.32, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.139, "fraction": 0.3}, "binding": {"pIC50": 7.62, "LE": 0.418, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.455, "cyp2c9-veith": 0.192, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.139182683438429, "aff_pf": -1.6206326484680176, "aff_hs": -0.4843822518984477, "repeats_pf": {"runs": 3, "values": [-1.569, -1.6078, -1.6851], "mean": -1.6206, "spread": 0.1161}, "repeats_hs": {"runs": 3, "values": [-0.3446, -0.4018, -0.7067], "mean": -0.4844, "spread": 0.3622}, "at": 1789439606}, "tier": 1, "alerts": [], "total_sd": 1.083, "total_ci95": [48.782, 52.801], "relegate_reason": [], "submitted_at": 1789435762, "scored_at": 1789439606, "rank": 1898}, {"candidate_id": "ODC-9C0844", "res_at": 1787607234, "skeleton": "ZWDSECNZVMCYMN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.766, "axes": {"activity": 19.28, "binding": 11.35, "selectivity": 10.33, "admet": 3.24, "novelty": 4.31, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.757, "fraction": 0.643}, "binding": {"pIC50": 6.98, "LE": 0.258, "potency_term": 0.659, "efficiency_cap": 0.861}, "selectivity": {"fold": 36.9, "selectivity_term": 0.783, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.84, "ld50-zhu": 0.715, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.757047168537365, "aff_pf": -0.9772948424021403, "aff_hs": 0.5893294215202332, "repeats_pf": {"runs": 3, "values": [-0.9783, -0.9396, -1.014], "mean": -0.9773, "spread": 0.0744}, "repeats_hs": {"runs": 3, "values": [0.5824, 0.6608, 0.5247], "mean": 0.5893, "spread": 0.1361}, "at": 1787607234}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605371, "scored_at": 1787607234, "alerts": [], "rank": 1899}, {"candidate_id": "ODC-DF5B89", "res_at": 1787244635, "skeleton": "OIPBABDYJSJAFF", "hf_user": "1Dmeds", "display_name": "ODC26-R15-09", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1C", "total": 50.752, "axes": {"activity": 20.68, "binding": 11.21, "selectivity": 6.65, "admet": 5.08, "novelty": 4.11, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.841, "fraction": 0.689}, "binding": {"pIC50": 6.68, "LE": 0.381, "potency_term": 0.561, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.4, "selectivity_term": 0.593, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.494, "cyp3a4-substrate-carbonmangels": 0.282, "ld50-zhu": 0.388, "herg": 0.916, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.840705282091119, "aff_pf": -0.6816712617874146, "aff_hs": 0.5052650570869446, "repeats_pf": {"runs": 3, "values": [-0.6439, -0.7437, -0.6574], "mean": -0.6817, "spread": 0.0998}, "repeats_hs": {"runs": 3, "values": [0.721, 0.4685, 0.3263], "mean": 0.5053, "spread": 0.3947}, "at": 1787244635}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238552, "scored_at": 1787244635, "alerts": [], "rank": 1900}, {"candidate_id": "ODC-971924", "res_at": 1788316991, "skeleton": "XONKOTDQUJPOIC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.749, "axes": {"activity": 14.76, "binding": 16.79, "selectivity": 4.48, "admet": 6.8, "novelty": 4.13, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 7.52, "LE": 0.429, "potency_term": 0.84, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.267, "target_engagement": 0.84}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.673, "ld50-zhu": 0.716, "herg": 0.652, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.48555718314965, "aff_pf": -1.5188651879628499, "aff_hs": -0.9853296677271525, "repeats_pf": {"runs": 3, "values": [-1.4732, -1.4942, -1.5892], "mean": -1.5189, "spread": 0.1161}, "repeats_hs": {"runs": 3, "values": [-1.0699, -0.9384, -0.9477], "mean": -0.9853, "spread": 0.1315}, "at": 1788316991}, "tier": 1, "alerts": [], "total_sd": 0.733, "total_ci95": [49.54, 52.031], "relegate_reason": [], "submitted_at": 1788316094, "scored_at": 1788316991, "rank": 1901}, {"candidate_id": "ODC-2DC553", "res_at": 1788612752, "skeleton": "TZCPHVGPJINXCL", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 50.735, "axes": {"activity": 12.87, "binding": 15.22, "selectivity": 10.95, "admet": 4.29, "novelty": 3.93, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 7.28, "LE": 0.37, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.5, "selectivity_term": 0.719, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.479, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.842, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.3722254149020365, "aff_pf": -1.2837198972702026, "aff_hs": 0.1549036701520284, "repeats_pf": {"runs": 3, "values": [-1.289, -1.3405, -1.2217], "mean": -1.2837, "spread": 0.1188}, "repeats_hs": {"runs": 3, "values": [0.1629, 0.208, 0.0939], "mean": 0.1549, "spread": 0.1141}, "at": 1788612752}, "tier": 1, "alerts": [], "total_sd": 0.677, "total_ci95": [49.326, 52.119], "relegate_reason": [], "submitted_at": 1788583715, "scored_at": 1788612752, "rank": 1902}, {"candidate_id": "ODC-4EA7B5", "res_at": 1789264637, "skeleton": "PXBPFWNUELYSMU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 50.735, "axes": {"activity": 13.19, "binding": 15.75, "selectivity": 10.24, "admet": 4.22, "novelty": 3.87, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.44}, "binding": {"pIC50": 7.36, "LE": 0.403, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.0, "selectivity_term": 0.65, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.345, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.78, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.391220105335398, "aff_pf": -1.3628726800282795, "aff_hs": -0.062363083163897194, "repeats_pf": {"runs": 3, "values": [-1.4184, -1.3247, -1.3456], "mean": -1.3629, "spread": 0.0937}, "repeats_hs": {"runs": 3, "values": [-0.0088, -0.193, 0.0148], "mean": -0.0624, "spread": 0.2078}, "at": 1789264637}, "tier": 1, "alerts": [], "total_sd": 0.65, "total_ci95": [49.459, 52.002], "relegate_reason": [], "submitted_at": 1789262926, "scored_at": 1789264637, "rank": 1903}, {"candidate_id": "ODC-5E2941", "res_at": 1787704947, "skeleton": "KRVUBNKBXRKSCF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 50.712, "axes": {"activity": 13.06, "binding": 14.05, "selectivity": 11.94, "admet": 5.64, "novelty": 2.7, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.435}, "binding": {"pIC50": 7.11, "LE": 0.443, "potency_term": 0.703, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.0, "selectivity_term": 0.849, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.93, "ld50-zhu": 0.328, "herg": 0.718, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.615, "novelty": 0.385}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.383804630194528, "aff_pf": -1.1080828507741292, "aff_hs": 0.5905793507893881, "repeats_pf": {"runs": 3, "values": [-1.0608, -1.1262, -1.1373], "mean": -1.1081, "spread": 0.0765}, "repeats_hs": {"runs": 3, "values": [0.5382, 0.6491, 0.5845], "mean": 0.5906, "spread": 0.1109}, "at": 1787704947}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702877, "scored_at": 1787704947, "alerts": [], "rank": 1904}, {"candidate_id": "ODC-DD480D", "res_at": 1787704159, "skeleton": "LZRNDVCFEFLITJ", "hf_user": "Bio-JS", "display_name": "요인 NH고리 × 플루오로메틸 [음의 대조]", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.698, "axes": {"activity": 20.15, "binding": 10.14, "selectivity": 9.91, "admet": 3.21, "novelty": 4.59, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.809, "fraction": 0.672}, "binding": {"pIC50": 6.81, "LE": 0.252, "potency_term": 0.603, "efficiency_cap": 0.84}, "selectivity": {"fold": 43.9, "selectivity_term": 0.821, "target_engagement": 0.603}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.292, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.165}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.808960280080093, "aff_pf": -0.8097289601961771, "aff_hs": 0.8329380551973978, "repeats_pf": {"runs": 3, "values": [-0.946, -0.8212, -0.6619], "mean": -0.8097, "spread": 0.2841}, "repeats_hs": {"runs": 3, "values": [0.8849, 0.8463, 0.7676], "mean": 0.8329, "spread": 0.1173}, "at": 1787704159}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702803, "scored_at": 1787704159, "alerts": [], "rank": 1905}, {"candidate_id": "ODC-266618", "res_at": 1788768825, "skeleton": "FXADMGZVWARPRI", "hf_user": "Bio-JS", "display_name": "0906-S1-14 SCHF2/F/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1nc2n··········)c1Cl", "total": 50.69, "axes": {"activity": 19.3, "binding": 14.71, "selectivity": 4.75, "admet": 4.06, "novelty": 4.94, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.758, "fraction": 0.643}, "binding": {"pIC50": 7.21, "LE": 0.38, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.513, "ld50-zhu": 0.51, "herg": 0.249, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.7582293429729825, "aff_pf": -1.2067071596781414, "aff_hs": -0.5605727632840475, "repeats_pf": {"runs": 3, "values": [-1.2137, -1.2089, -1.1975], "mean": -1.2067, "spread": 0.0162}, "repeats_hs": {"runs": 3, "values": [-0.4696, -0.6928, -0.5193], "mean": -0.5606, "spread": 0.2233}, "at": 1788768825}, "tier": 1, "alerts": [], "total_sd": 0.408, "total_ci95": [49.832, 51.394], "relegate_reason": [], "submitted_at": 1788665989, "scored_at": 1788768825, "rank": 1906}, {"candidate_id": "ODC-C3597A", "res_at": 1787410118, "skeleton": "SNPNSVRQAGQDGD", "hf_user": "Ku-ku", "display_name": "E3_sulfoxide", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.688, "axes": {"activity": 9.09, "binding": 15.07, "selectivity": 15.04, "admet": 5.76, "novelty": 3.13, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.145, "fraction": 0.303}, "binding": {"pIC50": 7.26, "LE": 0.432, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 99.4, "selectivity_term": 0.999, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.367, "cyp3a4-substrate-carbonmangels": 0.232, "ld50-zhu": 0.333, "herg": 0.838, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.145478039682479, "aff_pf": -1.2598905563354492, "aff_hs": 0.7372811436653137, "repeats_pf": {"runs": 3, "values": [-1.2665, -1.3073, -1.2058], "mean": -1.2599, "spread": 0.1015}, "repeats_hs": {"runs": 3, "values": [0.8371, 0.5722, 0.8026], "mean": 0.7373, "spread": 0.2649}, "at": 1787410118}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407693, "scored_at": 1787410118, "alerts": [], "rank": 1907}, {"candidate_id": "ODC-74E525", "res_at": 1788533541, "skeleton": "WZVDTCPUCIXSLI", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 50.687, "axes": {"activity": 17.68, "binding": 15.21, "selectivity": 5.65, "admet": 4.83, "novelty": 4.25, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.661, "fraction": 0.589}, "binding": {"pIC50": 7.28, "LE": 0.384, "potency_term": 0.76, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.372, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.539, "herg": 0.172, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.660885061405489, "aff_pf": -1.2808422247568767, "aff_hs": -0.5373810728391012, "repeats_pf": {"runs": 3, "values": [-1.1875, -1.3719, -1.2831], "mean": -1.2808, "spread": 0.1843}, "repeats_hs": {"runs": 3, "values": [-0.6211, -0.4742, -0.5168], "mean": -0.5374, "spread": 0.1469}, "at": 1788533541}, "tier": 1, "alerts": [], "total_sd": 0.887, "total_ci95": [48.91, 52.439], "relegate_reason": [], "submitted_at": 1788489623, "scored_at": 1788533541, "rank": 1908}, {"candidate_id": "ODC-9F5EEB", "res_at": 1786934476, "skeleton": "XQVGHWFCDCKNSQ", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 50.675, "axes": {"activity": 11.91, "binding": 17.33, "selectivity": 8.34, "admet": 5.53, "novelty": 3.97, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 7.6, "LE": 0.386, "potency_term": 0.867, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.481, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.435, "herg": 0.093, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.3145398112463855, "aff_pf": -1.5998605092366536, "aff_hs": -0.6376262505849203, "repeats_pf": {"runs": 3, "values": [-1.566, -1.628, -1.6056], "mean": -1.5999, "spread": 0.0621}, "repeats_hs": {"runs": 3, "values": [-0.684, -0.6588, -0.5701], "mean": -0.6376, "spread": 0.1139}, "at": 1786934476}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926462, "scored_at": 1786934476, "alerts": [], "rank": 1909}, {"candidate_id": "ODC-22453C", "res_at": 1788229273, "skeleton": "WFGDKJYYXPOOJR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 50.671, "axes": {"activity": 11.7, "binding": 15.29, "selectivity": 10.98, "admet": 5.92, "novelty": 3.88, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 7.29, "LE": 0.4, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.93, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.491, "herg": 0.65, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.302080165784162, "aff_pf": -1.293596863746643, "aff_hs": 0.14322711527347565, "repeats_pf": {"runs": 3, "values": [-1.2259, -1.2915, -1.3633], "mean": -1.2936, "spread": 0.1374}, "repeats_hs": {"runs": 3, "values": [0.1206, 0.1466, 0.1625], "mean": 0.1432, "spread": 0.0419}, "at": 1788229273}, "tier": 1, "alerts": [], "total_sd": 0.841, "total_ci95": [49.083, 52.473], "relegate_reason": [], "submitted_at": 1788172747, "scored_at": 1788229273, "rank": 1910}, {"candidate_id": "ODC-4C6760", "res_at": 1787172766, "skeleton": "RRCSHLDFVLBAAV", "hf_user": "1Dmeds", "display_name": "ODC26-FN-06", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 50.666, "axes": {"activity": 22.47, "binding": 8.47, "selectivity": 6.31, "admet": 5.8, "novelty": 4.4, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.948, "fraction": 0.749}, "binding": {"pIC50": 6.27, "LE": 0.358, "potency_term": 0.424, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.9, "selectivity_term": 0.745, "target_engagement": 0.424}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.428, "cyp3a4-substrate-carbonmangels": 0.337, "ld50-zhu": 0.382, "herg": 0.871, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.948190018355528, "aff_pf": -0.2705674519141515, "aff_hs": 1.2193913459777832, "repeats_pf": {"runs": 3, "values": [-0.4062, -0.064, -0.3415], "mean": -0.2706, "spread": 0.3423}, "repeats_hs": {"runs": 3, "values": [1.1028, 1.293, 1.2623], "mean": 1.2194, "spread": 0.1901}, "at": 1787172766}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171655, "scored_at": 1787172766, "alerts": [], "rank": 1911}, {"candidate_id": "ODC-63523B", "res_at": 1787635433, "skeleton": "RJMOSVLTXURRDL", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Br", "total": 50.664, "axes": {"activity": 14.29, "binding": 15.45, "selectivity": 8.33, "admet": 5.76, "novelty": 3.74, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.457, "fraction": 0.476}, "binding": {"pIC50": 7.32, "LE": 0.386, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.539, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.194, "ld50-zhu": 0.51, "herg": 0.4, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.457173601488308, "aff_pf": -1.3177586396535237, "aff_hs": -0.2393626868724823, "repeats_pf": {"runs": 3, "values": [-1.3029, -1.3281, -1.3223], "mean": -1.3178, "spread": 0.0253}, "repeats_hs": {"runs": 3, "values": [-0.1607, -0.297, -0.2604], "mean": -0.2394, "spread": 0.1364}, "at": 1787635433}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633868, "scored_at": 1787635433, "alerts": [], "rank": 1912}, {"candidate_id": "ODC-C242F3", "res_at": 1787569168, "skeleton": "FVAWXVKGMGOXKL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········(F)C1", "total": 50.664, "axes": {"activity": 25.72, "binding": 8.85, "selectivity": 0.0, "admet": 7.83, "novelty": 6.6, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 6.143, "fraction": 0.857}, "binding": {"pIC50": 6.37, "LE": 0.291, "potency_term": 0.456, "efficiency_cap": 0.97}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.456}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 0.971, "pgp-broccatelli": 0.666, "cyp2c9-veith": 0.953, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.23, "novelty": 0.77}, "synthesis": {"sa_score": 4.64}}, "run": {"gpu": "3", "pAct_q10": 6.143146256920009, "aff_pf": -0.36910126606623334, "aff_hs": -0.5681105057398478, "repeats_pf": {"runs": 3, "values": [-0.2969, -0.6303, -0.1801], "mean": -0.3691, "spread": 0.4502}, "repeats_hs": {"runs": 3, "values": [-0.6532, -0.5366, -0.5146], "mean": -0.5681, "spread": 0.1386}, "at": 1787569168}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566845, "scored_at": 1787569168, "alerts": [], "rank": 1913}, {"candidate_id": "ODC-E49AAF", "res_at": 1789996647, "skeleton": "WXSSILNXKHPZEI", "hf_user": "Bio-JS", "display_name": "0921-S1-16", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 50.664, "axes": {"activity": 8.64, "binding": 15.1, "selectivity": 13.51, "admet": 6.32, "novelty": 3.71, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.118, "fraction": 0.288}, "binding": {"pIC50": 7.27, "LE": 0.433, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.6, "selectivity_term": 0.895, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.44, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.446, "cyp3a4-substrate-carbonmangels": 0.732, "ld50-zhu": 0.388, "herg": 0.623, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.118277482159817, "aff_pf": -1.2652653058369954, "aff_hs": 0.5245696107546488, "repeats_pf": {"runs": 3, "values": [-1.3051, -1.2348, -1.2559], "mean": -1.2653, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [0.6278, 0.51, 0.436], "mean": 0.5246, "spread": 0.1918}, "at": 1789996647}, "tier": 1, "alerts": [], "total_sd": 0.572, "total_ci95": [49.58, 51.899], "relegate_reason": [], "submitted_at": 1789990245, "scored_at": 1789996647, "rank": 1914}, {"candidate_id": "ODC-BCB8C0", "res_at": 1788619343, "skeleton": "JAUOUVVRWGGMOQ", "hf_user": "Ku-ku", "display_name": "KK-M-0905-279", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 50.64, "axes": {"activity": 12.09, "binding": 16.21, "selectivity": 9.91, "admet": 4.62, "novelty": 4.25, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.325, "fraction": 0.403}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.611, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.447, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.517, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.325192775238303, "aff_pf": -1.4315773646036785, "aff_hs": -0.2090753118197123, "repeats_pf": {"runs": 3, "values": [-1.3435, -1.4639, -1.4873], "mean": -1.4316, "spread": 0.1438}, "repeats_hs": {"runs": 3, "values": [-0.2555, -0.198, -0.1738], "mean": -0.2091, "spread": 0.0817}, "at": 1788619343}, "tier": 1, "alerts": [], "total_sd": 0.852, "total_ci95": [48.705, 52.053], "relegate_reason": [], "submitted_at": 1788589412, "scored_at": 1788619343, "rank": 1915}, {"candidate_id": "ODC-999070", "res_at": 1787323241, "skeleton": "TVZWIZXREHJYTO", "hf_user": "Ku-ku", "display_name": "C_4I_3CF3", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.632, "axes": {"activity": 19.07, "binding": 15.24, "selectivity": 4.71, "admet": 4.47, "novelty": 3.87, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.636}, "binding": {"pIC50": 7.29, "LE": 0.384, "potency_term": 0.762, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.309, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.556, "ld50-zhu": 0.572, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.7442526546115955, "aff_pf": -1.286539872487386, "aff_hs": -0.6683637201786041, "repeats_pf": {"runs": 3, "values": [-1.3158, -1.2762, -1.2676], "mean": -1.2865, "spread": 0.0482}, "repeats_hs": {"runs": 3, "values": [-0.8545, -0.7879, -0.3627], "mean": -0.6684, "spread": 0.4919}, "at": 1787323241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322678, "scored_at": 1787323241, "alerts": [], "rank": 1916}, {"candidate_id": "ODC-0E1E1B", "res_at": 1787188918, "skeleton": "UNDASRBASYBGAO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 50.595, "axes": {"activity": 23.43, "binding": 12.13, "selectivity": 1.06, "admet": 6.04, "novelty": 4.61, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 6.006, "fraction": 0.781}, "binding": {"pIC50": 6.82, "LE": 0.359, "potency_term": 0.606, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.088, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.526, "cyp3a4-substrate-carbonmangels": 0.859, "ld50-zhu": 0.538, "herg": 0.311, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 6.006061074143081, "aff_pf": -0.8190099398295084, "aff_hs": -0.643974781036377, "repeats_pf": {"runs": 3, "values": [-0.8391, -0.7926, -0.8254], "mean": -0.819, "spread": 0.0465}, "repeats_hs": {"runs": 3, "values": [-0.6501, -0.6689, -0.613], "mean": -0.644, "spread": 0.0559}, "at": 1787188918}, "tier": 1, "relegate_reason": [], "submitted_at": 1787186094, "scored_at": 1787188918, "alerts": [], "rank": 1917}, {"candidate_id": "ODC-661FA2", "res_at": 1787242651, "skeleton": "ACDPYXLSSGOJEN", "hf_user": "Ku-ku", "display_name": "N7_5Et", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 50.584, "axes": {"activity": 20.57, "binding": 12.72, "selectivity": 5.91, "admet": 4.97, "novelty": 3.31, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.834, "fraction": 0.686}, "binding": {"pIC50": 6.91, "LE": 0.411, "potency_term": 0.636, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.465, "target_engagement": 0.636}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.577, "ld50-zhu": 0.339, "herg": 0.596, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.834143240553442, "aff_pf": -0.9083768924077352, "aff_hs": 0.02132558822631836, "repeats_pf": {"runs": 3, "values": [-1.0224, -0.8207, -0.8821], "mean": -0.9084, "spread": 0.2017}, "repeats_hs": {"runs": 3, "values": [0.0377, 0.0344, -0.0081], "mean": 0.0213, "spread": 0.0458}, "at": 1787242651}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238148, "scored_at": 1787242651, "alerts": [], "rank": 1918}, {"candidate_id": "ODC-DA3D55", "res_at": 1787062885, "skeleton": "UTYFPTHVGZABLV", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 50.584, "axes": {"activity": 28.27, "binding": 6.53, "selectivity": 1.5, "admet": 3.94, "novelty": 6.48, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.296, "fraction": 0.942}, "binding": {"pIC50": 6.24, "LE": 0.237, "potency_term": 0.413, "efficiency_cap": 0.791}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.413}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.885, "ld50-zhu": 0.809, "herg": 0.05, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.296268951340004, "aff_pf": -0.23821970323721567, "aff_hs": 0.12480870882670085, "repeats_pf": {"runs": 3, "values": [-0.3024, 0.1376, -0.5499], "mean": -0.2382, "spread": 0.6875}, "repeats_hs": {"runs": 3, "values": [0.0228, -0.0162, 0.3678], "mean": 0.1248, "spread": 0.384}, "at": 1787062885}, "tier": 1, "relegate_reason": [], "submitted_at": 1787061326, "scored_at": 1787062885, "alerts": [], "rank": 1919}, {"candidate_id": "ODC-594EBE", "res_at": 1787048041, "skeleton": "BKHOKGCSGNOGPS", "hf_user": "ghost613", "display_name": "MAL-G3-03 OMe/5-Cl/3-F-4-CF3", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 50.582, "axes": {"activity": 14.05, "binding": 14.69, "selectivity": 9.54, "admet": 5.65, "novelty": 3.34, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.468}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.9, "selectivity_term": 0.649, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.936, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.534, "ld50-zhu": 0.374, "herg": 0.544, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.4431048250538945, "aff_pf": -1.20370352268219, "aff_hs": 0.09511271367470424, "repeats_pf": {"runs": 3, "values": [-1.2219, -1.2058, -1.1834], "mean": -1.2037, "spread": 0.0384}, "repeats_hs": {"runs": 3, "values": [-0.0092, 0.0826, 0.2119], "mean": 0.0951, "spread": 0.2212}, "at": 1787048041}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043691, "scored_at": 1787048041, "alerts": [], "rank": 1920}, {"candidate_id": "ODC-C97D72", "res_at": 1786878056, "skeleton": "JSWDPUPRCQREQL", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.582, "axes": {"activity": 9.69, "binding": 16.85, "selectivity": 10.76, "admet": 4.7, "novelty": 5.27, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.182, "fraction": 0.323}, "binding": {"pIC50": 7.53, "LE": 0.397, "potency_term": 0.842, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.9, "selectivity_term": 0.638, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.233, "ld50-zhu": 0.747, "herg": 0.324, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.181673453122294, "aff_pf": -1.5274831056594849, "aff_hs": -0.2507136712471644, "repeats_pf": {"runs": 3, "values": [-1.5295, -1.5507, -1.5023], "mean": -1.5275, "spread": 0.0484}, "repeats_hs": {"runs": 3, "values": [-0.1758, -0.2401, -0.3363], "mean": -0.2507, "spread": 0.1605}, "at": 1786878056}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867899, "scored_at": 1786878056, "alerts": [], "rank": 1921}, {"candidate_id": "ODC-D45615", "res_at": 1789269901, "skeleton": "DNUCXSDVKLFBAQ", "hf_user": "Ku-ku", "display_name": "KK-M-0913-365", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 50.582, "axes": {"activity": 27.37, "binding": 5.38, "selectivity": 1.88, "admet": 5.75, "novelty": 6.5, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.242, "fraction": 0.912}, "binding": {"pIC50": 5.95, "LE": 0.255, "potency_term": 0.317, "efficiency_cap": 0.849}, "selectivity": {"fold": 3.9, "selectivity_term": 0.296, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.501, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.148, "ld50-zhu": 0.579, "herg": 0.05, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.241996924950764, "aff_pf": 0.049046566088994346, "aff_hs": 0.6419082880020142, "repeats_pf": {"runs": 3, "values": [-0.1674, 0.1436, 0.171], "mean": 0.049, "spread": 0.3384}, "repeats_hs": {"runs": 3, "values": [0.5788, 0.6786, 0.6684], "mean": 0.6419, "spread": 0.0998}, "at": 1789269901}, "tier": 1, "alerts": [], "total_sd": 1.026, "total_ci95": [49.227, 53.305], "relegate_reason": [], "submitted_at": 1789263760, "scored_at": 1789269901, "rank": 1922}, {"candidate_id": "ODC-5F0F32", "res_at": 1787325810, "skeleton": "KRFJSFGCVHTIAB", "hf_user": "Ku-ku", "display_name": "F_4Br_2F", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.578, "axes": {"activity": 17.52, "binding": 12.82, "selectivity": 8.93, "admet": 4.69, "novelty": 3.63, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.651, "fraction": 0.584}, "binding": {"pIC50": 6.92, "LE": 0.412, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.225, "cyp3a4-substrate-carbonmangels": 0.477, "ld50-zhu": 0.383, "herg": 0.684, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.651472521206605, "aff_pf": -0.9230120380719503, "aff_hs": 0.4707655111948649, "repeats_pf": {"runs": 3, "values": [-0.8406, -0.9772, -0.9512], "mean": -0.923, "spread": 0.1366}, "repeats_hs": {"runs": 3, "values": [0.5165, 0.5121, 0.3837], "mean": 0.4708, "spread": 0.1328}, "at": 1787325810}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322720, "scored_at": 1787325810, "alerts": [], "rank": 1923}, {"candidate_id": "ODC-FCF55E", "res_at": 1789881560, "skeleton": "UWWCGXKXGPOTFP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.575, "axes": {"activity": 23.58, "binding": 12.53, "selectivity": 2.29, "admet": 4.62, "novelty": 4.3, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.015, "fraction": 0.786}, "binding": {"pIC50": 6.88, "LE": 0.349, "potency_term": 0.626, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.151, "ld50-zhu": 0.439, "herg": 0.198, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 6.014629018010301, "aff_pf": -0.8791300058364868, "aff_hs": -0.513005405664444, "repeats_pf": {"runs": 3, "values": [-0.8175, -0.8312, -0.9887], "mean": -0.8791, "spread": 0.1712}, "repeats_hs": {"runs": 3, "values": [-0.4464, -0.5616, -0.531], "mean": -0.513, "spread": 0.1152}, "at": 1789881560}, "tier": 1, "alerts": [], "total_sd": 0.591, "total_ci95": [49.607, 51.642], "relegate_reason": [], "submitted_at": 1789657710, "scored_at": 1789881560, "rank": 1924}, {"candidate_id": "ODC-A68857", "res_at": 1787871752, "skeleton": "LIGAVRDHDIMKBH", "hf_user": "Moonweave", "display_name": "M5AI-F12-AMD-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 50.557, "axes": {"activity": 15.53, "binding": 17.41, "selectivity": 4.89, "admet": 3.24, "novelty": 5.6, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 7.61, "LE": 0.336, "potency_term": 0.87, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.281, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.593}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.5317306601147465, "aff_pf": -1.6111030181248982, "aff_hs": -1.049215277036031, "repeats_pf": {"runs": 3, "values": [-1.623, -1.5858, -1.6244], "mean": -1.6111, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [-1.1956, -1.0443, -0.9077], "mean": -1.0492, "spread": 0.2879}, "at": 1787846318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791026, "scored_at": 1787846318, "alerts": [], "rank": 1925}, {"candidate_id": "ODC-8868D9", "res_at": 1786845640, "skeleton": "PGJROIQXAMETIU", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(Cl)c(F)c3)n2n1", "smiles_masked": null, "total": 50.555, "axes": {"activity": 12.76, "binding": 15.66, "selectivity": 8.99, "admet": 6.13, "novelty": 3.31, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.425}, "binding": {"pIC50": 7.35, "LE": 0.479, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.574, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.643, "ld50-zhu": 0.39, "herg": 0.567, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.365853125110445, "aff_pf": -1.3483773469924927, "aff_hs": -0.20019729932149252, "repeats_pf": {"runs": 3, "values": [-1.3636, -1.3092, -1.3724], "mean": -1.3484, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [-0.1465, -0.1494, -0.3047], "mean": -0.2002, "spread": 0.1581}, "at": 1786845640}, "tier": 1, "relegate_reason": [], "submitted_at": 1786843466, "scored_at": 1786845640, "alerts": [], "rank": 1926}, {"candidate_id": "ODC-4CB6A0", "res_at": 1788232575, "skeleton": "OHPBNXPBTBKKBX", "hf_user": "Ku-ku", "display_name": "KK-M-0831-677", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 50.548, "axes": {"activity": 12.97, "binding": 13.73, "selectivity": 13.73, "admet": 3.5, "novelty": 4.51, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 7.06, "LE": 0.333, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 127.1, "selectivity_term": 1.0, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.609, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.796, "ld50-zhu": 0.706, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "3", "pAct_q10": 5.377971233539148, "aff_pf": -1.059122920036316, "aff_hs": 1.045084794362386, "repeats_pf": {"runs": 3, "values": [-1.0547, -1.0862, -1.0365], "mean": -1.0591, "spread": 0.0496}, "repeats_hs": {"runs": 3, "values": [1.0603, 1.0797, 0.9952], "mean": 1.0451, "spread": 0.0845}, "at": 1788232575}, "tier": 1, "alerts": [], "total_sd": 0.221, "total_ci95": [50.135, 51.043], "relegate_reason": [], "submitted_at": 1788186830, "scored_at": 1788232575, "rank": 1927}, {"candidate_id": "ODC-BC1D62", "res_at": 1786854574, "skeleton": "QLSLBVWNZOBKTL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.533, "axes": {"activity": 17.1, "binding": 14.63, "selectivity": 6.9, "admet": 5.49, "novelty": 2.93, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 7.19, "LE": 0.394, "potency_term": 0.732, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.472, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 0.303, "ld50-zhu": 0.655, "herg": 0.146, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.625939457984642, "aff_pf": -1.1946254173914592, "aff_hs": -0.25114138424396515, "repeats_pf": {"runs": 3, "values": [-1.1837, -1.1777, -1.2225], "mean": -1.1946, "spread": 0.0447}, "repeats_hs": {"runs": 3, "values": [-0.2426, -0.2192, -0.2916], "mean": -0.2511, "spread": 0.0724}, "at": 1786854574}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847689, "scored_at": 1786854574, "alerts": [], "rank": 1928}, {"candidate_id": "ODC-268B23", "res_at": 1789949771, "skeleton": "PEEGRCTWZSCPCN", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 50.533, "axes": {"activity": 17.56, "binding": 13.88, "selectivity": 8.79, "admet": 2.73, "novelty": 4.63, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.653, "fraction": 0.585}, "binding": {"pIC50": 7.26, "LE": 0.276, "potency_term": 0.754, "efficiency_cap": 0.921}, "selectivity": {"fold": 14.7, "selectivity_term": 0.583, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 0.16, "ld50-zhu": 0.654, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.653490325862498, "aff_pf": -1.2611392736434937, "aff_hs": -0.09526508922378223, "repeats_pf": {"runs": 3, "values": [-1.3231, -1.3409, -1.1194], "mean": -1.2611, "spread": 0.2215}, "repeats_hs": {"runs": 3, "values": [-0.0154, -0.0968, -0.1736], "mean": -0.0953, "spread": 0.1581}, "at": 1789949771}, "tier": 1, "alerts": [], "total_sd": 1.556, "total_ci95": [47.202, 52.746], "relegate_reason": [], "submitted_at": 1789837492, "scored_at": 1789949771, "rank": 1929}, {"candidate_id": "ODC-ACF33B", "res_at": 1787019969, "skeleton": "XYLKRSYZVJJKTD", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.517, "axes": {"activity": 14.97, "binding": 15.42, "selectivity": 7.18, "admet": 6.01, "novelty": 3.43, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.498, "fraction": 0.499}, "binding": {"pIC50": 7.31, "LE": 0.436, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.466, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 0.391, "ld50-zhu": 0.52, "herg": 0.502, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.498030737788169, "aff_pf": -1.3125654061635335, "aff_hs": -0.38067753116289776, "repeats_pf": {"runs": 3, "values": [-1.2334, -1.3136, -1.3907], "mean": -1.3126, "spread": 0.1574}, "repeats_hs": {"runs": 3, "values": [-0.3375, -0.4402, -0.3644], "mean": -0.3807, "spread": 0.1028}, "at": 1787019969}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019435, "scored_at": 1787019969, "alerts": [], "rank": 1930}, {"candidate_id": "ODC-8A7975", "res_at": 1786936428, "skeleton": "TXQWPYYWMRPIBJ", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.511, "axes": {"activity": 16.57, "binding": 15.14, "selectivity": 8.79, "admet": 4.85, "novelty": 1.89, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 7.27, "LE": 0.383, "potency_term": 0.757, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.58, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.337, "herg": 0.137, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.75, "novelty": 0.25}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.5940410369384015, "aff_pf": -1.2707547744115193, "aff_hs": -0.10981083412965138, "repeats_pf": {"runs": 3, "values": [-1.2506, -1.2247, -1.3369], "mean": -1.2708, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [-0.1256, -0.0975, -0.1064], "mean": -0.1098, "spread": 0.0281}, "at": 1786936428}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926381, "scored_at": 1786936428, "alerts": [], "rank": 1931}, {"candidate_id": "ODC-37C102", "res_at": 1787581652, "skeleton": "UHBMXNQDFVITSD", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4R1", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#CCSc1··········)n2n1", "total": 50.503, "axes": {"activity": 12.33, "binding": 15.86, "selectivity": 9.33, "admet": 4.29, "novelty": 5.54, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 7.38, "LE": 0.389, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.589, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.819, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.339969538683343, "aff_pf": -1.378458579381307, "aff_hs": -0.20138820509115854, "repeats_pf": {"runs": 3, "values": [-1.3749, -1.3624, -1.3981], "mean": -1.3785, "spread": 0.0358}, "repeats_hs": {"runs": 3, "values": [-0.3714, -0.0875, -0.1453], "mean": -0.2014, "spread": 0.2839}, "at": 1787581652}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578621, "scored_at": 1787581652, "alerts": [], "rank": 1932}, {"candidate_id": "ODC-CE9E24", "res_at": 1787154430, "skeleton": "SDVAUVYORQSNMX", "hf_user": "Ku-ku", "display_name": "M24_SEt_Br3Me", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 50.491, "axes": {"activity": 14.86, "binding": 13.93, "selectivity": 10.92, "admet": 4.08, "novelty": 3.29, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.491, "fraction": 0.495}, "binding": {"pIC50": 7.09, "LE": 0.442, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.9, "selectivity_term": 0.784, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.628, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.532, "ld50-zhu": 0.365, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.491411042376347, "aff_pf": -1.0901676416397095, "aff_hs": 0.4771016240119934, "repeats_pf": {"runs": 3, "values": [-1.0941, -1.0752, -1.1012], "mean": -1.0902, "spread": 0.026}, "repeats_hs": {"runs": 3, "values": [0.5568, 0.4932, 0.3813], "mean": 0.4771, "spread": 0.1755}, "at": 1787154430}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148046, "scored_at": 1787154430, "alerts": [], "rank": 1933}, {"candidate_id": "ODC-A2BF77", "res_at": 1789373412, "skeleton": "QOQURGTXSHBJFB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.491, "axes": {"activity": 13.98, "binding": 13.94, "selectivity": 10.9, "admet": 5.01, "novelty": 3.82, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 7.09, "LE": 0.405, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.6, "selectivity_term": 0.782, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.603, "herg": 0.398, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.438838380570734, "aff_pf": -1.0917212168375652, "aff_hs": 0.47179581721623737, "repeats_pf": {"runs": 3, "values": [-1.0475, -1.1053, -1.1223], "mean": -1.0917, "spread": 0.0748}, "repeats_hs": {"runs": 3, "values": [0.387, 0.4772, 0.5512], "mean": 0.4718, "spread": 0.1642}, "at": 1789373412}, "tier": 1, "alerts": [], "total_sd": 0.554, "total_ci95": [49.417, 51.487], "relegate_reason": [], "submitted_at": 1789363327, "scored_at": 1789373412, "rank": 1934}, {"candidate_id": "ODC-9AA5DB", "res_at": 1786923873, "skeleton": "GTSOLQREMBCYCJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 50.483, "axes": {"activity": 19.26, "binding": 12.5, "selectivity": 7.48, "admet": 4.33, "novelty": 4.19, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.756, "fraction": 0.642}, "binding": {"pIC50": 6.87, "LE": 0.377, "potency_term": 0.625, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.414, "herg": 0.32, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.755804009278757, "aff_pf": -0.8749803503354391, "aff_hs": 0.32187381386756897, "repeats_pf": {"runs": 3, "values": [-0.9403, -0.7132, -0.9714], "mean": -0.875, "spread": 0.2582}, "repeats_hs": {"runs": 3, "values": [0.2961, 0.2949, 0.3746], "mean": 0.3219, "spread": 0.0796}, "at": 1786923873}, "tier": 1, "relegate_reason": [], "submitted_at": 1786922403, "scored_at": 1786923873, "alerts": [], "rank": 1935}, {"candidate_id": "ODC-A69AE8", "res_at": 1786801021, "skeleton": "UEYKZHLATVIDDB", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "GPT-5.6 Sol, Claude-Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 50.481, "axes": {"activity": 14.62, "binding": 14.32, "selectivity": 10.02, "admet": 5.12, "novelty": 3.24, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 7.15, "LE": 0.426, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.465, "herg": 0.394, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.477230332559324, "aff_pf": -1.1479849020640056, "aff_hs": 0.2507762610912323, "repeats_pf": {"runs": 3, "values": [-1.1402, -1.1177, -1.186], "mean": -1.148, "spread": 0.0683}, "repeats_hs": {"runs": 3, "values": [0.2484, 0.2195, 0.2844], "mean": 0.2508, "spread": 0.0649}, "at": 1786801021}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785666, "scored_at": 1786801021, "alerts": [], "rank": 1936}, {"candidate_id": "ODC-49CC6C", "res_at": 1786910418, "skeleton": "YXVBCNYSSOJQPX", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cc(··········nc2n1", "total": 50.476, "axes": {"activity": 22.34, "binding": 11.91, "selectivity": 2.37, "admet": 5.75, "novelty": 4.9, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.94, "fraction": 0.745}, "binding": {"pIC50": 6.79, "LE": 0.332, "potency_term": 0.596, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.527, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.993, "ld50-zhu": 0.468, "herg": 0.083, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.940458312239476, "aff_pf": -0.7867987155914307, "aff_hs": -0.38912426431973773, "repeats_pf": {"runs": 3, "values": [-0.8551, -0.6713, -0.834], "mean": -0.7868, "spread": 0.1839}, "repeats_hs": {"runs": 3, "values": [-0.5298, -0.3368, -0.3008], "mean": -0.3891, "spread": 0.229}, "at": 1786910418}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900933, "scored_at": 1786910418, "alerts": [], "rank": 1937}, {"candidate_id": "ODC-9C7B63", "res_at": 1789008815, "skeleton": "BKNNEWCGLJXRFO", "hf_user": "Bio-JS", "display_name": "0910c-S1-06", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 50.476, "axes": {"activity": 18.29, "binding": 13.81, "selectivity": 7.87, "admet": 3.79, "novelty": 3.68, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.698, "fraction": 0.61}, "binding": {"pIC50": 7.07, "LE": 0.373, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.082, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.815, "ld50-zhu": 0.583, "herg": 0.167, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.697647106046336, "aff_pf": -1.0709465742111206, "aff_hs": 0.06915417437752087, "repeats_pf": {"runs": 3, "values": [-1.0687, -1.0159, -1.1283], "mean": -1.0709, "spread": 0.1124}, "repeats_hs": {"runs": 3, "values": [0.0609, 0.0501, 0.0964], "mean": 0.0692, "spread": 0.0463}, "at": 1789008815}, "tier": 1, "alerts": [], "total_sd": 0.638, "total_ci95": [49.354, 51.883], "relegate_reason": [], "submitted_at": 1789006215, "scored_at": 1789008815, "rank": 1938}, {"candidate_id": "ODC-C859AC", "res_at": 1788511503, "skeleton": "PXVHLAHPSWVODQ", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Cl/p-OCF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.468, "axes": {"activity": 15.5, "binding": 15.8, "selectivity": 6.15, "admet": 5.9, "novelty": 3.36, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.53, "fraction": 0.517}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.746, "ld50-zhu": 0.54, "herg": 0.281, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.530007208686157, "aff_pf": -1.3693149487177532, "aff_hs": -0.5910761555035909, "repeats_pf": {"runs": 3, "values": [-1.3913, -1.3597, -1.357], "mean": -1.3693, "spread": 0.0344}, "repeats_hs": {"runs": 3, "values": [-0.5275, -0.723, -0.5228], "mean": -0.5911, "spread": 0.2003}, "at": 1788511503}, "tier": 1, "alerts": [], "total_sd": 0.487, "total_ci95": [49.427, 51.27], "relegate_reason": [], "submitted_at": 1788487227, "scored_at": 1788511503, "rank": 1939}, {"candidate_id": "ODC-9DC5E7", "res_at": 1787413485, "skeleton": "QYUMLOVMEFBDCK", "hf_user": "takutoyo", "display_name": "PfD14-11", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 50.466, "axes": {"activity": 14.74, "binding": 14.05, "selectivity": 7.38, "admet": 7.49, "novelty": 4.4, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.484, "fraction": 0.491}, "binding": {"pIC50": 7.11, "LE": 0.423, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.525, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.711, "per_endpoint": {"solubility-aqsoldb": 0.738, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.862, "ld50-zhu": 0.585, "herg": 1.0, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.48432700265141, "aff_pf": -1.1071046590805054, "aff_hs": -0.05677896738052368, "repeats_pf": {"runs": 3, "values": [-1.1823, -1.0654, -1.0737], "mean": -1.1071, "spread": 0.1169}, "repeats_hs": {"runs": 3, "values": [-0.1279, -0.0098, -0.0326], "mean": -0.0568, "spread": 0.1181}, "at": 1787413485}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408073, "scored_at": 1787413485, "rank": 1940}, {"candidate_id": "ODC-E6215D", "res_at": 1786955500, "skeleton": "ABRVBWVMRWJTSM", "hf_user": "amadeus0710", "display_name": "frederic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 50.464, "axes": {"activity": 14.96, "binding": 15.36, "selectivity": 7.46, "admet": 5.26, "novelty": 4.5, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.497, "fraction": 0.499}, "binding": {"pIC50": 7.3, "LE": 0.357, "potency_term": 0.768, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.768}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.664, "herg": 0.163, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "2", "pAct_q10": 5.497340291183411, "aff_pf": -1.3047147591908772, "aff_hs": -0.3339234987894694, "repeats_pf": {"runs": 3, "values": [-1.3806, -1.2868, -1.2468], "mean": -1.3047, "spread": 0.1338}, "repeats_hs": {"runs": 3, "values": [-0.3824, -0.2679, -0.3514], "mean": -0.3339, "spread": 0.1144}, "at": 1786955500}, "tier": 1, "relegate_reason": [], "submitted_at": 1786955288, "scored_at": 1786955500, "alerts": [], "rank": 1941}, {"candidate_id": "ODC-01E677", "res_at": 1789381018, "skeleton": "GQSBNBUYQYNGRE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 50.437, "axes": {"activity": 12.55, "binding": 16.96, "selectivity": 4.85, "admet": 6.85, "novelty": 5.69, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 7.54, "LE": 0.431, "potency_term": 0.848, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.848}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.748, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.471, "herg": 0.318, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.353085006047371, "aff_pf": -1.5437449216842651, "aff_hs": -0.9714557727177938, "repeats_pf": {"runs": 3, "values": [-1.5585, -1.5331, -1.5396], "mean": -1.5437, "spread": 0.0254}, "repeats_hs": {"runs": 3, "values": [-0.9264, -1.0122, -0.9757], "mean": -0.9715, "spread": 0.0858}, "at": 1789381018}, "tier": 1, "alerts": [], "total_sd": 0.212, "total_ci95": [50.091, 50.878], "relegate_reason": [], "submitted_at": 1789365751, "scored_at": 1789381018, "rank": 1942}, {"candidate_id": "ODC-B0ACBB", "res_at": 1788542740, "skeleton": "UOSDBWJACXJMFB", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 50.432, "axes": {"activity": 13.19, "binding": 15.61, "selectivity": 10.08, "admet": 3.8, "novelty": 4.38, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.44}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.78, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.6, "selectivity_term": 0.646, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.856, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.575, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.391234594029992, "aff_pf": -1.341279109319051, "aff_hs": -0.049307833115259804, "repeats_pf": {"runs": 3, "values": [-1.2031, -1.5662, -1.2545], "mean": -1.3413, "spread": 0.3632}, "repeats_hs": {"runs": 3, "values": [0.1015, -0.0726, -0.1768], "mean": -0.0493, "spread": 0.2783}, "at": 1788542740}, "tier": 1, "alerts": [], "total_sd": 2.227, "total_ci95": [46.924, 56.231], "relegate_reason": [], "submitted_at": 1788489691, "scored_at": 1788542740, "rank": 1943}, {"candidate_id": "ODC-10A9FB", "res_at": 1787668089, "skeleton": "QHADDULOWSXSER", "hf_user": "Moonweave", "display_name": "M5AI-AZA-CAND-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 50.397, "axes": {"activity": 17.65, "binding": 14.36, "selectivity": 7.9, "admet": 3.14, "novelty": 4.01, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.659, "fraction": 0.588}, "binding": {"pIC50": 7.15, "LE": 0.35, "potency_term": 0.718, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.55, "target_engagement": 0.718}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.314, "herg": 0.05, "dili": 0.279}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.659192762362115, "aff_pf": -1.1537464459737141, "aff_hs": -0.05401345590750376, "repeats_pf": {"runs": 3, "values": [-1.152, -1.1292, -1.1801], "mean": -1.1537, "spread": 0.0509}, "repeats_hs": {"runs": 3, "values": [-0.0492, -0.0415, -0.0714], "mean": -0.054, "spread": 0.0299}, "at": 1787668089}, "tier": 1, "relegate_reason": [], "submitted_at": 1787667350, "scored_at": 1787668089, "alerts": [], "rank": 1944}, {"candidate_id": "ODC-6BCE17", "res_at": 1788905384, "skeleton": "CZJBVTAACRZRHL", "hf_user": "Bio-JS", "display_name": "0909-S1-24", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 50.397, "axes": {"activity": 14.86, "binding": 13.78, "selectivity": 9.87, "admet": 5.46, "novelty": 3.56, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.491, "fraction": 0.495}, "binding": {"pIC50": 7.07, "LE": 0.372, "potency_term": 0.689, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.0, "selectivity_term": 0.716, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.71, "cyp3a4-substrate-carbonmangels": 0.203, "ld50-zhu": 0.61, "herg": 0.658, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.4913180865915345, "aff_pf": -1.067600687344869, "aff_hs": 0.36441756288210553, "repeats_pf": {"runs": 3, "values": [-1.0906, -1.0431, -1.0691], "mean": -1.0676, "spread": 0.0474}, "repeats_hs": {"runs": 3, "values": [0.3299, 0.3834, 0.38], "mean": 0.3644, "spread": 0.0535}, "at": 1788905384}, "tier": 1, "alerts": [], "total_sd": 0.271, "total_ci95": [49.817, 50.895], "relegate_reason": [], "submitted_at": 1788902774, "scored_at": 1788905384, "rank": 1945}, {"candidate_id": "ODC-F07BE0", "res_at": 1786850874, "skeleton": "ZGMMXNJOFPRBTE", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.394, "axes": {"activity": 14.99, "binding": 14.02, "selectivity": 8.58, "admet": 5.87, "novelty": 4.02, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.5}, "binding": {"pIC50": 7.1, "LE": 0.405, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.611, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.739, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.618, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.4992789586774675, "aff_pf": -1.103454828262329, "aff_hs": 0.11953744292259216, "repeats_pf": {"runs": 3, "values": [-1.1434, -1.074, -1.093], "mean": -1.1035, "spread": 0.0694}, "repeats_hs": {"runs": 3, "values": [0.1559, 0.1094, 0.0933], "mean": 0.1195, "spread": 0.0626}, "at": 1786850874}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847191, "scored_at": 1786850874, "alerts": [], "rank": 1946}, {"candidate_id": "ODC-AA7B48", "res_at": 1786950177, "skeleton": "YGBCNALZJLSTOO", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.357, "axes": {"activity": 13.69, "binding": 14.83, "selectivity": 9.91, "admet": 5.3, "novelty": 3.57, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 7.23, "LE": 0.471, "potency_term": 0.742, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.7, "selectivity_term": 0.668, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.382, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.477, "herg": 0.2, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.421248617806709, "aff_pf": -1.2250333627065022, "aff_hs": 0.11070200800895691, "repeats_pf": {"runs": 3, "values": [-1.164, -1.2836, -1.2275], "mean": -1.225, "spread": 0.1196}, "repeats_hs": {"runs": 3, "values": [0.0377, 0.1483, 0.1461], "mean": 0.1107, "spread": 0.1106}, "at": 1786950177}, "tier": 1, "relegate_reason": [], "submitted_at": 1786938073, "scored_at": 1786950177, "alerts": [], "rank": 1947}, {"candidate_id": "ODC-F51757", "res_at": 1789200667, "skeleton": "YXKQYCKTZBZNHY", "hf_user": "Bio-JS", "display_name": "0912-S1-x5_CC", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 50.346, "axes": {"activity": 14.21, "binding": 14.98, "selectivity": 9.52, "admet": 4.57, "novelty": 3.68, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.453, "fraction": 0.474}, "binding": {"pIC50": 7.25, "LE": 0.414, "potency_term": 0.749, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.7, "selectivity_term": 0.636, "target_engagement": 0.749}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.468, "herg": 0.283, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.452718449228455, "aff_pf": -1.2477364540100098, "aff_hs": 0.023342753450075786, "repeats_pf": {"runs": 3, "values": [-1.2847, -1.263, -1.1956], "mean": -1.2477, "spread": 0.0891}, "repeats_hs": {"runs": 3, "values": [-0.037, -0.0095, 0.1165], "mean": 0.0233, "spread": 0.1535}, "at": 1789200667}, "tier": 1, "alerts": [], "total_sd": 0.607, "total_ci95": [49.06, 51.369], "relegate_reason": [], "submitted_at": 1789177499, "scored_at": 1789200667, "rank": 1948}, {"candidate_id": "ODC-950406", "res_at": 1786928144, "skeleton": "QFHJAKMUJRVTBM", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-009 diagnostic 80-target", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 50.34, "axes": {"activity": 14.25, "binding": 14.66, "selectivity": 9.55, "admet": 5.45, "novelty": 3.12, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.2, "LE": 0.379, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.38, "cyp3a4-substrate-carbonmangels": 0.681, "ld50-zhu": 0.56, "herg": 0.598, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.455027274020163, "aff_pf": -1.1996115843454997, "aff_hs": 0.10274978478749593, "repeats_pf": {"runs": 3, "values": [-1.2525, -1.1843, -1.1621], "mean": -1.1996, "spread": 0.0904}, "repeats_hs": {"runs": 3, "values": [0.068, 0.1361, 0.1042], "mean": 0.1027, "spread": 0.0681}, "at": 1786928144}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924478, "scored_at": 1786928144, "alerts": [], "rank": 1949}, {"candidate_id": "ODC-0EFDED", "res_at": 1789554132, "skeleton": "BGUPWSALXKQGLR", "hf_user": "Bio-JS", "display_name": "0916-S1-div23", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 50.339, "axes": {"activity": 21.72, "binding": 10.68, "selectivity": 5.68, "admet": 4.66, "novelty": 4.51, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.903, "fraction": 0.724}, "binding": {"pIC50": 6.6, "LE": 0.335, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.532, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.358, "ld50-zhu": 0.577, "herg": 0.163, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.903218939825386, "aff_pf": -0.6021586457888285, "aff_hs": 0.4614844222863515, "repeats_pf": {"runs": 3, "values": [-0.579, -0.6032, -0.6243], "mean": -0.6022, "spread": 0.0453}, "repeats_hs": {"runs": 3, "values": [0.4662, 0.5919, 0.3263], "mean": 0.4615, "spread": 0.2656}, "at": 1789554132}, "tier": 1, "alerts": [], "total_sd": 0.372, "total_ci95": [49.723, 51.148], "relegate_reason": [], "submitted_at": 1789526905, "scored_at": 1789554132, "rank": 1950}, {"candidate_id": "ODC-6844C9", "res_at": 1789099815, "skeleton": "ZIABJIZSASGPAW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.29, "axes": {"activity": 12.19, "binding": 15.83, "selectivity": 9.9, "admet": 5.26, "novelty": 3.75, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.406}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.625, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.482, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.573, "herg": 0.256, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.331647490115337, "aff_pf": -1.37461256980896, "aff_hs": -0.12423532518247764, "repeats_pf": {"runs": 3, "values": [-1.3175, -1.2933, -1.513], "mean": -1.3746, "spread": 0.2196}, "repeats_hs": {"runs": 3, "values": [-0.1743, -0.0088, -0.1897], "mean": -0.1242, "spread": 0.1809}, "at": 1789099815}, "tier": 1, "alerts": [], "total_sd": 1.352, "total_ci95": [48.129, 53.206], "relegate_reason": [], "submitted_at": 1789092909, "scored_at": 1789099815, "rank": 1951}, {"candidate_id": "ODC-09B269", "res_at": 1787043034, "skeleton": "ZVKIWMMYNAJKAA", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 50.272, "axes": {"activity": 14.17, "binding": 15.35, "selectivity": 8.75, "admet": 4.67, "novelty": 4.09, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 7.3, "LE": 0.417, "potency_term": 0.767, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.767}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.722, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.589, "herg": 0.16, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.450319725793567, "aff_pf": -1.3019812901814778, "aff_hs": -0.16133874654769897, "repeats_pf": {"runs": 3, "values": [-1.2734, -1.3184, -1.3141], "mean": -1.302, "spread": 0.045}, "repeats_hs": {"runs": 3, "values": [-0.0572, -0.2113, -0.2155], "mean": -0.1613, "spread": 0.1583}, "at": 1787043034}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038331, "scored_at": 1787043034, "alerts": [], "rank": 1952}, {"candidate_id": "ODC-AFA279", "res_at": 1786981018, "skeleton": "WHEHOPXECOBUCV", "hf_user": "ipsych", "display_name": "TPV-vinyl5-SMe-4CF3-3I", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 50.272, "axes": {"activity": 14.25, "binding": 16.7, "selectivity": 7.04, "admet": 4.52, "novelty": 4.52, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.421, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.649, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.71, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.61, "herg": 0.191, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "2", "pAct_q10": 5.455196792062317, "aff_pf": -1.504427194595337, "aff_hs": -0.6615315477053324, "repeats_pf": {"runs": 3, "values": [-1.4745, -1.4567, -1.5821], "mean": -1.5044, "spread": 0.1254}, "repeats_hs": {"runs": 3, "values": [-0.6234, -0.68, -0.6812], "mean": -0.6615, "spread": 0.0579}, "at": 1786981018}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977379, "scored_at": 1786981018, "alerts": [], "rank": 1953}, {"candidate_id": "ODC-3854AE", "res_at": 1787621299, "skeleton": "TZNXKKFOBUMVPS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 50.265, "axes": {"activity": 14.49, "binding": 15.37, "selectivity": 10.01, "admet": 5.93, "novelty": 1.73, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.469, "fraction": 0.483}, "binding": {"pIC50": 7.31, "LE": 0.371, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.1, "selectivity_term": 0.651, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.998, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.822, "ld50-zhu": 0.7, "herg": 0.23, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.776, "novelty": 0.224}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.469206406346435, "aff_pf": -1.3059489727020264, "aff_hs": -0.0038183778524398804, "repeats_pf": {"runs": 3, "values": [-1.3157, -1.3518, -1.2504], "mean": -1.3059, "spread": 0.1014}, "repeats_hs": {"runs": 3, "values": [-0.0418, -0.0427, 0.073], "mean": -0.0038, "spread": 0.1157}, "at": 1787621299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620817, "scored_at": 1787621299, "alerts": [], "rank": 1954}, {"candidate_id": "ODC-B7E7F2", "res_at": 1786883113, "skeleton": "DGMRINUDFXRXCG", "hf_user": "choa712", "display_name": "choa712", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.25, "axes": {"activity": 20.82, "binding": 11.09, "selectivity": 6.3, "admet": 5.46, "novelty": 3.47, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.849, "fraction": 0.694}, "binding": {"pIC50": 6.66, "LE": 0.397, "potency_term": 0.555, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.459, "herg": 0.68, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.849399686511581, "aff_pf": -0.6642128229141235, "aff_hs": 0.4719489812850952, "repeats_pf": {"runs": 3, "values": [-0.6626, -0.6684, -0.6616], "mean": -0.6642, "spread": 0.0068}, "repeats_hs": {"runs": 3, "values": [0.5327, 0.577, 0.3062], "mean": 0.4719, "spread": 0.2708}, "at": 1786883113}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874075, "scored_at": 1786883113, "alerts": [], "rank": 1955}, {"candidate_id": "ODC-90365C", "res_at": 1787871732, "skeleton": "BGBBNHRKJHJACY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 50.249, "axes": {"activity": 12.53, "binding": 16.5, "selectivity": 8.15, "admet": 6.08, "novelty": 3.36, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 7.48, "LE": 0.394, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.471, "cyp3a4-substrate-carbonmangels": 0.237, "ld50-zhu": 0.497, "herg": 0.496, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.593, "novelty": 0.407}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.351693850916067, "aff_pf": -1.475293238957723, "aff_hs": -0.4872867564360301, "repeats_pf": {"runs": 3, "values": [-1.4791, -1.4927, -1.4541], "mean": -1.4753, "spread": 0.0385}, "repeats_hs": {"runs": 3, "values": [-0.4756, -0.4641, -0.5221], "mean": -0.4873, "spread": 0.058}, "at": 1787856081}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800749, "scored_at": 1787856081, "alerts": [], "rank": 1956}, {"candidate_id": "ODC-E9F194", "res_at": 1786926087, "skeleton": "WTQZHSOBXBPIFN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 50.239, "axes": {"activity": 14.41, "binding": 13.96, "selectivity": 10.93, "admet": 4.99, "novelty": 3.15, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.48}, "binding": {"pIC50": 7.09, "LE": 0.405, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.8, "selectivity_term": 0.783, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.439, "herg": 0.815, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.464731752652516, "aff_pf": -1.0944771369298298, "aff_hs": 0.4708928167819977, "repeats_pf": {"runs": 3, "values": [-1.0094, -1.0597, -1.2143], "mean": -1.0945, "spread": 0.2049}, "repeats_hs": {"runs": 3, "values": [0.3362, 0.5939, 0.4825], "mean": 0.4709, "spread": 0.2577}, "at": 1786926087}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923248, "scored_at": 1786926087, "alerts": [], "rank": 1957}, {"candidate_id": "ODC-2FF5C7", "res_at": 1787418139, "skeleton": "UDESFUNTIJFKBG", "hf_user": "1Dmeds", "display_name": "ODC26-W6", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 50.233, "axes": {"activity": 26.5, "binding": 6.08, "selectivity": 5.11, "admet": 2.94, "novelty": 6.15, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.19, "fraction": 0.883}, "binding": {"pIC50": 6.19, "LE": 0.229, "potency_term": 0.398, "efficiency_cap": 0.764}, "selectivity": {"fold": 19.2, "selectivity_term": 0.642, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.222, "per_endpoint": {"solubility-aqsoldb": 0.051, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.772, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.190091339712391, "aff_pf": -0.19340196748574576, "aff_hs": 1.0902738173802693, "repeats_pf": {"runs": 3, "values": [-0.2681, -0.158, -0.1541], "mean": -0.1934, "spread": 0.1141}, "repeats_hs": {"runs": 3, "values": [1.0738, 1.0354, 1.1616], "mean": 1.0903, "spread": 0.1262}, "at": 1787418139}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412282, "scored_at": 1787418139, "alerts": [], "rank": 1958}, {"candidate_id": "ODC-FB6FCB", "res_at": 1787655374, "skeleton": "QYWLGWQPGSSCQO", "hf_user": "Moonweave", "display_name": "M5AI-ALK-CAND-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCOc··········C2)s1", "total": 50.233, "axes": {"activity": 19.86, "binding": 15.03, "selectivity": 5.26, "admet": 3.11, "novelty": 3.23, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 5.792, "fraction": 0.662}, "binding": {"pIC50": 7.25, "LE": 0.343, "potency_term": 0.751, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 0.887, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.355, "herg": 0.05, "dili": 0.912}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 5.79159368954955, "aff_pf": -1.2540624936421711, "aff_hs": -0.5533555547396342, "repeats_pf": {"runs": 3, "values": [-1.301, -1.1952, -1.2659], "mean": -1.2541, "spread": 0.1058}, "repeats_hs": {"runs": 3, "values": [-0.5891, -0.5392, -0.5317], "mean": -0.5534, "spread": 0.0574}, "at": 1787655374}, "tier": 1, "relegate_reason": [], "submitted_at": 1787653762, "scored_at": 1787655374, "alerts": [], "rank": 1959}, {"candidate_id": "ODC-274A01", "res_at": 1786898444, "skeleton": "ITKFLCAXBCGICM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.22, "axes": {"activity": 13.86, "binding": 13.86, "selectivity": 11.69, "admet": 4.8, "novelty": 3.26, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.432, "fraction": 0.462}, "binding": {"pIC50": 7.08, "LE": 0.388, "potency_term": 0.693, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.7, "selectivity_term": 0.844, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.913, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.46, "herg": 0.05, "dili": 0.448}}, "novelty": {"max_tanimoto": 0.529, "novelty": 0.471}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.431862438503387, "aff_pf": -1.0792566537857056, "aff_hs": 0.6081085701783498, "repeats_pf": {"runs": 3, "values": [-1.0713, -1.0594, -1.1071], "mean": -1.0793, "spread": 0.0476}, "repeats_hs": {"runs": 3, "values": [0.4232, 0.7307, 0.6704], "mean": 0.6081, "spread": 0.3075}, "at": 1786898444}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884977, "scored_at": 1786898444, "alerts": [], "rank": 1960}, {"candidate_id": "ODC-0E1756", "res_at": 1788440979, "skeleton": "YZIWZMXFFXSUAW", "hf_user": "Bio-JS", "display_name": "0903-S1-28 oCN_mF/oxetane/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.218, "axes": {"activity": 20.38, "binding": 13.22, "selectivity": 7.06, "admet": 2.69, "novelty": 5.01, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.823, "fraction": 0.679}, "binding": {"pIC50": 7.32, "LE": 0.257, "potency_term": 0.772, "efficiency_cap": 0.857}, "selectivity": {"fold": 8.2, "selectivity_term": 0.457, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.414, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.37, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.114}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 4.09}}, "run": {"gpu": "0", "pAct_q10": 5.82284971624088, "aff_pf": -1.3153311808904011, "aff_hs": -0.4005932609240214, "repeats_pf": {"runs": 3, "values": [-1.2524, -1.3802, -1.3133], "mean": -1.3153, "spread": 0.1278}, "repeats_hs": {"runs": 3, "values": [-0.404, -0.4525, -0.3453], "mean": -0.4006, "spread": 0.1072}, "at": 1788440979}, "tier": 1, "alerts": [], "total_sd": 0.585, "total_ci95": [49.298, 51.51], "relegate_reason": [], "submitted_at": 1788362974, "scored_at": 1788440979, "rank": 1961}, {"candidate_id": "ODC-9890B5", "res_at": 1786904140, "skeleton": "RIEQDLFLKIEIRG", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 50.208, "axes": {"activity": 22.81, "binding": 11.33, "selectivity": 2.61, "admet": 5.36, "novelty": 4.83, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.968, "fraction": 0.76}, "binding": {"pIC50": 6.7, "LE": 0.328, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.928, "ld50-zhu": 0.534, "herg": 0.105, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.968392931989615, "aff_pf": -0.6992112596829733, "aff_hs": -0.23921076953411102, "repeats_pf": {"runs": 3, "values": [-0.7529, -0.6207, -0.724], "mean": -0.6992, "spread": 0.1322}, "repeats_hs": {"runs": 3, "values": [0.0642, -0.332, -0.4498], "mean": -0.2392, "spread": 0.5139}, "at": 1786904140}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900932, "scored_at": 1786904140, "alerts": [], "rank": 1962}, {"candidate_id": "ODC-DDD5D5", "res_at": 1788534842, "skeleton": "GWROMOZUGZRPBK", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 50.206, "axes": {"activity": 18.41, "binding": 14.36, "selectivity": 6.38, "admet": 3.94, "novelty": 4.25, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.705, "fraction": 0.614}, "binding": {"pIC50": 7.15, "LE": 0.377, "potency_term": 0.718, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.718}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.582, "ld50-zhu": 0.488, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.704752267689537, "aff_pf": -1.154531200726827, "aff_hs": -0.26671406129995984, "repeats_pf": {"runs": 3, "values": [-1.1943, -1.2313, -1.0379], "mean": -1.1545, "spread": 0.1934}, "repeats_hs": {"runs": 3, "values": [-0.2396, -0.2009, -0.3596], "mean": -0.2667, "spread": 0.1588}, "at": 1788534842}, "tier": 1, "alerts": [], "total_sd": 1.143, "total_ci95": [47.964, 52.025], "relegate_reason": [], "submitted_at": 1788489490, "scored_at": 1788534842, "rank": 1963}, {"candidate_id": "ODC-27FBA9", "res_at": 1789269118, "skeleton": "JSPALQRBZOSDRH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 50.206, "axes": {"activity": 13.92, "binding": 13.9, "selectivity": 11.56, "admet": 4.28, "novelty": 3.23, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.435, "fraction": 0.464}, "binding": {"pIC50": 7.09, "LE": 0.404, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.0, "selectivity_term": 0.831, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.438, "herg": 0.171, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.434933292604123, "aff_pf": -1.0852946440378826, "aff_hs": 0.5775556763013204, "repeats_pf": {"runs": 3, "values": [-1.1122, -1.0966, -1.0471], "mean": -1.0853, "spread": 0.0651}, "repeats_hs": {"runs": 3, "values": [0.4811, 0.594, 0.6575], "mean": 0.5776, "spread": 0.1764}, "at": 1789269118}, "tier": 1, "alerts": [], "total_sd": 0.443, "total_ci95": [49.42, 51.02], "relegate_reason": [], "submitted_at": 1789263750, "scored_at": 1789269118, "rank": 1964}, {"candidate_id": "ODC-42DA29", "res_at": 1787171999, "skeleton": "MKTSRHUJIFJBJR", "hf_user": "1Dmeds", "display_name": "ODC26-FN-02", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.186, "axes": {"activity": 18.46, "binding": 15.59, "selectivity": 4.34, "admet": 4.14, "novelty": 4.21, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.707, "fraction": 0.615}, "binding": {"pIC50": 7.34, "LE": 0.372, "potency_term": 0.78, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.83, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.707309569776375, "aff_pf": -1.3391482830047607, "aff_hs": -0.7829114099343618, "repeats_pf": {"runs": 3, "values": [-1.3114, -1.4022, -1.3038], "mean": -1.3391, "spread": 0.0984}, "repeats_hs": {"runs": 3, "values": [-0.9954, -0.8582, -0.4952], "mean": -0.7829, "spread": 0.5002}, "at": 1787171999}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171616, "scored_at": 1787171999, "alerts": [], "rank": 1965}, {"candidate_id": "ODC-3D51A8", "res_at": 1787442723, "skeleton": "VZRSTXGEEJEHHU", "hf_user": "1Dmeds", "display_name": "ODC26-C1", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········)CCC1", "total": 50.179, "axes": {"activity": 26.22, "binding": 8.55, "selectivity": 2.86, "admet": 3.1, "novelty": 5.86, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 6.173, "fraction": 0.874}, "binding": {"pIC50": 6.55, "LE": 0.249, "potency_term": 0.515, "efficiency_cap": 0.83}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.593, "herg": 0.28, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.173413049119294, "aff_pf": -0.5452117224534353, "aff_hs": 0.009853551785151163, "repeats_pf": {"runs": 3, "values": [-0.5526, -0.601, -0.4821], "mean": -0.5452, "spread": 0.1189}, "repeats_hs": {"runs": 3, "values": [0.0924, 0.1932, -0.256], "mean": 0.0099, "spread": 0.4491}, "at": 1787442723}, "tier": 1, "relegate_reason": [], "submitted_at": 1787442330, "scored_at": 1787442723, "alerts": [], "rank": 1966}, {"candidate_id": "ODC-F208FC", "res_at": 1786851457, "skeleton": "CHLZAMUJOWPTPF", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.166, "axes": {"activity": 14.88, "binding": 15.49, "selectivity": 7.67, "admet": 4.78, "novelty": 3.94, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.493, "fraction": 0.496}, "binding": {"pIC50": 7.32, "LE": 0.418, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.495, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.957, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.576, "herg": 0.139, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.492706217784913, "aff_pf": -1.3242250680923462, "aff_hs": -0.3338848104079564, "repeats_pf": {"runs": 3, "values": [-1.2962, -1.3514, -1.3251], "mean": -1.3242, "spread": 0.0552}, "repeats_hs": {"runs": 3, "values": [-0.4174, -0.1763, -0.408], "mean": -0.3339, "spread": 0.2411}, "at": 1786851457}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847250, "scored_at": 1786851457, "alerts": [], "rank": 1967}, {"candidate_id": "ODC-88C219", "res_at": 1786965288, "skeleton": "BIESVYXGWDVWCK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 50.155, "axes": {"activity": 18.81, "binding": 15.28, "selectivity": 5.22, "admet": 3.68, "novelty": 3.82, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.729, "fraction": 0.627}, "binding": {"pIC50": 7.29, "LE": 0.4, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.723, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.336, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.728676448645019, "aff_pf": -1.2917179663976033, "aff_hs": -0.6079949140548706, "repeats_pf": {"runs": 3, "values": [-1.234, -1.319, -1.3222], "mean": -1.2917, "spread": 0.0882}, "repeats_hs": {"runs": 3, "values": [-0.479, -0.6616, -0.6834], "mean": -0.608, "spread": 0.2044}, "at": 1786965288}, "tier": 1, "relegate_reason": [], "submitted_at": 1786964397, "scored_at": 1786965288, "alerts": [], "rank": 1968}, {"candidate_id": "ODC-DA8BEE", "res_at": 1786881730, "skeleton": "OEBZLJFWCWKYFK", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.148, "axes": {"activity": 16.57, "binding": 15.2, "selectivity": 6.05, "admet": 4.59, "novelty": 4.56, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 7.28, "LE": 0.399, "potency_term": 0.76, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.398, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.158, "ld50-zhu": 0.504, "herg": 0.46, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.594126348470312, "aff_pf": -1.2797480424245198, "aff_hs": -0.4835016429424286, "repeats_pf": {"runs": 3, "values": [-1.2693, -1.2831, -1.2868], "mean": -1.2797, "spread": 0.0176}, "repeats_hs": {"runs": 3, "values": [-0.4989, -0.5429, -0.4087], "mean": -0.4835, "spread": 0.1341}, "at": 1786881730}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875298, "scored_at": 1786881730, "alerts": [], "rank": 1969}, {"candidate_id": "ODC-F70471", "res_at": 1787084108, "skeleton": "BVUWHZAHWORQLT", "hf_user": "1Dmeds", "display_name": "ODC26-MB-34", "model_name": "Claude Opus 5 ladder-anchored design", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 50.142, "axes": {"activity": 22.11, "binding": 8.44, "selectivity": 6.12, "admet": 5.79, "novelty": 4.52, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.927, "fraction": 0.737}, "binding": {"pIC50": 6.27, "LE": 0.358, "potency_term": 0.422, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.3, "selectivity_term": 0.726, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.622, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.351, "herg": 0.923, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.926616309823383, "aff_pf": -0.26528137425581616, "aff_hs": 1.1864598194758098, "repeats_pf": {"runs": 3, "values": [-0.2422, -0.3233, -0.2303], "mean": -0.2653, "spread": 0.093}, "repeats_hs": {"runs": 3, "values": [1.2426, 1.1287, 1.1881], "mean": 1.1865, "spread": 0.1138}, "at": 1787084108}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069850, "scored_at": 1787084108, "alerts": [], "rank": 1970}, {"candidate_id": "ODC-D90286", "res_at": 1789326828, "skeleton": "XPNWMVHNJAYSID", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-05_TFEO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.139, "axes": {"activity": 15.53, "binding": 16.17, "selectivity": 4.04, "admet": 5.81, "novelty": 4.8, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 7.43, "LE": 0.407, "potency_term": 0.808, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.808}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.6, "ld50-zhu": 0.394, "herg": 0.173, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.531703336204888, "aff_pf": -1.4250686168670654, "aff_hs": -0.9251029888788859, "repeats_pf": {"runs": 3, "values": [-1.3268, -1.4802, -1.4683], "mean": -1.4251, "spread": 0.1534}, "repeats_hs": {"runs": 3, "values": [-1.0035, -0.9044, -0.8674], "mean": -0.9251, "spread": 0.1361}, "at": 1789326828}, "tier": 1, "alerts": [], "total_sd": 0.911, "total_ci95": [48.231, 51.576], "relegate_reason": [], "submitted_at": 1789318284, "scored_at": 1789326828, "rank": 1971}, {"candidate_id": "ODC-2BA39F", "res_at": 1789998328, "skeleton": "MZBOGECFARESKO", "hf_user": "Bio-JS", "display_name": "0921-S1-25", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.102, "axes": {"activity": 20.6, "binding": 13.18, "selectivity": 6.42, "admet": 3.97, "novelty": 2.7, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.836, "fraction": 0.687}, "binding": {"pIC50": 6.98, "LE": 0.368, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.487, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 0.932, "ld50-zhu": 0.431, "herg": 0.057, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "0", "pAct_q10": 5.835879083793717, "aff_pf": -0.9776732722918192, "aff_hs": -0.0043517351150512695, "repeats_pf": {"runs": 3, "values": [-0.9733, -0.8699, -1.0898], "mean": -0.9777, "spread": 0.22}, "repeats_hs": {"runs": 3, "values": [0.0438, -0.1583, 0.1014], "mean": -0.0044, "spread": 0.2597}, "at": 1789998328}, "tier": 1, "alerts": [], "total_sd": 0.934, "total_ci95": [48.362, 52.138], "relegate_reason": [], "submitted_at": 1789990479, "scored_at": 1789998328, "rank": 1972}, {"candidate_id": "ODC-7AB687", "res_at": 1789971984, "skeleton": "IBXUKDMHXDCEML", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.098, "axes": {"activity": 14.25, "binding": 16.9, "selectivity": 6.88, "admet": 5.2, "novelty": 4.08, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.568, "herg": 0.728, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "2", "pAct_q10": 5.454733068673903, "aff_pf": -1.53525972366333, "aff_hs": -0.721244732538859, "repeats_pf": {"runs": 3, "values": [-1.5159, -1.5672, -1.5227], "mean": -1.5353, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [-0.7836, -0.688, -0.6921], "mean": -0.7212, "spread": 0.0956}, "at": 1789971984}, "tier": 1, "alerts": [], "total_sd": 0.375, "total_ci95": [49.445, 50.823], "relegate_reason": [], "submitted_at": 1789918962, "scored_at": 1789971984, "rank": 1973}, {"candidate_id": "ODC-7BAE2A", "res_at": 1787525954, "skeleton": "NPVVAVUORURERH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 50.093, "axes": {"activity": 12.02, "binding": 14.37, "selectivity": 11.69, "admet": 4.61, "novelty": 4.76, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.401}, "binding": {"pIC50": 7.16, "LE": 0.408, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.3, "selectivity_term": 0.813, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.248, "ld50-zhu": 0.584, "herg": 0.551, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.321468193059115, "aff_pf": -1.1559104522069295, "aff_hs": 0.47063591082890827, "repeats_pf": {"runs": 3, "values": [-1.1824, -1.1739, -1.1114], "mean": -1.1559, "spread": 0.071}, "repeats_hs": {"runs": 3, "values": [0.5537, 0.5125, 0.3457], "mean": 0.4706, "spread": 0.208}, "at": 1787525954}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520670, "scored_at": 1787525954, "alerts": [], "rank": 1974}, {"candidate_id": "ODC-B1A2C0", "res_at": 1787337808, "skeleton": "BTTMYXNRBJVOBT", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1c(Cl)nc2nc(C(C)(F)F)nn2c1Nc1ccc(C(F)(F)F)c(F)c1", "smiles_masked": null, "total": 50.084, "axes": {"activity": 16.8, "binding": 13.45, "selectivity": 9.9, "admet": 3.59, "novelty": 3.47, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.608, "fraction": 0.56}, "binding": {"pIC50": 7.02, "LE": 0.356, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.7, "selectivity_term": 0.736, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.384, "herg": 0.087, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.607925960703528, "aff_pf": -1.0173176924387615, "aff_hs": 0.45476839939753216, "repeats_pf": {"runs": 3, "values": [-1.0443, -0.991, -1.0167], "mean": -1.0173, "spread": 0.0533}, "repeats_hs": {"runs": 3, "values": [0.4429, 0.546, 0.3754], "mean": 0.4548, "spread": 0.1706}, "at": 1787337808}, "tier": 1, "relegate_reason": [], "submitted_at": 1787337589, "scored_at": 1787337808, "alerts": [], "rank": 1975}, {"candidate_id": "ODC-EB1D4D", "res_at": 1787140290, "skeleton": "FZVIXICAVXIGCC", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.077, "axes": {"activity": 12.16, "binding": 16.87, "selectivity": 8.53, "admet": 4.6, "novelty": 4.43, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.405}, "binding": {"pIC50": 7.53, "LE": 0.413, "potency_term": 0.844, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.844}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.63, "ld50-zhu": 0.496, "herg": 0.332, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.329856025659495, "aff_pf": -1.5312058925628662, "aff_hs": -0.5197867155075073, "repeats_pf": {"runs": 3, "values": [-1.5468, -1.5368, -1.51], "mean": -1.5312, "spread": 0.0368}, "repeats_hs": {"runs": 3, "values": [-0.4526, -0.5439, -0.5629], "mean": -0.5198, "spread": 0.1103}, "at": 1787140290}, "tier": 1, "relegate_reason": [], "submitted_at": 1787140043, "scored_at": 1787140290, "alerts": [], "rank": 1976}, {"candidate_id": "ODC-B09870", "res_at": 1786910779, "skeleton": "WKAMUKDVZOILHD", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 50.071, "axes": {"activity": 11.02, "binding": 15.61, "selectivity": 11.0, "admet": 5.32, "novelty": 3.78, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.261, "fraction": 0.367}, "binding": {"pIC50": 7.34, "LE": 0.419, "potency_term": 0.78, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.7, "selectivity_term": 0.705, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.588, "herg": 0.357, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.261158010679401, "aff_pf": -1.3409415483474731, "aff_hs": 0.06901274621486664, "repeats_pf": {"runs": 3, "values": [-1.2598, -1.381, -1.382], "mean": -1.3409, "spread": 0.1222}, "repeats_hs": {"runs": 3, "values": [0.0379, 0.0901, 0.079], "mean": 0.069, "spread": 0.0521}, "at": 1786910779}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900941, "scored_at": 1786910779, "alerts": [], "rank": 1977}, {"candidate_id": "ODC-74C531", "res_at": 1787883356, "skeleton": "ZQFYSEWSIZBAMI", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L13", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1c(··········1CCC2", "total": 50.04, "axes": {"activity": 28.4, "binding": 6.6, "selectivity": 0.22, "admet": 4.41, "novelty": 6.74, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.304, "fraction": 0.947}, "binding": {"pIC50": 5.99, "LE": 0.304, "potency_term": 0.33, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.033, "target_engagement": 0.33}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.541, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.303857971832054, "aff_pf": 0.010583454122145971, "aff_hs": 0.07656442125638326, "repeats_pf": {"runs": 3, "values": [-0.0173, 0.0377, 0.0113], "mean": 0.0106, "spread": 0.055}, "repeats_hs": {"runs": 3, "values": [0.1902, 0.0716, -0.0321], "mean": 0.0766, "spread": 0.2223}, "at": 1787883356}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822348, "scored_at": 1787883356, "alerts": [], "rank": 1978}, {"candidate_id": "ODC-8E7CAA", "res_at": 1788599549, "skeleton": "QWJLLKUJGOSBBG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 50.038, "axes": {"activity": 19.18, "binding": 13.31, "selectivity": 5.71, "admet": 5.07, "novelty": 3.88, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.751, "fraction": 0.639}, "binding": {"pIC50": 7.0, "LE": 0.399, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 0.243, "ld50-zhu": 0.419, "herg": 0.812, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.750978278973017, "aff_pf": -0.9962736368179321, "aff_hs": -0.13890557487805685, "repeats_pf": {"runs": 3, "values": [-0.9608, -1.0727, -0.9553], "mean": -0.9963, "spread": 0.1174}, "repeats_hs": {"runs": 3, "values": [-0.0861, 0.016, -0.3467], "mean": -0.1389, "spread": 0.3627}, "at": 1788599549}, "tier": 1, "alerts": [], "total_sd": 0.915, "total_ci95": [48.389, 51.983], "relegate_reason": [], "submitted_at": 1788583673, "scored_at": 1788599549, "rank": 1979}, {"candidate_id": "ODC-2BC295", "res_at": 1787414074, "skeleton": "CRJUHOZTYOOPBD", "hf_user": "takutoyo", "display_name": "PfD14-14", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 50.025, "axes": {"activity": 13.35, "binding": 15.81, "selectivity": 5.44, "admet": 7.89, "novelty": 5.0, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 7.37, "LE": 0.421, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.665, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.516, "herg": 1.0, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 5.400935955520727, "aff_pf": -1.3712354898452759, "aff_hs": -0.6825154821077982, "repeats_pf": {"runs": 3, "values": [-1.324, -1.3567, -1.433], "mean": -1.3712, "spread": 0.109}, "repeats_hs": {"runs": 3, "values": [-0.5259, -0.8987, -0.6229], "mean": -0.6825, "spread": 0.3728}, "at": 1787414074}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408108, "scored_at": 1787414074, "rank": 1980}, {"candidate_id": "ODC-D4F0ED", "res_at": 1788141455, "skeleton": "IWUYEMYWXZHKOP", "hf_user": "Bio-JS", "display_name": "K2 코어호핑 · 트라이아졸로[1,5-a]피리딘", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2c1", "total": 50.024, "axes": {"activity": 13.74, "binding": 12.89, "selectivity": 12.01, "admet": 4.23, "novelty": 4.19, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 6.93, "LE": 0.413, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 73.0, "selectivity_term": 0.932, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.594, "ld50-zhu": 0.411, "herg": 0.67, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.424393352511989, "aff_pf": -0.9339618484179179, "aff_hs": 0.9292898575464884, "repeats_pf": {"runs": 3, "values": [-0.8975, -0.945, -0.9594], "mean": -0.934, "spread": 0.0619}, "repeats_hs": {"runs": 3, "values": [0.9037, 0.8189, 1.0653], "mean": 0.9293, "spread": 0.2465}, "at": 1788141455}, "tier": 1, "alerts": [], "total_sd": 0.53, "total_ci95": [49.101, 51.204], "relegate_reason": [], "submitted_at": 1788139209, "scored_at": 1788141455, "rank": 1981}, {"candidate_id": "ODC-18EF2D", "res_at": 1789194306, "skeleton": "IRTNPTVKUYAIQU", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_CCS_5Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 50.014, "axes": {"activity": 13.25, "binding": 16.51, "selectivity": 6.9, "admet": 4.98, "novelty": 4.74, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.395, "fraction": 0.442}, "binding": {"pIC50": 7.48, "LE": 0.427, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.418, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.691, "ld50-zhu": 0.458, "herg": 0.322, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.394907313561485, "aff_pf": -1.4764835834503174, "aff_hs": -0.6410834590593973, "repeats_pf": {"runs": 3, "values": [-1.4548, -1.4719, -1.5027], "mean": -1.4765, "spread": 0.0479}, "repeats_hs": {"runs": 3, "values": [-0.6877, -0.7248, -0.5107], "mean": -0.6411, "spread": 0.2141}, "at": 1789194306}, "tier": 1, "alerts": [], "total_sd": 0.546, "total_ci95": [49.061, 51.09], "relegate_reason": [], "submitted_at": 1789177460, "scored_at": 1789194306, "rank": 1982}, {"candidate_id": "ODC-52A6D7", "res_at": 1787615905, "skeleton": "PWRSSQKUXFLVKY", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-메틸아제티딘-3-일 (4원 N-H)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 50.002, "axes": {"activity": 21.53, "binding": 8.82, "selectivity": 8.39, "admet": 3.49, "novelty": 4.78, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.892, "fraction": 0.718}, "binding": {"pIC50": 6.58, "LE": 0.251, "potency_term": 0.528, "efficiency_cap": 0.835}, "selectivity": {"fold": 38.7, "selectivity_term": 0.794, "target_engagement": 0.528}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.324, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.451, "herg": 0.05, "dili": 0.344}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.891504605207415, "aff_pf": -0.584119846423467, "aff_hs": 1.0038814544677734, "repeats_pf": {"runs": 3, "values": [-0.6651, -0.7528, -0.3345], "mean": -0.5841, "spread": 0.4184}, "repeats_hs": {"runs": 3, "values": [1.0147, 1.0387, 0.9583], "mean": 1.0039, "spread": 0.0804}, "at": 1787615905}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614429, "scored_at": 1787615905, "alerts": [], "rank": 1983}, {"candidate_id": "ODC-842581", "res_at": 1786954110, "skeleton": "KGJIMYBZLIZXRJ", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-07", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.986, "axes": {"activity": 11.83, "binding": 13.33, "selectivity": 13.33, "admet": 4.79, "novelty": 3.52, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.394}, "binding": {"pIC50": 7.0, "LE": 0.457, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 193.7, "selectivity_term": 1.0, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.363, "herg": 0.313, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.472, "novelty": 0.528}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.309674296919709, "aff_pf": -0.9989327987035116, "aff_hs": 1.2882920106252034, "repeats_pf": {"runs": 3, "values": [-0.9871, -1.0123, -0.9974], "mean": -0.9989, "spread": 0.0251}, "repeats_hs": {"runs": 3, "values": [1.4212, 1.1303, 1.3133], "mean": 1.2883, "spread": 0.2909}, "at": 1786954110}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949095, "scored_at": 1786954110, "alerts": [], "rank": 1984}, {"candidate_id": "ODC-FE087D", "res_at": 1787125193, "skeleton": "ISEJWJNMJFHCSE", "hf_user": "takutoyo", "display_name": "PfD7-A3", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 49.985, "axes": {"activity": 19.11, "binding": 13.45, "selectivity": 7.11, "admet": 3.63, "novelty": 4.24, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.747, "fraction": 0.637}, "binding": {"pIC50": 7.02, "LE": 0.385, "potency_term": 0.673, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.529, "target_engagement": 0.673}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.11, "caco2-wang": 0.596, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.972, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.393, "ld50-zhu": 0.308, "herg": 0.333, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.746559716415492, "aff_pf": -1.0178795258204143, "aff_hs": 0.03927931189537048, "repeats_pf": {"runs": 3, "values": [-1.0251, -0.9896, -1.0389], "mean": -1.0179, "spread": 0.0493}, "repeats_hs": {"runs": 3, "values": [0.1342, 0.2114, -0.2278], "mean": 0.0393, "spread": 0.4393}, "at": 1787125193}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108178, "scored_at": 1787125193, "alerts": [], "rank": 1985}, {"candidate_id": "ODC-6E6755", "res_at": 1788518347, "skeleton": "SIGVMOCFUIQIML", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Me/p-Cl", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.984, "axes": {"activity": 11.78, "binding": 15.46, "selectivity": 13.4, "admet": 5.48, "novelty": 0.0, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 7.32, "LE": 0.501, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.2, "selectivity_term": 0.867, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.296, "cyp3a4-substrate-carbonmangels": 0.149, "ld50-zhu": 0.284, "herg": 0.649, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "0", "pAct_q10": 5.306694408670976, "aff_pf": -1.3183294534683228, "aff_hs": 0.4159754316012065, "repeats_pf": {"runs": 3, "values": [-1.2983, -1.3224, -1.3343], "mean": -1.3183, "spread": 0.036}, "repeats_hs": {"runs": 3, "values": [0.4707, 0.3937, 0.3835], "mean": 0.416, "spread": 0.0873}, "at": 1788518347}, "tier": 1, "alerts": [], "total_sd": 0.264, "total_ci95": [49.497, 50.501], "relegate_reason": [], "submitted_at": 1788487727, "scored_at": 1788518347, "rank": 1986}, {"candidate_id": "ODC-C32D49", "res_at": 1786909505, "skeleton": "YPGOBZAFMFEEDD", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Cc··········nc2n1", "total": 49.979, "axes": {"activity": 20.84, "binding": 11.22, "selectivity": 6.49, "admet": 3.91, "novelty": 4.46, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.85, "fraction": 0.695}, "binding": {"pIC50": 6.68, "LE": 0.352, "potency_term": 0.561, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.4, "selectivity_term": 0.579, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.446, "herg": 0.26, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.850479788658527, "aff_pf": -0.6823704838752747, "aff_hs": 0.4753644069035848, "repeats_pf": {"runs": 3, "values": [-0.7221, -0.6938, -0.6312], "mean": -0.6824, "spread": 0.0909}, "repeats_hs": {"runs": 3, "values": [0.4761, 0.4181, 0.5319], "mean": 0.4754, "spread": 0.1138}, "at": 1786909505}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899519, "scored_at": 1786909505, "alerts": [], "rank": 1987}, {"candidate_id": "ODC-FBC98E", "res_at": 1789438465, "skeleton": "XZDYJYWYUCTUHQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 49.979, "axes": {"activity": 12.3, "binding": 17.47, "selectivity": 4.32, "admet": 6.51, "novelty": 5.65, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 7.62, "LE": 0.435, "potency_term": 0.874, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.545, "ld50-zhu": 0.592, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.3378183957335885, "aff_pf": -1.6209651629130046, "aff_hs": -1.126293142636617, "repeats_pf": {"runs": 3, "values": [-1.6486, -1.5971, -1.6172], "mean": -1.621, "spread": 0.0515}, "repeats_hs": {"runs": 3, "values": [-1.1434, -1.1171, -1.1183], "mean": -1.1263, "spread": 0.0263}, "at": 1789438465}, "tier": 1, "alerts": [], "total_sd": 0.273, "total_ci95": [49.435, 50.447], "relegate_reason": [], "submitted_at": 1789435610, "scored_at": 1789438465, "rank": 1988}, {"candidate_id": "ODC-CD4AF5", "res_at": 1787118664, "skeleton": "OMAWRROBARHAIG", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········)COC1", "total": 49.975, "axes": {"activity": 26.53, "binding": 5.01, "selectivity": 3.34, "admet": 5.23, "novelty": 6.52, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 6.192, "fraction": 0.884}, "binding": {"pIC50": 5.97, "LE": 0.234, "potency_term": 0.322, "efficiency_cap": 0.778}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.322}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.7, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.191815646351368, "aff_pf": 0.034558052817980446, "aff_hs": 1.0735230048497517, "repeats_pf": {"runs": 3, "values": [-0.0822, 0.0727, 0.1133], "mean": 0.0346, "spread": 0.1955}, "repeats_hs": {"runs": 3, "values": [1.118, 1.0919, 1.0107], "mean": 1.0735, "spread": 0.1072}, "at": 1787118664}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101122, "scored_at": 1787118664, "alerts": [], "rank": 1989}, {"candidate_id": "ODC-C5B898", "res_at": 1787152646, "skeleton": "HBTDSOLEZSZCJF", "hf_user": "Ku-ku", "display_name": "M07_SEt_Br3Cl", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.969, "axes": {"activity": 16.15, "binding": 15.5, "selectivity": 6.13, "admet": 5.06, "novelty": 3.38, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 5.569, "fraction": 0.538}, "binding": {"pIC50": 7.33, "LE": 0.456, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.396, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.991, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.316, "herg": 0.279, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.56886018821039, "aff_pf": -1.3255414565404255, "aff_hs": -0.534513384103775, "repeats_pf": {"runs": 3, "values": [-1.3026, -1.2791, -1.3949], "mean": -1.3255, "spread": 0.1157}, "repeats_hs": {"runs": 3, "values": [-0.5062, -0.404, -0.6933], "mean": -0.5345, "spread": 0.2893}, "at": 1787152646}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148024, "scored_at": 1787152646, "alerts": [], "rank": 1990}, {"candidate_id": "ODC-2C8261", "res_at": 1787566630, "skeleton": "JNTSGKBDUARMRB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)(··········2)cc1", "total": 49.968, "axes": {"activity": 17.05, "binding": 11.3, "selectivity": 12.86, "admet": 2.33, "novelty": 3.89, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 6.93, "LE": 0.264, "potency_term": 0.643, "efficiency_cap": 0.879}, "selectivity": {"fold": 101.9, "selectivity_term": 1.0, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.378, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.395, "herg": 0.05, "dili": 0.397}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.622992999552374, "aff_pf": -0.9288545250892639, "aff_hs": 1.0792054732640584, "repeats_pf": {"runs": 3, "values": [-0.9273, -0.8965, -0.9628], "mean": -0.9289, "spread": 0.0663}, "repeats_hs": {"runs": 3, "values": [0.974, 1.1869, 1.0767], "mean": 1.0792, "spread": 0.2129}, "at": 1787566630}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557270, "scored_at": 1787566630, "alerts": [], "rank": 1991}, {"candidate_id": "ODC-948A4D", "res_at": 1786937170, "skeleton": "VCFMYYHSYMQIJU", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 49.963, "axes": {"activity": 18.03, "binding": 12.92, "selectivity": 9.12, "admet": 4.49, "novelty": 2.86, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 6.94, "LE": 0.352, "potency_term": 0.646, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.8, "selectivity_term": 0.706, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.452, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "2", "pAct_q10": 5.682040914904237, "aff_pf": -0.9383233388264974, "aff_hs": 0.47318514188130695, "repeats_pf": {"runs": 3, "values": [-0.9305, -0.9189, -0.9656], "mean": -0.9383, "spread": 0.0466}, "repeats_hs": {"runs": 3, "values": [0.4224, 0.5271, 0.47], "mean": 0.4732, "spread": 0.1047}, "at": 1786937170}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926480, "scored_at": 1786937170, "alerts": [], "rank": 1992}, {"candidate_id": "ODC-F69321", "res_at": 1787635055, "skeleton": "REKCWMNPYHKTCO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.953, "axes": {"activity": 15.26, "binding": 17.02, "selectivity": 4.22, "admet": 4.91, "novelty": 4.9, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 7.55, "LE": 0.414, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.248, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.677, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.645, "herg": 0.123, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.515764495469803, "aff_pf": -1.552520513534546, "aff_hs": -1.0563815832138062, "repeats_pf": {"runs": 3, "values": [-1.5439, -1.5156, -1.598], "mean": -1.5525, "spread": 0.0824}, "repeats_hs": {"runs": 3, "values": [-1.1005, -0.957, -1.1117], "mean": -1.0564, "spread": 0.1547}, "at": 1787635055}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633850, "scored_at": 1787635055, "alerts": [], "rank": 1993}, {"candidate_id": "ODC-AC25C1", "res_at": 1789624263, "skeleton": "JQVYJQWRSHLJOS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.919, "axes": {"activity": 21.21, "binding": 9.74, "selectivity": 5.49, "admet": 6.24, "novelty": 4.2, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.873, "fraction": 0.707}, "binding": {"pIC50": 6.46, "LE": 0.369, "potency_term": 0.487, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.75, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.57, "herg": 0.576, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.87281330519089, "aff_pf": -0.4611344635486603, "aff_hs": 0.666823665301005, "repeats_pf": {"runs": 3, "values": [-0.4994, -0.4943, -0.3897], "mean": -0.4611, "spread": 0.1097}, "repeats_hs": {"runs": 3, "values": [0.6604, 0.6415, 0.6986], "mean": 0.6668, "spread": 0.057}, "at": 1789624263}, "tier": 1, "alerts": [], "total_sd": 0.454, "total_ci95": [48.872, 50.604], "relegate_reason": [], "submitted_at": 1789619407, "scored_at": 1789624263, "rank": 1994}, {"candidate_id": "ODC-14E7FB", "res_at": 1786817814, "skeleton": "LNKUGUUHRWPJFF", "hf_user": "ipsych", "display_name": "TPS-SEt-4Br3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.916, "axes": {"activity": 16.58, "binding": 14.81, "selectivity": 6.28, "admet": 5.03, "novelty": 3.64, "synthesis": 3.58}, "detail": {"activity": {"pAct_q10": 5.595, "fraction": 0.553}, "binding": {"pIC50": 7.22, "LE": 0.45, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.424, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.421, "herg": 0.172, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.594777804113591, "aff_pf": -1.221880316734314, "aff_hs": -0.374595582485199, "repeats_pf": {"runs": 3, "values": [-1.3116, -1.2094, -1.1447], "mean": -1.2219, "spread": 0.1669}, "repeats_hs": {"runs": 3, "values": [-0.4651, -0.3081, -0.3506], "mean": -0.3746, "spread": 0.1571}, "at": 1786817814}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789748, "scored_at": 1786817814, "alerts": [], "rank": 1995}, {"candidate_id": "ODC-07A363", "res_at": 1787200491, "skeleton": "GEGUGPLZXRZWSY", "hf_user": "Ku-ku", "display_name": "K4_an4SCF3", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.912, "axes": {"activity": 19.59, "binding": 14.49, "selectivity": 4.83, "admet": 4.41, "novelty": 3.36, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.776, "fraction": 0.653}, "binding": {"pIC50": 7.17, "LE": 0.378, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.333, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.216, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.545, "herg": 0.101, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.77563003476869, "aff_pf": -1.1728951930999756, "aff_hs": -0.5061114430427551, "repeats_pf": {"runs": 3, "values": [-1.1336, -1.2438, -1.1412], "mean": -1.1729, "spread": 0.1102}, "repeats_hs": {"runs": 3, "values": [-0.5114, -0.5356, -0.4714], "mean": -0.5061, "spread": 0.0642}, "at": 1787200491}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195730, "scored_at": 1787200491, "alerts": [], "rank": 1996}, {"candidate_id": "ODC-116CCB", "res_at": 1787880832, "skeleton": "UCQQLFGLWVTLGD", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L08", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········)CCC2", "total": 49.91, "axes": {"activity": 23.65, "binding": 11.06, "selectivity": 2.43, "admet": 4.13, "novelty": 5.54, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 6.019, "fraction": 0.788}, "binding": {"pIC50": 6.66, "LE": 0.338, "potency_term": 0.553, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.553}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.779, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.019039816009906, "aff_pf": -0.6587217648824056, "aff_hs": -0.2184508020679156, "repeats_pf": {"runs": 3, "values": [-0.7317, -0.5876, -0.6569], "mean": -0.6587, "spread": 0.1442}, "repeats_hs": {"runs": 3, "values": [-0.3521, -0.428, 0.1247], "mean": -0.2185, "spread": 0.5527}, "at": 1787880832}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822329, "scored_at": 1787880832, "alerts": [], "rank": 1997}, {"candidate_id": "ODC-D485F7", "res_at": 1788765216, "skeleton": "UEDUYLQFZFFQJF", "hf_user": "Bio-JS", "display_name": "0906-S1-08 SMe/CN/R6-F/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.904, "axes": {"activity": 10.2, "binding": 16.56, "selectivity": 9.55, "admet": 5.27, "novelty": 4.97, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.212, "fraction": 0.34}, "binding": {"pIC50": 7.48, "LE": 0.41, "potency_term": 0.828, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.577, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.521, "herg": 0.594, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.21181727076141, "aff_pf": -1.4840137561162312, "aff_hs": -0.3308364947636922, "repeats_pf": {"runs": 3, "values": [-1.5334, -1.4685, -1.4501], "mean": -1.484, "spread": 0.0832}, "repeats_hs": {"runs": 3, "values": [-0.3317, -0.2928, -0.368], "mean": -0.3308, "spread": 0.0752}, "at": 1788765216}, "tier": 1, "alerts": [], "total_sd": 0.547, "total_ci95": [48.979, 50.899], "relegate_reason": [], "submitted_at": 1788665914, "scored_at": 1788765216, "rank": 1998}, {"candidate_id": "ODC-A6EDCF", "res_at": 1787729968, "skeleton": "RMDBSEZJUNZGSX", "hf_user": "Bio-JS", "display_name": "B 아닐린 고리 아자 (3-피리딜)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.9, "axes": {"activity": 16.93, "binding": 13.08, "selectivity": 10.6, "admet": 2.56, "novelty": 4.31, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.564}, "binding": {"pIC50": 7.21, "LE": 0.267, "potency_term": 0.735, "efficiency_cap": 0.889}, "selectivity": {"fold": 27.7, "selectivity_term": 0.721, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.27, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.61579813444649, "aff_pf": -1.2058279116948445, "aff_hs": 0.2361602783203125, "repeats_pf": {"runs": 3, "values": [-1.1897, -1.148, -1.2798], "mean": -1.2058, "spread": 0.1317}, "repeats_hs": {"runs": 3, "values": [0.2248, 0.1738, 0.3099], "mean": 0.2362, "spread": 0.1361}, "at": 1787729968}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726431, "scored_at": 1787729968, "alerts": [], "rank": 1999}, {"candidate_id": "ODC-A2734C", "res_at": 1786916008, "skeleton": "VDQWOLWNYFWKBT", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.894, "axes": {"activity": 12.95, "binding": 13.92, "selectivity": 11.01, "admet": 5.43, "novelty": 3.42, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 7.09, "LE": 0.422, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.2, "selectivity_term": 0.791, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.514, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.531, "herg": 0.412, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.377183918613323, "aff_pf": -1.088012456893921, "aff_hs": 0.49413960178693134, "repeats_pf": {"runs": 3, "values": [-1.164, -0.9326, -1.1675], "mean": -1.088, "spread": 0.2349}, "repeats_hs": {"runs": 3, "values": [0.5233, 0.4626, 0.4965], "mean": 0.4941, "spread": 0.0607}, "at": 1786916008}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915239, "scored_at": 1786916008, "alerts": [], "rank": 2000}, {"candidate_id": "ODC-20B4B5", "res_at": 1789106360, "skeleton": "OMQDCRIQSZIVLW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.893, "axes": {"activity": 12.53, "binding": 16.33, "selectivity": 8.59, "admet": 5.54, "novelty": 3.44, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.817, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.817}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.336, "cyp3a4-substrate-carbonmangels": 0.145, "ld50-zhu": 0.388, "herg": 0.37, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.351693328812512, "aff_pf": -1.4499736626942952, "aff_hs": -0.39849908153216046, "repeats_pf": {"runs": 3, "values": [-1.4544, -1.4292, -1.4663], "mean": -1.45, "spread": 0.0372}, "repeats_hs": {"runs": 3, "values": [-0.3524, -0.382, -0.4612], "mean": -0.3985, "spread": 0.1088}, "at": 1789106360}, "tier": 1, "alerts": [], "total_sd": 0.314, "total_ci95": [49.309, 50.493], "relegate_reason": [], "submitted_at": 1789093613, "scored_at": 1789106360, "rank": 2001}, {"candidate_id": "ODC-00ABE3", "res_at": 1787085208, "skeleton": "WDQMJHDTWGAOQJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 49.876, "axes": {"activity": 23.53, "binding": 11.64, "selectivity": 3.23, "admet": 2.82, "novelty": 5.41, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.012, "fraction": 0.784}, "binding": {"pIC50": 6.75, "LE": 0.319, "potency_term": 0.582, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.466, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.174, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 6.011851375653601, "aff_pf": -0.7454138398170471, "aff_hs": -0.19042135775089264, "repeats_pf": {"runs": 3, "values": [-0.7975, -0.6287, -0.81], "mean": -0.7454, "spread": 0.1814}, "repeats_hs": {"runs": 3, "values": [-0.271, -0.2179, -0.0823], "mean": -0.1904, "spread": 0.1887}, "at": 1787085208}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074108, "scored_at": 1787085208, "alerts": [], "rank": 2002}, {"candidate_id": "ODC-F9762F", "res_at": 1788422962, "skeleton": "CARXNWURJOGPFS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 49.876, "axes": {"activity": 20.24, "binding": 15.92, "selectivity": 1.65, "admet": 3.91, "novelty": 4.18, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.814, "fraction": 0.675}, "binding": {"pIC50": 7.61, "LE": 0.274, "potency_term": 0.87, "efficiency_cap": 0.915}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.875, "ld50-zhu": 0.56, "herg": 0.05, "dili": 0.265}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.8143518555738956, "aff_pf": -1.610836386680603, "aff_hs": -1.4209039608637493, "repeats_pf": {"runs": 3, "values": [-1.6042, -1.5747, -1.6536], "mean": -1.6108, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [-1.6541, -1.3403, -1.2683], "mean": -1.4209, "spread": 0.3857}, "at": 1788422962}, "tier": 1, "alerts": [], "total_sd": 0.897, "total_ci95": [48.147, 51.443], "relegate_reason": [], "submitted_at": 1788361259, "scored_at": 1788422962, "rank": 2003}, {"candidate_id": "ODC-C29BAF", "res_at": 1789118957, "skeleton": "PFBUOJWMSDTMIC", "hf_user": "Bio-JS", "display_name": "0911-S1-anil_5", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.875, "axes": {"activity": 12.95, "binding": 15.19, "selectivity": 8.86, "admet": 5.56, "novelty": 3.98, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 7.28, "LE": 0.399, "potency_term": 0.759, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.7, "selectivity_term": 0.583, "target_engagement": 0.759}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.815, "herg": 0.296, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.376945715413758, "aff_pf": -1.2781728108723958, "aff_hs": -0.11125378807385762, "repeats_pf": {"runs": 3, "values": [-1.2574, -1.2914, -1.2858], "mean": -1.2782, "spread": 0.034}, "repeats_hs": {"runs": 3, "values": [-0.0491, -0.0664, -0.2183], "mean": -0.1113, "spread": 0.1692}, "at": 1789118957}, "tier": 1, "alerts": [], "total_sd": 0.371, "total_ci95": [49.063, 50.532], "relegate_reason": [], "submitted_at": 1789117019, "scored_at": 1789118957, "rank": 2004}, {"candidate_id": "ODC-8A97AD", "res_at": 1786970075, "skeleton": "MBMXRDPZDRISCE", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.866, "axes": {"activity": 10.81, "binding": 16.13, "selectivity": 9.22, "admet": 5.61, "novelty": 4.37, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.36}, "binding": {"pIC50": 7.42, "LE": 0.424, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.688, "ld50-zhu": 0.583, "herg": 0.393, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.248678918173706, "aff_pf": -1.4193590084711711, "aff_hs": -0.27622481683890027, "repeats_pf": {"runs": 3, "values": [-1.3925, -1.4857, -1.3799], "mean": -1.4194, "spread": 0.1057}, "repeats_hs": {"runs": 3, "values": [-0.2235, -0.1448, -0.4604], "mean": -0.2762, "spread": 0.3156}, "at": 1786970075}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968881, "scored_at": 1786970075, "alerts": [], "rank": 2005}, {"candidate_id": "ODC-5EE9BA", "res_at": 1787966741, "skeleton": "YERRSSZJBCJGRP", "hf_user": "Ku-ku", "display_name": "KK-M-0829-577", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········nc2n1", "total": 49.865, "axes": {"activity": 22.64, "binding": 10.86, "selectivity": 4.04, "admet": 4.23, "novelty": 4.92, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.958, "fraction": 0.755}, "binding": {"pIC50": 6.63, "LE": 0.336, "potency_term": 0.543, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.543}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.822, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.372, "ld50-zhu": 0.471, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.958369759542699, "aff_pf": -0.6297251979509989, "aff_hs": 0.11323695381482442, "repeats_pf": {"runs": 3, "values": [-0.7253, -0.5011, -0.6628], "mean": -0.6297, "spread": 0.2242}, "repeats_hs": {"runs": 3, "values": [0.1718, 0.1419, 0.026], "mean": 0.1132, "spread": 0.1458}, "at": 1787966741}, "tier": 1, "relegate_reason": [], "submitted_at": 1787964468, "scored_at": 1787966741, "alerts": [], "rank": 2006}, {"candidate_id": "ODC-522630", "res_at": 1788592365, "skeleton": "YLKGWSAUIIFQFL", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.859, "axes": {"activity": 16.26, "binding": 13.97, "selectivity": 7.39, "admet": 5.21, "novelty": 3.96, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.576, "fraction": 0.542}, "binding": {"pIC50": 7.1, "LE": 0.405, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.529, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.532, "herg": 0.511, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.575638436020822, "aff_pf": -1.0951058864593506, "aff_hs": -0.037439425786336265, "repeats_pf": {"runs": 3, "values": [-1.1456, -1.0712, -1.0685], "mean": -1.0951, "spread": 0.0771}, "repeats_hs": {"runs": 3, "values": [0.0191, 0.01, -0.1414], "mean": -0.0374, "spread": 0.1605}, "at": 1788592365}, "tier": 1, "alerts": [], "total_sd": 0.577, "total_ci95": [48.901, 51.03], "relegate_reason": [], "submitted_at": 1788583539, "scored_at": 1788592365, "rank": 2007}, {"candidate_id": "ODC-03BAB8", "res_at": 1786901688, "skeleton": "CVCIPHRHVRAUAV", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.848, "axes": {"activity": 12.55, "binding": 14.68, "selectivity": 9.69, "admet": 6.07, "novelty": 3.47, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.348, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.447, "cyp3a4-substrate-carbonmangels": 0.701, "ld50-zhu": 0.573, "herg": 0.302, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.353136719061737, "aff_pf": -1.2018485069274902, "aff_hs": 0.11860918005307515, "repeats_pf": {"runs": 3, "values": [-1.2349, -1.2359, -1.1348], "mean": -1.2018, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [0.1394, 0.0945, 0.1219], "mean": 0.1186, "spread": 0.0449}, "at": 1786901688}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888065, "scored_at": 1786901688, "alerts": [], "rank": 2008}, {"candidate_id": "ODC-BEBFC4", "res_at": 1786888851, "skeleton": "YEHXEMXOPCBWTP", "hf_user": "ALEX32321", "display_name": "ALEXAI-RECLAIM-V07-03-CSc-Cl-pCF3-mCF2H", "model_name": "OpenAI GPT-5.6 Sol + OpenCrab Curated6", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.818, "axes": {"activity": 11.8, "binding": 17.19, "selectivity": 8.83, "admet": 4.13, "novelty": 4.23, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 7.58, "LE": 0.399, "potency_term": 0.86, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.7, "selectivity_term": 0.514, "target_engagement": 0.86}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.424, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.652, "herg": 0.105, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 5.307768192928872, "aff_pf": -1.5792009035746257, "aff_hs": -0.5516586502393087, "repeats_pf": {"runs": 3, "values": [-1.5771, -1.5921, -1.5684], "mean": -1.5792, "spread": 0.0237}, "repeats_hs": {"runs": 3, "values": [-0.5246, -0.5401, -0.5903], "mean": -0.5517, "spread": 0.0658}, "at": 1786888851}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880410, "scored_at": 1786888851, "alerts": [], "rank": 2009}, {"candidate_id": "ODC-D61178", "res_at": 1786943513, "skeleton": "JOEXWGLMXQWTRP", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 49.816, "axes": {"activity": 14.41, "binding": 14.63, "selectivity": 9.66, "admet": 3.62, "novelty": 4.18, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.48}, "binding": {"pIC50": 7.19, "LE": 0.379, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.636, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.427, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.4646592498142, "aff_pf": -1.194150447845459, "aff_hs": 0.12727688252925873, "repeats_pf": {"runs": 3, "values": [-1.2711, -1.0769, -1.2344], "mean": -1.1942, "spread": 0.1942}, "repeats_hs": {"runs": 3, "values": [0.1052, 0.2821, -0.0055], "mean": 0.1273, "spread": 0.2876}, "at": 1786943513}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934255, "scored_at": 1786943513, "alerts": [], "rank": 2010}, {"candidate_id": "ODC-8ADB9D", "res_at": 1789949762, "skeleton": "JQTPAMHOCMXHBZ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.816, "axes": {"activity": 22.17, "binding": 7.56, "selectivity": 8.34, "admet": 3.72, "novelty": 4.8, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.93, "fraction": 0.739}, "binding": {"pIC50": 6.37, "LE": 0.249, "potency_term": 0.455, "efficiency_cap": 0.831}, "selectivity": {"fold": 68.0, "selectivity_term": 0.916, "target_engagement": 0.455}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.496, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.067, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.741, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.930495792984876, "aff_pf": -0.3652334014574687, "aff_hs": 1.4675832589467366, "repeats_pf": {"runs": 3, "values": [-0.3387, -0.3803, -0.3766], "mean": -0.3652, "spread": 0.0416}, "repeats_hs": {"runs": 3, "values": [1.6437, 1.3241, 1.4349], "mean": 1.4676, "spread": 0.3195}, "at": 1789949762}, "tier": 1, "alerts": [], "total_sd": 0.431, "total_ci95": [49.047, 50.729], "relegate_reason": [], "submitted_at": 1789837467, "scored_at": 1789949762, "rank": 2011}, {"candidate_id": "ODC-CEA23E", "res_at": 1787455992, "skeleton": "ZQUFOPJREGJFSK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 49.761, "axes": {"activity": 11.47, "binding": 16.22, "selectivity": 10.12, "admet": 4.38, "novelty": 4.67, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 7.43, "LE": 0.377, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.81, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.297, "ld50-zhu": 0.67, "herg": 0.186, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.288376777502794, "aff_pf": -1.4325673580169678, "aff_hs": -0.18472178280353546, "repeats_pf": {"runs": 3, "values": [-1.4435, -1.4126, -1.4416], "mean": -1.4326, "spread": 0.0308}, "repeats_hs": {"runs": 3, "values": [-0.2499, -0.1432, -0.161], "mean": -0.1847, "spread": 0.1067}, "at": 1787455992}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453398, "scored_at": 1787455992, "alerts": [], "rank": 2012}, {"candidate_id": "ODC-420C04", "res_at": 1787505249, "skeleton": "VKFPGAHZVMRKSF", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.757, "axes": {"activity": 17.67, "binding": 12.46, "selectivity": 9.96, "admet": 2.75, "novelty": 4.02, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.66, "fraction": 0.589}, "binding": {"pIC50": 6.99, "LE": 0.282, "potency_term": 0.664, "efficiency_cap": 0.939}, "selectivity": {"fold": 31.7, "selectivity_term": 0.751, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.092, "ld50-zhu": 0.378, "herg": 0.05, "dili": 0.111}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.660048761500843, "aff_pf": -0.9907760222752889, "aff_hs": 0.5107212165991465, "repeats_pf": {"runs": 3, "values": [-0.9683, -0.9606, -1.0435], "mean": -0.9908, "spread": 0.0829}, "repeats_hs": {"runs": 3, "values": [0.5744, 0.4789, 0.4788], "mean": 0.5107, "spread": 0.0956}, "at": 1787505249}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497925, "scored_at": 1787505249, "alerts": [], "rank": 2013}, {"candidate_id": "ODC-42A3CB", "res_at": 1790016893, "skeleton": "GRAFYAJAMUGKKD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 49.757, "axes": {"activity": 11.6, "binding": 14.38, "selectivity": 11.56, "admet": 4.73, "novelty": 4.61, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.387}, "binding": {"pIC50": 7.16, "LE": 0.409, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.5, "selectivity_term": 0.804, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.908, "ld50-zhu": 0.662, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.295903841989733, "aff_pf": -1.1567949453989665, "aff_hs": 0.45107470949490863, "repeats_pf": {"runs": 3, "values": [-1.1708, -1.1243, -1.1753], "mean": -1.1568, "spread": 0.0509}, "repeats_hs": {"runs": 3, "values": [0.5567, 0.2587, 0.5379], "mean": 0.4511, "spread": 0.298}, "at": 1790016893}, "tier": 1, "alerts": [], "total_sd": 0.712, "total_ci95": [48.293, 50.901], "relegate_reason": [], "submitted_at": 1790008914, "scored_at": 1790016893, "rank": 2014}, {"candidate_id": "ODC-EB431E", "res_at": 1788230983, "skeleton": "RTUCWGSEVNFTJX", "hf_user": "Ku-ku", "display_name": "KK-M-0831-756", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)c1Cl", "total": 49.744, "axes": {"activity": 27.42, "binding": 8.43, "selectivity": 0.0, "admet": 4.31, "novelty": 6.85, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 6.245, "fraction": 0.914}, "binding": {"pIC50": 6.28, "LE": 0.297, "potency_term": 0.426, "efficiency_cap": 0.989}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.426}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.779, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.91}}, "run": {"gpu": "3", "pAct_q10": 6.245037995541852, "aff_pf": -0.27949415644009906, "aff_hs": -0.5862371722857157, "repeats_pf": {"runs": 3, "values": [-0.279, -0.2798, -0.2797], "mean": -0.2795, "spread": 0.0008}, "repeats_hs": {"runs": 3, "values": [-0.6277, -0.5386, -0.5925], "mean": -0.5862, "spread": 0.0891}, "at": 1788230983}, "tier": 1, "alerts": [], "total_sd": 0.002, "total_ci95": [49.742, 49.747], "relegate_reason": [], "submitted_at": 1788186807, "scored_at": 1788230983, "rank": 2015}, {"candidate_id": "ODC-24B002", "res_at": 1786982529, "skeleton": "MDLGLCBVIULEBM", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 49.731, "axes": {"activity": 16.01, "binding": 13.92, "selectivity": 9.31, "admet": 4.66, "novelty": 2.46, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.09, "LE": 0.405, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.603, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.466, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.647, "novelty": 0.353}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "2", "pAct_q10": 5.560571881692823, "aff_pf": -1.0876413981119792, "aff_hs": 0.2502795259157817, "repeats_pf": {"runs": 3, "values": [-1.0998, -1.0199, -1.1432], "mean": -1.0876, "spread": 0.1234}, "repeats_hs": {"runs": 3, "values": [0.3184, 0.2603, 0.1721], "mean": 0.2503, "spread": 0.1464}, "at": 1786982529}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979460, "scored_at": 1786982529, "alerts": [], "rank": 2016}, {"candidate_id": "ODC-46FFCB", "res_at": 1789624962, "skeleton": "QHUHJFFIZSPYAI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.728, "axes": {"activity": 23.81, "binding": 10.55, "selectivity": 1.47, "admet": 6.05, "novelty": 4.22, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.029, "fraction": 0.794}, "binding": {"pIC50": 6.58, "LE": 0.361, "potency_term": 0.527, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.527}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.437, "cyp3a4-substrate-carbonmangels": 0.445, "ld50-zhu": 0.355, "herg": 0.261, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 6.028666671989794, "aff_pf": -0.5823051730791727, "aff_hs": -0.30363965034484863, "repeats_pf": {"runs": 3, "values": [-0.6729, -0.3399, -0.7341], "mean": -0.5823, "spread": 0.3942}, "repeats_hs": {"runs": 3, "values": [-0.2221, -0.3957, -0.2932], "mean": -0.3036, "spread": 0.1736}, "at": 1789624962}, "tier": 1, "alerts": [], "total_sd": 1.228, "total_ci95": [46.957, 51.807], "relegate_reason": [], "submitted_at": 1789619490, "scored_at": 1789624962, "rank": 2017}, {"candidate_id": "ODC-8E8A3C", "res_at": 1787569734, "skeleton": "KVSMEEGGULEZTF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 49.722, "axes": {"activity": 27.23, "binding": 6.57, "selectivity": 0.0, "admet": 7.67, "novelty": 7.09, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 6.234, "fraction": 0.908}, "binding": {"pIC50": 6.07, "LE": 0.277, "potency_term": 0.356, "efficiency_cap": 0.924}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.958, "cyp2c9-veith": 0.999, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.966, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.219, "novelty": 0.781}, "synthesis": {"sa_score": 5.11}}, "run": {"gpu": "3", "pAct_q10": 6.233898560522962, "aff_pf": -0.06684774160385132, "aff_hs": -0.5424196918805441, "repeats_pf": {"runs": 3, "values": [-0.0474, -0.0753, -0.0779], "mean": -0.0668, "spread": 0.0305}, "repeats_hs": {"runs": 3, "values": [-0.5724, -0.4879, -0.567], "mean": -0.5424, "spread": 0.0844}, "at": 1787569734}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566948, "scored_at": 1787569734, "alerts": [], "rank": 2018}, {"candidate_id": "ODC-293542", "res_at": 1788963526, "skeleton": "APFIEUFQKQYQSG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 49.716, "axes": {"activity": 10.82, "binding": 16.39, "selectivity": 10.08, "admet": 5.71, "novelty": 2.88, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.361}, "binding": {"pIC50": 7.46, "LE": 0.426, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.615, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.509, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.858, "cyp2c9-veith": 0.362, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.397}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.249161551217701, "aff_pf": -1.458000938097636, "aff_hs": -0.22780910631020865, "repeats_pf": {"runs": 3, "values": [-1.4668, -1.461, -1.4461], "mean": -1.458, "spread": 0.0207}, "repeats_hs": {"runs": 3, "values": [-0.2572, -0.2318, -0.1944], "mean": -0.2278, "spread": 0.0628}, "at": 1788963526}, "tier": 1, "alerts": [], "total_sd": 0.164, "total_ci95": [49.378, 49.997], "relegate_reason": [], "submitted_at": 1788962960, "scored_at": 1788963526, "rank": 2019}, {"candidate_id": "ODC-3534BA", "res_at": 1786874317, "skeleton": "IFGAFAQCWKQYJT", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.715, "axes": {"activity": 14.25, "binding": 16.12, "selectivity": 6.13, "admet": 5.79, "novelty": 4.17, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 7.42, "LE": 0.407, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.38, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.452, "herg": 0.406, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.482, "novelty": 0.518}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 5.4551713724632585, "aff_pf": -1.4184566736221313, "aff_hs": -0.6585323413213094, "repeats_pf": {"runs": 3, "values": [-1.4042, -1.4449, -1.4063], "mean": -1.4185, "spread": 0.0407}, "repeats_hs": {"runs": 3, "values": [-0.6581, -0.6625, -0.655], "mean": -0.6585, "spread": 0.0075}, "at": 1786874317}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866715, "scored_at": 1786874317, "alerts": [], "rank": 2020}, {"candidate_id": "ODC-4C7430", "res_at": 1787151014, "skeleton": "CBXUEHTXHAMKJG", "hf_user": "Ku-ku", "display_name": "M02_SCHF2_Br3CF3", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.691, "axes": {"activity": 18.62, "binding": 15.04, "selectivity": 5.08, "admet": 3.71, "novelty": 3.88, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.717, "fraction": 0.621}, "binding": {"pIC50": 7.26, "LE": 0.382, "potency_term": 0.752, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.752}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.622, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.716929713801098, "aff_pf": -1.2556325197219849, "aff_hs": -0.5794380207856497, "repeats_pf": {"runs": 3, "values": [-1.287, -1.316, -1.1639], "mean": -1.2556, "spread": 0.152}, "repeats_hs": {"runs": 3, "values": [-0.777, -0.688, -0.2733], "mean": -0.5794, "spread": 0.5037}, "at": 1787151014}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148008, "scored_at": 1787151014, "alerts": [], "rank": 2021}, {"candidate_id": "ODC-2C96DE", "res_at": 1787879385, "skeleton": "GAOGNLADQSKMGC", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L06", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(Cl··········1CCC2", "total": 49.664, "axes": {"activity": 21.44, "binding": 13.31, "selectivity": 3.57, "admet": 3.59, "novelty": 5.0, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.887, "fraction": 0.715}, "binding": {"pIC50": 7.0, "LE": 0.369, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.842, "ld50-zhu": 0.445, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.886654315718104, "aff_pf": -0.9970714648564657, "aff_hs": -0.46122199296951294, "repeats_pf": {"runs": 3, "values": [-0.9778, -1.0483, -0.9651], "mean": -0.9971, "spread": 0.0832}, "repeats_hs": {"runs": 3, "values": [-0.5505, -0.5989, -0.2342], "mean": -0.4612, "spread": 0.3648}, "at": 1787879385}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822322, "scored_at": 1787879385, "alerts": [], "rank": 2022}, {"candidate_id": "ODC-AD67FE", "res_at": 1787379205, "skeleton": "ROMSIZYNTXHELP", "hf_user": "1Dmeds", "display_name": "ODC26-G24", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········C1CC2", "total": 49.664, "axes": {"activity": 30.0, "binding": 6.1, "selectivity": 0.0, "admet": 4.09, "novelty": 7.02, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 6.595, "fraction": 1.0}, "binding": {"pIC50": 6.06, "LE": 0.259, "potency_term": 0.353, "efficiency_cap": 0.865}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.084, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.168, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.832, "herg": 0.05, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 4.29}}, "run": {"gpu": "3", "pAct_q10": 6.595244462676972, "aff_pf": -0.058690086007118225, "aff_hs": -0.26623167594273883, "repeats_pf": {"runs": 3, "values": [-0.1959, 0.0866, -0.0668], "mean": -0.0587, "spread": 0.2825}, "repeats_hs": {"runs": 3, "values": [-0.2029, -0.2708, -0.3251], "mean": -0.2662, "spread": 0.1222}, "at": 1787379205}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372809, "scored_at": 1787379205, "alerts": [], "rank": 2023}, {"candidate_id": "ODC-598ADB", "res_at": 1786947357, "skeleton": "LMSTZHWKGNKMCB", "hf_user": "ipsych", "display_name": "TPH-CN5-SMe-4OCF3-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.661, "axes": {"activity": 15.28, "binding": 15.22, "selectivity": 6.28, "admet": 5.32, "novelty": 4.33, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.509}, "binding": {"pIC50": 7.28, "LE": 0.384, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.885, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.63, "ld50-zhu": 0.8, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.516601367792641, "aff_pf": -1.2830098470052083, "aff_hs": -0.4573500057061513, "repeats_pf": {"runs": 3, "values": [-1.257, -1.332, -1.26], "mean": -1.283, "spread": 0.075}, "repeats_hs": {"runs": 3, "values": [-0.4864, -0.4304, -0.4552], "mean": -0.4574, "spread": 0.056}, "at": 1786947357}, "tier": 1, "relegate_reason": [], "submitted_at": 1786936742, "scored_at": 1786947357, "alerts": [], "rank": 2024}, {"candidate_id": "ODC-B19814", "res_at": 1787605840, "skeleton": "DXNDXVKPLPIDKE", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.654, "axes": {"activity": 22.57, "binding": 8.45, "selectivity": 7.6, "admet": 3.22, "novelty": 5.17, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.954, "fraction": 0.752}, "binding": {"pIC50": 6.56, "LE": 0.243, "potency_term": 0.521, "efficiency_cap": 0.81}, "selectivity": {"fold": 28.7, "selectivity_term": 0.729, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.359, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.373, "herg": 0.05, "dili": 0.215}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.954017177855004, "aff_pf": -0.5644317964712778, "aff_hs": 0.89351354042689, "repeats_pf": {"runs": 3, "values": [-0.4449, -0.6862, -0.5622], "mean": -0.5644, "spread": 0.2413}, "repeats_hs": {"runs": 3, "values": [0.867, 0.8993, 0.9143], "mean": 0.8935, "spread": 0.0473}, "at": 1787605840}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605253, "scored_at": 1787605840, "alerts": [], "rank": 2025}, {"candidate_id": "ODC-EDAC0A", "res_at": 1787520697, "skeleton": "RULQSHKFJLXGJX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.649, "axes": {"activity": 19.02, "binding": 16.5, "selectivity": 3.5, "admet": 4.02, "novelty": 3.24, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.741, "fraction": 0.634}, "binding": {"pIC50": 7.47, "LE": 0.379, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.658, "ld50-zhu": 0.573, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.741250202166551, "aff_pf": -1.474833091100057, "aff_hs": -1.0510169863700867, "repeats_pf": {"runs": 3, "values": [-1.4387, -1.4763, -1.5095], "mean": -1.4748, "spread": 0.0708}, "repeats_hs": {"runs": 3, "values": [-1.0809, -1.0899, -0.9823], "mean": -1.051, "spread": 0.1076}, "at": 1787520697}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520486, "scored_at": 1787520697, "alerts": [], "rank": 2026}, {"candidate_id": "ODC-480DDD", "res_at": 1789961205, "skeleton": "XWZOZLKPLAPHAW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.647, "axes": {"activity": 13.15, "binding": 15.66, "selectivity": 6.9, "admet": 6.36, "novelty": 4.49, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.438}, "binding": {"pIC50": 7.35, "LE": 0.419, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.491, "cyp3a4-substrate-carbonmangels": 0.401, "ld50-zhu": 0.759, "herg": 0.297, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.38886397197666, "aff_pf": -1.3484828472137451, "aff_hs": -0.46643643577893573, "repeats_pf": {"runs": 3, "values": [-1.3426, -1.3563, -1.3465], "mean": -1.3485, "spread": 0.0136}, "repeats_hs": {"runs": 3, "values": [-0.5478, -0.4276, -0.4238], "mean": -0.4664, "spread": 0.124}, "at": 1789961205}, "tier": 1, "alerts": [], "total_sd": 0.264, "total_ci95": [49.217, 50.078], "relegate_reason": [], "submitted_at": 1789889283, "scored_at": 1789961205, "rank": 2027}, {"candidate_id": "ODC-0F786C", "res_at": 1787521854, "skeleton": "OOCGBFBIQKDIIA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 49.641, "axes": {"activity": 16.02, "binding": 15.28, "selectivity": 5.03, "admet": 5.33, "novelty": 4.98, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 7.29, "LE": 0.4, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.329, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.471, "herg": 0.371, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.561270673919873, "aff_pf": -1.2919030984242756, "aff_hs": -0.6333630879720052, "repeats_pf": {"runs": 3, "values": [-1.2599, -1.2708, -1.345], "mean": -1.2919, "spread": 0.0852}, "repeats_hs": {"runs": 3, "values": [-0.5908, -0.5636, -0.7457], "mean": -0.6334, "spread": 0.1821}, "at": 1787521854}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520512, "scored_at": 1787521854, "alerts": [], "rank": 2028}, {"candidate_id": "ODC-AD414E", "res_at": 1787547284, "skeleton": "ONJLWGVVZQIYKG", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.641, "axes": {"activity": 19.75, "binding": 10.1, "selectivity": 10.2, "admet": 3.05, "novelty": 4.31, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.785, "fraction": 0.658}, "binding": {"pIC50": 6.77, "LE": 0.257, "potency_term": 0.589, "efficiency_cap": 0.858}, "selectivity": {"fold": 54.1, "selectivity_term": 0.867, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.351, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.598, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 5.785186889551338, "aff_pf": -0.7659328381220499, "aff_hs": 0.9670986731847128, "repeats_pf": {"runs": 3, "values": [-0.5821, -0.9697, -0.746], "mean": -0.7659, "spread": 0.3876}, "repeats_hs": {"runs": 3, "values": [0.9891, 1.0921, 0.8201], "mean": 0.9671, "spread": 0.272}, "at": 1787547284}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523366, "scored_at": 1787547284, "alerts": [], "rank": 2029}, {"candidate_id": "ODC-BCDE39", "res_at": 1788832032, "skeleton": "GINNSKGFSDLGJA", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.641, "axes": {"activity": 13.85, "binding": 17.45, "selectivity": 6.51, "admet": 5.09, "novelty": 2.91, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 7.62, "LE": 0.401, "potency_term": 0.872, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.872}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.432, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.431228202102176, "aff_pf": -1.6168975432713826, "aff_hs": -0.8710251053174337, "repeats_pf": {"runs": 3, "values": [-1.6376, -1.6344, -1.5787], "mean": -1.6169, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [-0.8546, -0.8469, -0.9116], "mean": -0.871, "spread": 0.0647}, "at": 1788832032}, "tier": 1, "alerts": [], "total_sd": 0.344, "total_ci95": [49.015, 50.271], "relegate_reason": [], "submitted_at": 1788829610, "scored_at": 1788832032, "rank": 2030}, {"candidate_id": "ODC-75473B", "res_at": 1789438066, "skeleton": "KYAUBKOGIDUVFX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.626, "axes": {"activity": 11.15, "binding": 15.95, "selectivity": 8.75, "admet": 6.31, "novelty": 4.06, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.269, "fraction": 0.372}, "binding": {"pIC50": 7.39, "LE": 0.422, "potency_term": 0.798, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.5, "selectivity_term": 0.548, "target_engagement": 0.798}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.975, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.749, "cyp3a4-substrate-carbonmangels": 0.316, "ld50-zhu": 0.452, "herg": 0.191, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.268883587190432, "aff_pf": -1.3929555416107178, "aff_hs": -0.2959884727994601, "repeats_pf": {"runs": 3, "values": [-1.4475, -1.3883, -1.3431], "mean": -1.393, "spread": 0.1045}, "repeats_hs": {"runs": 3, "values": [-0.2017, -0.1029, -0.5833], "mean": -0.296, "spread": 0.4804}, "at": 1789438066}, "tier": 1, "alerts": [], "total_sd": 1.207, "total_ci95": [46.987, 51.655], "relegate_reason": [], "submitted_at": 1789435526, "scored_at": 1789438066, "rank": 2031}, {"candidate_id": "ODC-208B0B", "res_at": 1788521958, "skeleton": "IWGGELQQQOVBLG", "hf_user": "Bio-JS", "display_name": "0904-S1 P0/cPrCC/tmSO2", "model_name": "Bio-JS", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········2)CC1", "total": 49.613, "axes": {"activity": 18.24, "binding": 12.67, "selectivity": 8.97, "admet": 2.86, "novelty": 4.28, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.694, "fraction": 0.608}, "binding": {"pIC50": 7.11, "LE": 0.271, "potency_term": 0.703, "efficiency_cap": 0.902}, "selectivity": {"fold": 18.9, "selectivity_term": 0.638, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.461, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.541, "herg": 0.05, "dili": 0.232}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.694491680526233, "aff_pf": -1.1083231965700786, "aff_hs": 0.16773706674575806, "repeats_pf": {"runs": 3, "values": [-1.1604, -0.9708, -1.1938], "mean": -1.1083, "spread": 0.2231}, "repeats_hs": {"runs": 3, "values": [0.242, 0.1233, 0.1379], "mean": 0.1677, "spread": 0.1187}, "at": 1788521958}, "tier": 1, "alerts": [], "total_sd": 1.327, "total_ci95": [46.935, 51.791], "relegate_reason": [], "submitted_at": 1788487977, "scored_at": 1788521958, "rank": 2032}, {"candidate_id": "ODC-76CB84", "res_at": 1789313236, "skeleton": "XPUBZYAABQSYIK", "hf_user": "trblnfxn", "display_name": "NC-BRG-03_MW426_cPentAm", "model_name": "Hermes-MWBridge-v8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.612, "axes": {"activity": 20.63, "binding": 10.67, "selectivity": 7.8, "admet": 3.43, "novelty": 3.96, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.838, "fraction": 0.688}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.0, "selectivity_term": 0.731, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.139, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.286, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.837558590970429, "aff_pf": -0.6009845534960429, "aff_hs": 0.8615418473879496, "repeats_pf": {"runs": 3, "values": [-0.6064, -0.6545, -0.542], "mean": -0.601, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [0.8339, 0.8595, 0.8913], "mean": 0.8615, "spread": 0.0574}, "at": 1789313236}, "tier": 1, "alerts": [], "total_sd": 0.461, "total_ci95": [48.727, 50.525], "relegate_reason": [], "submitted_at": 1789309899, "scored_at": 1789313236, "rank": 2033}, {"candidate_id": "ODC-A9AC37", "res_at": 1788491302, "skeleton": "WICRPVANRGDMEE", "hf_user": "Ku-ku", "display_name": "KK-M-0903-025", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.609, "axes": {"activity": 9.56, "binding": 15.7, "selectivity": 11.89, "admet": 4.2, "novelty": 5.76, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.174, "fraction": 0.319}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.785, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.7, "selectivity_term": 0.757, "target_engagement": 0.785}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.441, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.1735356766906895, "aff_pf": -1.3554388682047527, "aff_hs": 0.15920612464348474, "repeats_pf": {"runs": 3, "values": [-1.4621, -1.313, -1.2912], "mean": -1.3554, "spread": 0.1708}, "repeats_hs": {"runs": 3, "values": [0.4076, -0.0038, 0.0738], "mean": 0.1592, "spread": 0.4114}, "at": 1788491302}, "tier": 1, "alerts": [], "total_sd": 1.34, "total_ci95": [47.328, 52.51], "relegate_reason": [], "submitted_at": 1788430777, "scored_at": 1788491302, "rank": 2034}, {"candidate_id": "ODC-CAD49A", "res_at": 1788520919, "skeleton": "QFNZYGBTXUWFMD", "hf_user": "Bio-JS", "display_name": "0904-S1 P0/azetidin3yl/tmSO", "model_name": "Bio-JS", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.594, "axes": {"activity": 21.08, "binding": 9.48, "selectivity": 8.15, "admet": 3.35, "novelty": 4.68, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 6.64, "LE": 0.26, "potency_term": 0.547, "efficiency_cap": 0.867}, "selectivity": {"fold": 30.8, "selectivity_term": 0.745, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.353, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.526, "herg": 0.05, "dili": 0.245}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.8647827677104285, "aff_pf": -0.6410925984382629, "aff_hs": 0.8480009833971659, "repeats_pf": {"runs": 3, "values": [-0.5084, -0.6994, -0.7154], "mean": -0.6411, "spread": 0.207}, "repeats_hs": {"runs": 3, "values": [0.854, 0.8592, 0.8307], "mean": 0.848, "spread": 0.0285}, "at": 1788520919}, "tier": 1, "alerts": [], "total_sd": 0.905, "total_ci95": [48.347, 50.938], "relegate_reason": [], "submitted_at": 1788487941, "scored_at": 1788520919, "rank": 2035}, {"candidate_id": "ODC-70AC6A", "res_at": 1787614945, "skeleton": "LDHGYQNSAQRIQX", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 1-아세틸아제티딘-3-일 (4원 N-아실)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 49.59, "axes": {"activity": 18.07, "binding": 10.03, "selectivity": 12.47, "admet": 2.49, "novelty": 4.04, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.684, "fraction": 0.602}, "binding": {"pIC50": 6.87, "LE": 0.241, "potency_term": 0.623, "efficiency_cap": 0.804}, "selectivity": {"fold": 105.7, "selectivity_term": 1.0, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.394, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.36, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.684484882202391, "aff_pf": -0.8701310157775879, "aff_hs": 1.1540611187616985, "repeats_pf": {"runs": 3, "values": [-0.8212, -0.9036, -0.8856], "mean": -0.8701, "spread": 0.0824}, "repeats_hs": {"runs": 3, "values": [1.0654, 1.3355, 1.0613], "mean": 1.1541, "spread": 0.2743}, "at": 1787614945}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614405, "scored_at": 1787614945, "alerts": [], "rank": 2036}, {"candidate_id": "ODC-EC8E51", "res_at": 1787027322, "skeleton": "FIJYVUPIHBIHLC", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.575, "axes": {"activity": 6.55, "binding": 16.37, "selectivity": 13.46, "admet": 5.18, "novelty": 4.37, "synthesis": 3.66}, "detail": {"activity": {"pAct_q10": 4.993, "fraction": 0.218}, "binding": {"pIC50": 7.46, "LE": 0.444, "potency_term": 0.819, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.0, "selectivity_term": 0.822, "target_engagement": 0.819}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.993, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.516, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 4.9928240110161495, "aff_pf": -1.4557304779688518, "aff_hs": 0.18820193906625113, "repeats_pf": {"runs": 3, "values": [-1.4544, -1.5565, -1.3563], "mean": -1.4557, "spread": 0.2002}, "repeats_hs": {"runs": 3, "values": [0.0626, 0.1019, 0.4], "mean": 0.1882, "spread": 0.3374}, "at": 1787027322}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025231, "scored_at": 1787027322, "alerts": [], "rank": 2037}, {"candidate_id": "ODC-5AD991", "res_at": 1789894121, "skeleton": "GKLXLVLXKDOMBM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 49.564, "axes": {"activity": 25.13, "binding": 9.97, "selectivity": 0.29, "admet": 5.23, "novelty": 5.62, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 6.108, "fraction": 0.838}, "binding": {"pIC50": 6.5, "LE": 0.307, "potency_term": 0.499, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.499}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.671, "herg": 0.131, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.107828643872782, "aff_pf": -0.49598056077957153, "aff_hs": -0.4369145631790161, "repeats_pf": {"runs": 3, "values": [-0.5247, -0.5234, -0.4399], "mean": -0.496, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [-0.4304, -0.4149, -0.4654], "mean": -0.4369, "spread": 0.0505}, "at": 1789894121}, "tier": 1, "alerts": [], "total_sd": 0.298, "total_ci95": [48.91, 49.992], "relegate_reason": [], "submitted_at": 1789658484, "scored_at": 1789894121, "rank": 2038}, {"candidate_id": "ODC-E95A05", "res_at": 1787245816, "skeleton": "NJOLLTNPWWQLKQ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-18", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC#Cc1c··········nc2n1", "total": 49.561, "axes": {"activity": 21.42, "binding": 12.42, "selectivity": 4.91, "admet": 3.55, "novelty": 4.44, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.885, "fraction": 0.714}, "binding": {"pIC50": 6.86, "LE": 0.376, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.395, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.934, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.141, "ld50-zhu": 0.318, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.885454634223348, "aff_pf": -0.8635203838348389, "aff_hs": -0.07289612293243408, "repeats_pf": {"runs": 3, "values": [-0.8447, -0.8859, -0.86], "mean": -0.8635, "spread": 0.0412}, "repeats_hs": {"runs": 3, "values": [0.037, -0.1334, -0.1222], "mean": -0.0729, "spread": 0.1704}, "at": 1787245816}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238607, "scored_at": 1787245816, "alerts": [], "rank": 2039}, {"candidate_id": "ODC-D7480C", "res_at": 1789896244, "skeleton": "PZIBDSQQOVHLAF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.558, "axes": {"activity": 18.3, "binding": 15.91, "selectivity": 3.03, "admet": 5.01, "novelty": 4.12, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.698, "fraction": 0.61}, "binding": {"pIC50": 7.39, "LE": 0.405, "potency_term": 0.796, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.546, "herg": 0.461, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.697797749425093, "aff_pf": -1.386776089668274, "aff_hs": -1.0057794253031414, "repeats_pf": {"runs": 3, "values": [-1.4437, -1.3085, -1.4081], "mean": -1.3868, "spread": 0.1352}, "repeats_hs": {"runs": 3, "values": [-0.9561, -1.0528, -1.0085], "mean": -1.0058, "spread": 0.0967}, "at": 1789896244}, "tier": 1, "alerts": [], "total_sd": 0.727, "total_ci95": [48.065, 50.909], "relegate_reason": [], "submitted_at": 1789758094, "scored_at": 1789896244, "rank": 2040}, {"candidate_id": "ODC-F0B129", "res_at": 1788071081, "skeleton": "UVYBLGPCPBWASC", "hf_user": "Bio-JS", "display_name": "29 챔피언(61.59) x 팔2", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 49.554, "axes": {"activity": 20.71, "binding": 10.52, "selectivity": 8.01, "admet": 2.88, "novelty": 5.05, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.843, "fraction": 0.69}, "binding": {"pIC50": 6.9, "LE": 0.249, "potency_term": 0.634, "efficiency_cap": 0.83}, "selectivity": {"fold": 18.3, "selectivity_term": 0.632, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.615, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.269, "novelty": 0.731}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.842688591478994, "aff_pf": -0.9025152722994486, "aff_hs": 0.3607138991355896, "repeats_pf": {"runs": 3, "values": [-0.8872, -0.8348, -0.9856], "mean": -0.9025, "spread": 0.1508}, "repeats_hs": {"runs": 3, "values": [-0.2589, 0.8258, 0.5152], "mean": 0.3607, "spread": 1.0847}, "at": 1788071081}, "tier": 1, "alerts": [], "total_sd": 1.805, "total_ci95": [45.624, 52.503], "relegate_reason": [], "submitted_at": 1788017556, "scored_at": 1788071081, "rank": 2041}, {"candidate_id": "ODC-B1715D", "res_at": 1787637958, "skeleton": "FQBFPEDBFXMFKE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-F14", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········)CCC1", "total": 49.553, "axes": {"activity": 24.13, "binding": 10.38, "selectivity": 3.55, "admet": 3.14, "novelty": 5.77, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 6.048, "fraction": 0.804}, "binding": {"pIC50": 6.76, "LE": 0.265, "potency_term": 0.588, "efficiency_cap": 0.883}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.562, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.743, "herg": 0.221, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 6.048027340261575, "aff_pf": -0.7637722194194794, "aff_hs": -0.1593592738111814, "repeats_pf": {"runs": 3, "values": [-0.3856, -1.1182, -0.7875], "mean": -0.7638, "spread": 0.7325}, "repeats_hs": {"runs": 3, "values": [-0.1625, -0.2098, -0.1059], "mean": -0.1594, "spread": 0.1039}, "at": 1787637958}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635249, "scored_at": 1787637958, "alerts": [], "rank": 2042}, {"candidate_id": "ODC-5566B0", "res_at": 1789901960, "skeleton": "QNFFWBRLHQDMHB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········C(F)F", "total": 49.55, "axes": {"activity": 21.37, "binding": 15.81, "selectivity": 0.24, "admet": 4.4, "novelty": 4.74, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.882, "fraction": 0.712}, "binding": {"pIC50": 7.37, "LE": 0.361, "potency_term": 0.791, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.015, "target_engagement": 0.791}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.457, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "2", "pAct_q10": 5.88222801043973, "aff_pf": -1.3721707661946614, "aff_hs": -1.342385172843933, "repeats_pf": {"runs": 3, "values": [-1.3225, -1.387, -1.4071], "mean": -1.3722, "spread": 0.0846}, "repeats_hs": {"runs": 3, "values": [-1.2033, -1.4206, -1.4032], "mean": -1.3424, "spread": 0.2173}, "at": 1789901960}, "tier": 1, "alerts": [], "total_sd": 0.529, "total_ci95": [48.982, 50.826], "relegate_reason": [], "submitted_at": 1789758210, "scored_at": 1789901960, "rank": 2043}, {"candidate_id": "ODC-EB6CDB", "res_at": 1789889519, "skeleton": "JCGDUFAUEMJCRT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 49.543, "axes": {"activity": 20.1, "binding": 14.32, "selectivity": 3.74, "admet": 3.8, "novelty": 4.67, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.806, "fraction": 0.67}, "binding": {"pIC50": 7.15, "LE": 0.363, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.533, "ld50-zhu": 0.452, "herg": 0.088, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.80577594656071, "aff_pf": -1.1485617955525715, "aff_hs": -0.6260714729626974, "repeats_pf": {"runs": 3, "values": [-1.1857, -1.1484, -1.1116], "mean": -1.1486, "spread": 0.0742}, "repeats_hs": {"runs": 3, "values": [-0.5466, -0.6695, -0.6621], "mean": -0.6261, "spread": 0.123}, "at": 1789889519}, "tier": 1, "alerts": [], "total_sd": 0.436, "total_ci95": [48.74, 50.372], "relegate_reason": [], "submitted_at": 1789657767, "scored_at": 1789889519, "rank": 2044}, {"candidate_id": "ODC-5F7841", "res_at": 1786944525, "skeleton": "UERTWHYUUMSVNF", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 49.502, "axes": {"activity": 17.58, "binding": 13.72, "selectivity": 8.23, "admet": 3.25, "novelty": 3.65, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.8, "selectivity_term": 0.6, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.988, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.844, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.654669149302257, "aff_pf": -1.0586069027582805, "aff_hs": 0.1410164088010788, "repeats_pf": {"runs": 3, "values": [-1.0167, -1.0355, -1.1237], "mean": -1.0586, "spread": 0.107}, "repeats_hs": {"runs": 3, "values": [0.1843, 0.0747, 0.1641], "mean": 0.141, "spread": 0.1096}, "at": 1786944525}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934270, "scored_at": 1786944525, "alerts": [], "rank": 2045}, {"candidate_id": "ODC-A88E28", "res_at": 1787714252, "skeleton": "RNKQSRJXKJFNRK", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCC(C)··········(C)n1", "total": 49.49, "axes": {"activity": 26.0, "binding": 5.71, "selectivity": 1.58, "admet": 8.09, "novelty": 6.63, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 6.16, "fraction": 0.867}, "binding": {"pIC50": 6.0, "LE": 0.257, "potency_term": 0.333, "efficiency_cap": 0.856}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.333}, "admet": {"geometric_mean": 0.622, "per_endpoint": {"solubility-aqsoldb": 0.677, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.99, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.78, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.235, "novelty": 0.765}, "synthesis": {"sa_score": 4.8}}, "run": {"gpu": "3", "pAct_q10": 6.16014751274706, "aff_pf": 0.0004844764868418376, "aff_hs": 0.4735151032606761, "repeats_pf": {"runs": 3, "values": [0.0685, -0.0042, -0.0628], "mean": 0.0005, "spread": 0.1314}, "repeats_hs": {"runs": 3, "values": [0.4154, 0.5632, 0.442], "mean": 0.4735, "spread": 0.1478}, "at": 1787714252}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712216, "scored_at": 1787714252, "alerts": [], "rank": 2046}, {"candidate_id": "ODC-96404D", "res_at": 1789924297, "skeleton": "AEELEYMGCOSORN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.478, "axes": {"activity": 14.38, "binding": 15.87, "selectivity": 6.6, "admet": 5.55, "novelty": 3.68, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.463, "fraction": 0.479}, "binding": {"pIC50": 7.38, "LE": 0.404, "potency_term": 0.794, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.794}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.901, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.477, "ld50-zhu": 0.409, "herg": 0.332, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.462566075961512, "aff_pf": -1.3807140588760376, "aff_hs": -0.5486063460508982, "repeats_pf": {"runs": 3, "values": [-1.3626, -1.3933, -1.3862], "mean": -1.3807, "spread": 0.0307}, "repeats_hs": {"runs": 3, "values": [-0.39, -0.6125, -0.6433], "mean": -0.5486, "spread": 0.2533}, "at": 1789924297}, "tier": 1, "alerts": [], "total_sd": 0.533, "total_ci95": [48.579, 50.5], "relegate_reason": [], "submitted_at": 1789918785, "scored_at": 1789924297, "rank": 2047}, {"candidate_id": "ODC-6469E9", "res_at": 1787498517, "skeleton": "VXMZKIKNJFVYGD", "hf_user": "takutoyo", "display_name": "PfD15-29", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.447, "axes": {"activity": 20.14, "binding": 14.21, "selectivity": 6.28, "admet": 3.0, "novelty": 3.34, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.808, "fraction": 0.671}, "binding": {"pIC50": 7.2, "LE": 0.29, "potency_term": 0.735, "efficiency_cap": 0.968}, "selectivity": {"fold": 7.2, "selectivity_term": 0.427, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.441, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.359, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.622, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.53, "novelty": 0.47}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.808309245289839, "aff_pf": -1.2037270466486614, "aff_hs": -0.3489336371421814, "repeats_pf": {"runs": 3, "values": [-1.1985, -1.1156, -1.2972], "mean": -1.2037, "spread": 0.1816}, "repeats_hs": {"runs": 3, "values": [-0.3666, -0.4954, -0.1849], "mean": -0.3489, "spread": 0.3105}, "at": 1787498517}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491823, "scored_at": 1787498517, "alerts": [], "rank": 2048}, {"candidate_id": "ODC-729074", "res_at": 1787316376, "skeleton": "URGTXMHKUJMYJS", "hf_user": "takutoyo", "display_name": "PfD12-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 49.447, "axes": {"activity": 25.54, "binding": 9.26, "selectivity": 2.0, "admet": 3.9, "novelty": 5.81, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 6.132, "fraction": 0.851}, "binding": {"pIC50": 6.57, "LE": 0.265, "potency_term": 0.525, "efficiency_cap": 0.883}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.568, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 6.1324846735386505, "aff_pf": -0.5735617975393931, "aff_hs": -0.192134420077006, "repeats_pf": {"runs": 3, "values": [-0.6976, -0.6386, -0.3844], "mean": -0.5736, "spread": 0.3132}, "repeats_hs": {"runs": 3, "values": [-0.2772, -0.2958, -0.0033], "mean": -0.1921, "spread": 0.2925}, "at": 1787316376}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315657, "scored_at": 1787316376, "alerts": [], "rank": 2049}, {"candidate_id": "ODC-B9D034", "res_at": 1787626987, "skeleton": "VCUBYZXAPHPEKR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 49.447, "axes": {"activity": 15.17, "binding": 13.43, "selectivity": 8.99, "admet": 5.57, "novelty": 3.41, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 7.01, "LE": 0.384, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.822, "ld50-zhu": 0.441, "herg": 0.429, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.509962227484924, "aff_pf": -1.0147664546966553, "aff_hs": 0.32370410362879437, "repeats_pf": {"runs": 3, "values": [-0.9913, -0.9648, -1.0883], "mean": -1.0148, "spread": 0.1235}, "repeats_hs": {"runs": 3, "values": [0.3039, 0.3527, 0.3145], "mean": 0.3237, "spread": 0.0488}, "at": 1787626987}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621122, "scored_at": 1787626987, "alerts": [], "rank": 2050}, {"candidate_id": "ODC-118ED5", "res_at": 1786839680, "skeleton": "XSOHLGVBRYZATJ", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.439, "axes": {"activity": 13.19, "binding": 15.75, "selectivity": 9.85, "admet": 4.53, "novelty": 2.49, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.44}, "binding": {"pIC50": 7.36, "LE": 0.403, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.626, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.684, "novelty": 0.316}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "1", "pAct_q10": 5.391111282732207, "aff_pf": -1.3618022600809734, "aff_hs": -0.11032600700855255, "repeats_pf": {"runs": 3, "values": [-1.4179, -1.2705, -1.397], "mean": -1.3618, "spread": 0.1474}, "repeats_hs": {"runs": 3, "values": [-0.0157, -0.3042, -0.011], "mean": -0.1103, "spread": 0.2932}, "at": 1786839680}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805238, "scored_at": 1786839680, "alerts": [], "rank": 2051}, {"candidate_id": "ODC-8083CD", "res_at": 1787314429, "skeleton": "GBYOUMBMRXOYFH", "hf_user": "takutoyo", "display_name": "PfD12-01", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 49.436, "axes": {"activity": 25.94, "binding": 8.52, "selectivity": 3.55, "admet": 3.14, "novelty": 5.47, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 6.156, "fraction": 0.865}, "binding": {"pIC50": 6.47, "LE": 0.261, "potency_term": 0.49, "efficiency_cap": 0.869}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.49}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.288, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "3", "pAct_q10": 6.156306143342185, "aff_pf": -0.4704670508702596, "aff_hs": 0.2541671146949132, "repeats_pf": {"runs": 3, "values": [-0.6499, -0.4983, -0.2632], "mean": -0.4705, "spread": 0.3867}, "repeats_hs": {"runs": 3, "values": [0.419, -0.1462, 0.4898], "mean": 0.2542, "spread": 0.636}, "at": 1787314429}, "tier": 1, "relegate_reason": [], "submitted_at": 1787314237, "scored_at": 1787314429, "alerts": [], "rank": 2052}, {"candidate_id": "ODC-018BC3", "res_at": 1787622256, "skeleton": "WYNCAICIHCEAFS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)(··········)n2n1", "total": 49.431, "axes": {"activity": 16.23, "binding": 15.66, "selectivity": 6.61, "admet": 4.34, "novelty": 3.24, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.574, "fraction": 0.541}, "binding": {"pIC50": 7.35, "LE": 0.373, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.434, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.537, "herg": 0.068, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.5736891556500385, "aff_pf": -1.349360982577006, "aff_hs": -0.5052827994028727, "repeats_pf": {"runs": 3, "values": [-1.3861, -1.2848, -1.3771], "mean": -1.3494, "spread": 0.1013}, "repeats_hs": {"runs": 3, "values": [-0.5803, -0.5879, -0.3476], "mean": -0.5053, "spread": 0.2403}, "at": 1787622256}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620885, "scored_at": 1787622256, "alerts": [], "rank": 2053}, {"candidate_id": "ODC-59B6A9", "res_at": 1787032427, "skeleton": "PKRKFASJSXLGAU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········)cc1F", "total": 49.412, "axes": {"activity": 19.68, "binding": 14.93, "selectivity": 2.81, "admet": 5.33, "novelty": 3.33, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.781, "fraction": 0.656}, "binding": {"pIC50": 7.24, "LE": 0.413, "potency_term": 0.747, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.188, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.437, "herg": 0.363, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.780883663190907, "aff_pf": -1.2399301131566365, "aff_hs": -0.8633818030357361, "repeats_pf": {"runs": 3, "values": [-1.2088, -1.275, -1.236], "mean": -1.2399, "spread": 0.0661}, "repeats_hs": {"runs": 3, "values": [-0.571, -1.0134, -1.0057], "mean": -0.8634, "spread": 0.4424}, "at": 1787032427}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030780, "scored_at": 1787032427, "alerts": [], "rank": 2054}, {"candidate_id": "ODC-C6C4C3", "res_at": 1788158570, "skeleton": "WATWGPZZDZZJJJ", "hf_user": "Jaewonismyname", "display_name": "Antigravity_Opt", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········nc2n1", "total": 49.406, "axes": {"activity": 19.52, "binding": 11.85, "selectivity": 6.51, "admet": 4.95, "novelty": 4.05, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.771, "fraction": 0.651}, "binding": {"pIC50": 6.78, "LE": 0.357, "potency_term": 0.593, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.5, "selectivity_term": 0.549, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.655, "herg": 0.339, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.771485393250464, "aff_pf": -0.7775670886039734, "aff_hs": 0.3206736942132314, "repeats_pf": {"runs": 3, "values": [-0.776, -0.7713, -0.7854], "mean": -0.7776, "spread": 0.0141}, "repeats_hs": {"runs": 3, "values": [0.3578, 0.3368, 0.2675], "mean": 0.3207, "spread": 0.0902}, "at": 1788158570}, "tier": 1, "alerts": [], "total_sd": 0.143, "total_ci95": [49.152, 49.662], "relegate_reason": [], "submitted_at": 1788152327, "scored_at": 1788158570, "rank": 2055}, {"candidate_id": "ODC-EDB61D", "res_at": 1789900761, "skeleton": "KIEBUYOOZPACEX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 49.4, "axes": {"activity": 21.81, "binding": 12.4, "selectivity": 3.44, "admet": 4.09, "novelty": 4.81, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.909, "fraction": 0.727}, "binding": {"pIC50": 6.86, "LE": 0.324, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.068, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.9, "ld50-zhu": 0.682, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.908748781267393, "aff_pf": -0.8606575727462769, "aff_hs": -0.3060943086942037, "repeats_pf": {"runs": 3, "values": [-0.8758, -0.8384, -0.8678], "mean": -0.8607, "spread": 0.0373}, "repeats_hs": {"runs": 3, "values": [-0.2189, -0.3225, -0.3769], "mean": -0.3061, "spread": 0.158}, "at": 1789900761}, "tier": 1, "alerts": [], "total_sd": 0.274, "total_ci95": [48.892, 49.941], "relegate_reason": [], "submitted_at": 1789758187, "scored_at": 1789900761, "rank": 2056}, {"candidate_id": "ODC-D3B5FC", "res_at": 1787511460, "skeleton": "DCAYOPDIVPBMFE", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SUP01]", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········nc2n1", "total": 49.396, "axes": {"activity": 19.33, "binding": 12.77, "selectivity": 8.17, "admet": 3.17, "novelty": 3.32, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.76, "fraction": 0.644}, "binding": {"pIC50": 6.92, "LE": 0.306, "potency_term": 0.639, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.64, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.781, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.496, "ld50-zhu": 0.676, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.759515224816959, "aff_pf": -0.9156363010406494, "aff_hs": 0.36358534296353656, "repeats_pf": {"runs": 3, "values": [-0.8785, -0.9434, -0.925], "mean": -0.9156, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [0.2709, 0.5258, 0.294], "mean": 0.3636, "spread": 0.2549}, "at": 1787511460}, "tier": 1, "relegate_reason": [], "submitted_at": 1787511246, "scored_at": 1787511460, "alerts": [], "rank": 2057}, {"candidate_id": "ODC-65F02E", "res_at": 1786931823, "skeleton": "QEKMSCUHEZHTLZ", "hf_user": "choa712", "display_name": "LUCY-P06", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 49.393, "axes": {"activity": 20.83, "binding": 13.23, "selectivity": 4.43, "admet": 3.6, "novelty": 4.69, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.85, "fraction": 0.694}, "binding": {"pIC50": 6.98, "LE": 0.342, "potency_term": 0.662, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.535, "ld50-zhu": 0.81, "herg": 0.144, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.850018956784875, "aff_pf": -0.984674870967865, "aff_hs": -0.3152918467919032, "repeats_pf": {"runs": 3, "values": [-0.9826, -0.9392, -1.0322], "mean": -0.9847, "spread": 0.093}, "repeats_hs": {"runs": 3, "values": [-0.3382, -0.3643, -0.2433], "mean": -0.3153, "spread": 0.121}, "at": 1786931823}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925550, "scored_at": 1786931823, "alerts": [], "rank": 2058}, {"candidate_id": "ODC-33B7DC", "res_at": 1787378820, "skeleton": "RLOICIODVQKQQK", "hf_user": "1Dmeds", "display_name": "ODC26-G22", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········C1CC2", "total": 49.389, "axes": {"activity": 27.61, "binding": 8.84, "selectivity": 0.38, "admet": 4.0, "novelty": 6.32, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 6.257, "fraction": 0.92}, "binding": {"pIC50": 6.44, "LE": 0.276, "potency_term": 0.481, "efficiency_cap": 0.919}, "selectivity": {"fold": 1.2, "selectivity_term": 0.039, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.855, "herg": 0.05, "dili": 0.187}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 4.3}}, "run": {"gpu": "3", "pAct_q10": 6.256796639183808, "aff_pf": -0.44291430711746216, "aff_hs": -0.36448679367701214, "repeats_pf": {"runs": 3, "values": [-0.439, -0.4639, -0.4259], "mean": -0.4429, "spread": 0.038}, "repeats_hs": {"runs": 3, "values": [-0.3389, -0.3979, -0.3566], "mean": -0.3645, "spread": 0.0591}, "at": 1787378820}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372794, "scored_at": 1787378820, "alerts": [], "rank": 2059}, {"candidate_id": "ODC-C7E9F0", "res_at": 1788268137, "skeleton": "IOVMTHPPSATCGY", "hf_user": "Bio-JS", "display_name": "0901b-S1 옥세탄 x 팔 설폭시민", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.383, "axes": {"activity": 18.34, "binding": 13.37, "selectivity": 7.61, "admet": 2.9, "novelty": 4.54, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.701, "fraction": 0.611}, "binding": {"pIC50": 7.2, "LE": 0.274, "potency_term": 0.732, "efficiency_cap": 0.913}, "selectivity": {"fold": 10.9, "selectivity_term": 0.52, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.277, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.367, "herg": 0.05, "dili": 0.344}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.700604281027345, "aff_pf": -1.1966648896535237, "aff_hs": -0.15733227878808975, "repeats_pf": {"runs": 3, "values": [-1.2494, -1.1687, -1.1719], "mean": -1.1967, "spread": 0.0807}, "repeats_hs": {"runs": 3, "values": [-0.2404, -0.093, -0.1385], "mean": -0.1573, "spread": 0.1474}, "at": 1788268137}, "tier": 1, "alerts": [], "total_sd": 0.577, "total_ci95": [48.419, 50.7], "relegate_reason": [], "submitted_at": 1788264053, "scored_at": 1788268137, "rank": 2060}, {"candidate_id": "ODC-6A3008", "res_at": 1786889362, "skeleton": "IYWNUIKHMLSGQG", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.381, "axes": {"activity": 15.57, "binding": 13.01, "selectivity": 9.4, "admet": 4.59, "novelty": 4.23, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.534, "fraction": 0.519}, "binding": {"pIC50": 6.95, "LE": 0.397, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.9, "selectivity_term": 0.722, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.14, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.61, "herg": 0.733, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.534396913474426, "aff_pf": -0.9512259562810262, "aff_hs": 0.49372008442878723, "repeats_pf": {"runs": 3, "values": [-0.9222, -0.9521, -0.9794], "mean": -0.9512, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [0.4606, 0.4147, 0.6058], "mean": 0.4937, "spread": 0.1911}, "at": 1786889362}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875313, "scored_at": 1786889362, "alerts": [], "rank": 2061}, {"candidate_id": "ODC-646765", "res_at": 1787085765, "skeleton": "HNPKSTPNTBBBDH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 49.363, "axes": {"activity": 17.63, "binding": 15.42, "selectivity": 3.47, "admet": 5.67, "novelty": 4.7, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.658, "fraction": 0.588}, "binding": {"pIC50": 7.31, "LE": 0.358, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.384, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.837, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "2", "pAct_q10": 5.657719616622198, "aff_pf": -1.3137295643488567, "aff_hs": -0.863828202088674, "repeats_pf": {"runs": 3, "values": [-1.3137, -1.3012, -1.3263], "mean": -1.3137, "spread": 0.0251}, "repeats_hs": {"runs": 3, "values": [-0.9494, -0.8568, -0.7853], "mean": -0.8638, "spread": 0.1641}, "at": 1787085765}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074196, "scored_at": 1787085765, "alerts": [], "rank": 2062}, {"candidate_id": "ODC-35A285", "res_at": 1786902643, "skeleton": "FWYUORNYMFSFNS", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 49.362, "axes": {"activity": 15.61, "binding": 15.58, "selectivity": 6.2, "admet": 5.07, "novelty": 3.52, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.536, "fraction": 0.52}, "binding": {"pIC50": 7.34, "LE": 0.372, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.398, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.666, "ld50-zhu": 0.537, "herg": 0.134, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.5364523360416245, "aff_pf": -1.337140440940857, "aff_hs": -0.5410701831181844, "repeats_pf": {"runs": 3, "values": [-1.3455, -1.3671, -1.2989], "mean": -1.3371, "spread": 0.0682}, "repeats_hs": {"runs": 3, "values": [-0.5667, -0.5043, -0.5523], "mean": -0.5411, "spread": 0.0624}, "at": 1786902643}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890255, "scored_at": 1786902643, "alerts": [], "rank": 2063}, {"candidate_id": "ODC-7B576C", "res_at": 1788821202, "skeleton": "BLBDMVVSGZYJPJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SNIPER05]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 49.351, "axes": {"activity": 19.9, "binding": 9.28, "selectivity": 10.45, "admet": 2.53, "novelty": 4.3, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.663}, "binding": {"pIC50": 6.58, "LE": 0.265, "potency_term": 0.525, "efficiency_cap": 0.883}, "selectivity": {"fold": 97.6, "selectivity_term": 0.995, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.58, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.794156762624197, "aff_pf": -0.5761639277140299, "aff_hs": 1.4131876627604167, "repeats_pf": {"runs": 3, "values": [-0.4166, -0.9091, -0.4028], "mean": -0.5762, "spread": 0.5064}, "repeats_hs": {"runs": 3, "values": [1.481, 1.3608, 1.3978], "mean": 1.4132, "spread": 0.1202}, "at": 1788821202}, "tier": 1, "alerts": [], "total_sd": 2.14, "total_ci95": [46.046, 54.156], "relegate_reason": [], "submitted_at": 1788786156, "scored_at": 1788821202, "rank": 2064}, {"candidate_id": "ODC-00178B", "res_at": 1788966843, "skeleton": "AXAGFGWYTZQYCO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.349, "axes": {"activity": 14.87, "binding": 15.48, "selectivity": 8.0, "admet": 4.72, "novelty": 2.9, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.496}, "binding": {"pIC50": 7.32, "LE": 0.401, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.705, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.657, "herg": 0.076, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.492255801119563, "aff_pf": -1.3226783275604248, "aff_hs": -0.28906869888305664, "repeats_pf": {"runs": 3, "values": [-1.3546, -1.311, -1.3024], "mean": -1.3227, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [-0.2408, -0.2609, -0.3655], "mean": -0.2891, "spread": 0.1247}, "at": 1788966843}, "tier": 1, "alerts": [], "total_sd": 0.383, "total_ci95": [48.637, 50.119], "relegate_reason": [], "submitted_at": 1788963711, "scored_at": 1788966843, "rank": 2065}, {"candidate_id": "ODC-88F4ED", "res_at": 1786860297, "skeleton": "ZZZFCBLZYCNIEQ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.324, "axes": {"activity": 13.81, "binding": 14.6, "selectivity": 6.93, "admet": 6.6, "novelty": 4.43, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.429, "fraction": 0.46}, "binding": {"pIC50": 7.19, "LE": 0.41, "potency_term": 0.73, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.73}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.999, "cyp3a4-substrate-carbonmangels": 0.49, "ld50-zhu": 0.534, "herg": 0.804, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.428665278565832, "aff_pf": -1.1899679899215698, "aff_hs": -0.2401825189590454, "repeats_pf": {"runs": 3, "values": [-1.2729, -1.1101, -1.1869], "mean": -1.19, "spread": 0.1629}, "repeats_hs": {"runs": 3, "values": [-0.2681, -0.1806, -0.2719], "mean": -0.2402, "spread": 0.0913}, "at": 1786860297}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852383, "scored_at": 1786860297, "alerts": [], "rank": 2066}, {"candidate_id": "ODC-74F578", "res_at": 1789919787, "skeleton": "QONXGOZKDOOASS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 49.324, "axes": {"activity": 18.42, "binding": 15.22, "selectivity": 2.58, "admet": 5.72, "novelty": 4.12, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.705, "fraction": 0.614}, "binding": {"pIC50": 7.28, "LE": 0.399, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.169, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.448, "herg": 0.454, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.705424526222117, "aff_pf": -1.2836586236953735, "aff_hs": -0.9453521768252054, "repeats_pf": {"runs": 3, "values": [-1.1941, -1.2109, -1.446], "mean": -1.2837, "spread": 0.2519}, "repeats_hs": {"runs": 3, "values": [-1.0788, -0.8597, -0.8975], "mean": -0.9454, "spread": 0.2191}, "at": 1789919787}, "tier": 1, "alerts": [], "total_sd": 1.445, "total_ci95": [47.037, 52.352], "relegate_reason": [], "submitted_at": 1789758076, "scored_at": 1789919787, "rank": 2067}, {"candidate_id": "ODC-1A6E38", "res_at": 1786868826, "skeleton": "QWKSATKWAMTOIX", "hf_user": "ALEX32321", "display_name": "ALEXAI-ATTACK-09", "model_name": "OpenCrab-ALEXAI attack panel v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.321, "axes": {"activity": 15.06, "binding": 14.4, "selectivity": 8.09, "admet": 5.04, "novelty": 3.4, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 7.16, "LE": 0.392, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.91, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.776, "ld50-zhu": 0.472, "herg": 0.134, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.503472589479292, "aff_pf": -1.1600484450658162, "aff_hs": -0.03699768086274465, "repeats_pf": {"runs": 3, "values": [-1.1977, -1.0388, -1.2436], "mean": -1.16, "spread": 0.2048}, "repeats_hs": {"runs": 3, "values": [-0.0354, -0.0328, -0.0427], "mean": -0.037, "spread": 0.0099}, "at": 1786868826}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863639, "scored_at": 1786868826, "alerts": [], "rank": 2068}, {"candidate_id": "ODC-781EC7", "res_at": 1787557919, "skeleton": "PLJXJRFFCSMVRA", "hf_user": "takutoyo", "display_name": "PfD16-06", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 49.317, "axes": {"activity": 23.87, "binding": 9.86, "selectivity": 4.34, "admet": 3.61, "novelty": 4.71, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 6.032, "fraction": 0.796}, "binding": {"pIC50": 6.66, "LE": 0.268, "potency_term": 0.552, "efficiency_cap": 0.894}, "selectivity": {"fold": 6.1, "selectivity_term": 0.393, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.507, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.486, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.509, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 6.032182803970342, "aff_pf": -0.6552547415097555, "aff_hs": 0.13050141682227454, "repeats_pf": {"runs": 3, "values": [-0.6434, -0.6693, -0.6531], "mean": -0.6553, "spread": 0.0259}, "repeats_hs": {"runs": 3, "values": [0.004, 0.3384, 0.0491], "mean": 0.1305, "spread": 0.3344}, "at": 1787557919}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544062, "scored_at": 1787557919, "alerts": [], "rank": 2069}, {"candidate_id": "ODC-75BEED", "res_at": 1789316187, "skeleton": "OKBAFRQDJYSPSA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.301, "axes": {"activity": 12.18, "binding": 15.66, "selectivity": 9.04, "admet": 5.27, "novelty": 3.71, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 7.35, "LE": 0.373, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.577, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.609, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.330860898516203, "aff_pf": -1.3494822184244792, "aff_hs": -0.19570411245028177, "repeats_pf": {"runs": 3, "values": [-1.3694, -1.4027, -1.2764], "mean": -1.3495, "spread": 0.1263}, "repeats_hs": {"runs": 3, "values": [-0.2248, -0.1527, -0.2097], "mean": -0.1957, "spread": 0.0721}, "at": 1789316187}, "tier": 1, "alerts": [], "total_sd": 0.712, "total_ci95": [47.774, 50.454], "relegate_reason": [], "submitted_at": 1789311499, "scored_at": 1789316187, "rank": 2070}, {"candidate_id": "ODC-832218", "res_at": 1787874317, "skeleton": "XYCDJUQMHUZGST", "hf_user": "Bio-JS", "display_name": "4원설폰팔 x N-아세틸피롤리딘 (5원)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 49.298, "axes": {"activity": 18.0, "binding": 12.47, "selectivity": 9.89, "admet": 2.5, "novelty": 4.34, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.68, "fraction": 0.6}, "binding": {"pIC50": 7.21, "LE": 0.253, "potency_term": 0.738, "efficiency_cap": 0.845}, "selectivity": {"fold": 21.9, "selectivity_term": 0.67, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.241, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.802, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "0", "pAct_q10": 5.67977046455284, "aff_pf": -1.2138689359029133, "aff_hs": 0.12595989058415094, "repeats_pf": {"runs": 3, "values": [-1.2861, -1.1627, -1.1927], "mean": -1.2139, "spread": 0.1234}, "repeats_hs": {"runs": 3, "values": [0.0789, 0.2243, 0.0746], "mean": 0.126, "spread": 0.1497}, "at": 1787874317}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813282, "scored_at": 1787874317, "alerts": [], "rank": 2071}, {"candidate_id": "ODC-E4C084", "res_at": 1787526202, "skeleton": "SPGXRLJOUBSNRO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 49.298, "axes": {"activity": 21.01, "binding": 13.0, "selectivity": 4.71, "admet": 3.4, "novelty": 4.32, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.86, "fraction": 0.7}, "binding": {"pIC50": 6.95, "LE": 0.353, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.363, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.695, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.13, "ld50-zhu": 0.599, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.860349886082651, "aff_pf": -0.9494129419326782, "aff_hs": -0.2239121769865354, "repeats_pf": {"runs": 3, "values": [-1.0154, -0.8184, -1.0145], "mean": -0.9494, "spread": 0.197}, "repeats_hs": {"runs": 3, "values": [0.1029, -0.1403, -0.6343], "mean": -0.2239, "spread": 0.7373}, "at": 1787526202}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520674, "scored_at": 1787526202, "alerts": [], "rank": 2072}, {"candidate_id": "ODC-DAAE59", "res_at": 1789402694, "skeleton": "JEPRHNNMAZMXAC", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.296, "axes": {"activity": 15.15, "binding": 14.37, "selectivity": 8.85, "admet": 3.48, "novelty": 4.5, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.509, "fraction": 0.505}, "binding": {"pIC50": 7.16, "LE": 0.377, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.616, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.141, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.423, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.169, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.508806387482529, "aff_pf": -1.1556926170984905, "aff_hs": 0.0755055050055186, "repeats_pf": {"runs": 3, "values": [-1.1654, -1.2036, -1.098], "mean": -1.1557, "spread": 0.1056}, "repeats_hs": {"runs": 3, "values": [0.1383, 0.082, 0.0062], "mean": 0.0755, "spread": 0.1321}, "at": 1789402694}, "tier": 1, "alerts": [], "total_sd": 0.597, "total_ci95": [48.287, 50.432], "relegate_reason": [], "submitted_at": 1789402245, "scored_at": 1789402694, "rank": 2073}, {"candidate_id": "ODC-85EF72", "res_at": 1788544244, "skeleton": "NINAEBHTQNMYRF", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.295, "axes": {"activity": 13.82, "binding": 14.32, "selectivity": 10.04, "admet": 5.25, "novelty": 2.6, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.429, "fraction": 0.461}, "binding": {"pIC50": 7.15, "LE": 0.408, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.2, "selectivity_term": 0.701, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.194, "ld50-zhu": 0.532, "herg": 0.608, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.429236364384931, "aff_pf": -1.1487167676289876, "aff_hs": 0.2533385356267293, "repeats_pf": {"runs": 3, "values": [-1.1778, -1.1512, -1.1171], "mean": -1.1487, "spread": 0.0607}, "repeats_hs": {"runs": 3, "values": [0.2168, 0.2835, 0.2597], "mean": 0.2533, "spread": 0.0668}, "at": 1788544244}, "tier": 1, "alerts": [], "total_sd": 0.364, "total_ci95": [48.595, 50.044], "relegate_reason": [], "submitted_at": 1788495730, "scored_at": 1788544244, "rank": 2074}, {"candidate_id": "ODC-F18579", "res_at": 1786925901, "skeleton": "YJOBDUUDAWUPEK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 49.289, "axes": {"activity": 15.09, "binding": 13.2, "selectivity": 10.78, "admet": 4.48, "novelty": 2.98, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 6.98, "LE": 0.398, "potency_term": 0.66, "efficiency_cap": 1.0}, "selectivity": {"fold": 43.0, "selectivity_term": 0.817, "target_engagement": 0.66}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.363, "herg": 0.725, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.5052929783324895, "aff_pf": -0.9796855648358663, "aff_hs": 0.6537721355756124, "repeats_pf": {"runs": 3, "values": [-0.9521, -0.984, -1.0029], "mean": -0.9797, "spread": 0.0507}, "repeats_hs": {"runs": 3, "values": [0.6812, 0.6909, 0.5892], "mean": 0.6538, "spread": 0.1017}, "at": 1786925901}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923238, "scored_at": 1786925901, "alerts": [], "rank": 2075}, {"candidate_id": "ODC-801626", "res_at": 1787417166, "skeleton": "DGZVMVAXLKMKGR", "hf_user": "1Dmeds", "display_name": "ODC26-W1", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 49.282, "axes": {"activity": 24.62, "binding": 7.97, "selectivity": 4.78, "admet": 2.91, "novelty": 5.67, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 6.077, "fraction": 0.821}, "binding": {"pIC50": 6.43, "LE": 0.252, "potency_term": 0.475, "efficiency_cap": 0.838}, "selectivity": {"fold": 10.1, "selectivity_term": 0.503, "target_engagement": 0.475}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.627, "herg": 0.153, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.0769722863036915, "aff_pf": -0.4261821508407593, "aff_hs": 0.5802029967308044, "repeats_pf": {"runs": 3, "values": [-0.4146, -0.433, -0.431], "mean": -0.4262, "spread": 0.0184}, "repeats_hs": {"runs": 3, "values": [0.5707, 0.4633, 0.7066], "mean": 0.5802, "spread": 0.2433}, "at": 1787417166}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412234, "scored_at": 1787417166, "alerts": [], "rank": 2076}, {"candidate_id": "ODC-73AD9B", "res_at": 1786942725, "skeleton": "QNKWOZFNTODFNT", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 49.281, "axes": {"activity": 10.67, "binding": 13.42, "selectivity": 13.42, "admet": 4.82, "novelty": 4.27, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.24, "fraction": 0.356}, "binding": {"pIC50": 7.01, "LE": 0.4, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 101.3, "selectivity_term": 1.0, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.36, "ld50-zhu": 0.72, "herg": 0.485, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.240202028961263, "aff_pf": -1.0135922034581502, "aff_hs": 0.9919000864028931, "repeats_pf": {"runs": 3, "values": [-1.1045, -0.9772, -0.9591], "mean": -1.0136, "spread": 0.1454}, "repeats_hs": {"runs": 3, "values": [1.0371, 1.072, 0.8666], "mean": 0.9919, "spread": 0.2054}, "at": 1786942725}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933570, "scored_at": 1786942725, "alerts": [], "rank": 2077}, {"candidate_id": "ODC-9F4B3F", "res_at": 1789990517, "skeleton": "YVXIQKNMJATEMG", "hf_user": "Bio-JS", "display_name": "0921-S1-02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.271, "axes": {"activity": 17.04, "binding": 12.64, "selectivity": 8.09, "admet": 4.77, "novelty": 4.09, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 6.9, "LE": 0.378, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.64, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.617, "cyp3a4-substrate-carbonmangels": 0.51, "ld50-zhu": 0.444, "herg": 0.326, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.6226486375507285, "aff_pf": -0.8958333333333334, "aff_hs": 0.38387588659922284, "repeats_pf": {"runs": 3, "values": [-0.857, -0.8784, -0.9521], "mean": -0.8958, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [0.3093, 0.4569, 0.3855], "mean": 0.3839, "spread": 0.1476}, "at": 1789990517}, "tier": 1, "alerts": [], "total_sd": 0.601, "total_ci95": [48.223, 50.438], "relegate_reason": [], "submitted_at": 1789989685, "scored_at": 1789990517, "rank": 2078}, {"candidate_id": "ODC-B7BADD", "res_at": 1789524934, "skeleton": "XCOKOEKIALNLHA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.255, "axes": {"activity": 9.07, "binding": 18.66, "selectivity": 8.15, "admet": 4.69, "novelty": 4.82, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.144, "fraction": 0.302}, "binding": {"pIC50": 7.8, "LE": 0.445, "potency_term": 0.933, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.437, "target_engagement": 0.933}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.737, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.635, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.144384481429824, "aff_pf": -1.7982964515686035, "aff_hs": -0.925037165482839, "repeats_pf": {"runs": 3, "values": [-1.8232, -1.6999, -1.8718], "mean": -1.7983, "spread": 0.1718}, "repeats_hs": {"runs": 3, "values": [-0.941, -0.9152, -0.9189], "mean": -0.925, "spread": 0.0258}, "at": 1789524934}, "tier": 1, "alerts": [], "total_sd": 0.954, "total_ci95": [47.034, 50.717], "relegate_reason": [], "submitted_at": 1789524365, "scored_at": 1789524934, "rank": 2079}, {"candidate_id": "ODC-CAADC4", "res_at": 1786819466, "skeleton": "DPCLSFAAMYAUOO", "hf_user": "ipsych", "display_name": "TPS-SCF3-4Cl3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.25, "axes": {"activity": 12.01, "binding": 15.14, "selectivity": 10.05, "admet": 5.5, "novelty": 3.11, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 7.27, "LE": 0.415, "potency_term": 0.757, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.3, "selectivity_term": 0.664, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.526, "herg": 0.489, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.320764795449956, "aff_pf": -1.270265261332194, "aff_hs": 0.05795286099116007, "repeats_pf": {"runs": 3, "values": [-1.2495, -1.306, -1.2552], "mean": -1.2703, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [0.059, 0.0355, 0.0793], "mean": 0.058, "spread": 0.0437}, "at": 1786819466}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789750, "scored_at": 1786819466, "alerts": [], "rank": 2080}, {"candidate_id": "ODC-F7D909", "res_at": 1786946612, "skeleton": "YWEAETZLZNKPQX", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.238, "axes": {"activity": 18.83, "binding": 13.99, "selectivity": 4.93, "admet": 4.12, "novelty": 4.3, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.73, "fraction": 0.628}, "binding": {"pIC50": 7.1, "LE": 0.389, "potency_term": 0.7, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.828, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.804, "ld50-zhu": 0.58, "herg": 0.055, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.72961715246262, "aff_pf": -1.0986937284469604, "aff_hs": -0.3944202959537506, "repeats_pf": {"runs": 3, "values": [-1.0701, -1.1069, -1.119], "mean": -1.0987, "spread": 0.049}, "repeats_hs": {"runs": 3, "values": [-0.409, -0.4238, -0.3504], "mean": -0.3944, "spread": 0.0733}, "at": 1786946612}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934302, "scored_at": 1786946612, "alerts": [], "rank": 2081}, {"candidate_id": "ODC-CBA6A9", "res_at": 1787118864, "skeleton": "MEXDYPCIQDVAAL", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 49.237, "axes": {"activity": 28.12, "binding": 3.39, "selectivity": 2.3, "admet": 5.01, "novelty": 6.81, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.287, "fraction": 0.937}, "binding": {"pIC50": 5.68, "LE": 0.223, "potency_term": 0.228, "efficiency_cap": 0.742}, "selectivity": {"fold": 10.1, "selectivity_term": 0.503, "target_engagement": 0.228}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.341, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.496, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.287374908092576, "aff_pf": 0.31536608437697095, "aff_hs": 1.3210322856903076, "repeats_pf": {"runs": 3, "values": [0.9056, 0.1975, -0.157], "mean": 0.3154, "spread": 1.0627}, "repeats_hs": {"runs": 3, "values": [1.1354, 1.4707, 1.357], "mean": 1.321, "spread": 0.3353}, "at": 1787118864}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101128, "scored_at": 1787118864, "alerts": [], "rank": 2082}, {"candidate_id": "ODC-5950A5", "res_at": 1787871671, "skeleton": "DAPBTWHUJZQMQN", "hf_user": "Ku-ku", "display_name": "KK-M-0827-N8", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cc··········)nn12", "total": 49.236, "axes": {"activity": 25.18, "binding": 9.78, "selectivity": 0.0, "admet": 4.55, "novelty": 6.49, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 6.111, "fraction": 0.839}, "binding": {"pIC50": 6.47, "LE": 0.341, "potency_term": 0.489, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.489}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.731, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 6.110986646179342, "aff_pf": -0.4675440490245819, "aff_hs": -1.5724217891693115, "repeats_pf": {"runs": 3, "values": [-0.4848, -0.4444, -0.4734], "mean": -0.4675, "spread": 0.0405}, "repeats_hs": {"runs": 3, "values": [-1.5394, -1.6156, -1.5623], "mean": -1.5724, "spread": 0.0762}, "at": 1787840057}, "tier": 1, "relegate_reason": [], "submitted_at": 1787784264, "scored_at": 1787840057, "alerts": [], "rank": 2083}, {"candidate_id": "ODC-EC300E", "res_at": 1786862980, "skeleton": "JUQDWMNULRBDLR", "hf_user": "choa712", "display_name": "CODEX-R2-04", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)c1Br", "total": 49.233, "axes": {"activity": 12.94, "binding": 15.0, "selectivity": 9.72, "admet": 4.76, "novelty": 3.35, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 7.25, "LE": 0.432, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.545, "herg": 0.056, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.376181919122696, "aff_pf": -1.2506496508916218, "aff_hs": 0.045192589362462364, "repeats_pf": {"runs": 3, "values": [-1.2886, -1.2267, -1.2366], "mean": -1.2506, "spread": 0.062}, "repeats_hs": {"runs": 3, "values": [0.0516, 0.0012, 0.0827], "mean": 0.0452, "spread": 0.0815}, "at": 1786862980}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855457, "scored_at": 1786862980, "alerts": [], "rank": 2084}, {"candidate_id": "ODC-DDF0AC", "res_at": 1786970438, "skeleton": "NFHFEODORJTEFU", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1nc··········)n2n1", "total": 49.224, "axes": {"activity": 16.71, "binding": 13.32, "selectivity": 7.56, "admet": 5.21, "novelty": 3.61, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 7.0, "LE": 0.4, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.689, "ld50-zhu": 0.506, "herg": 0.524, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.602794203403383, "aff_pf": -0.998559832572937, "aff_hs": 0.1368443469206492, "repeats_pf": {"runs": 3, "values": [-1.0121, -0.964, -1.0196], "mean": -0.9986, "spread": 0.0556}, "repeats_hs": {"runs": 3, "values": [0.1937, 0.1384, 0.0784], "mean": 0.1368, "spread": 0.1153}, "at": 1786970438}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968983, "scored_at": 1786970438, "alerts": [], "rank": 2085}, {"candidate_id": "ODC-1F99B3", "res_at": 1786939794, "skeleton": "AVGKJSLBWJFXLX", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 49.202, "axes": {"activity": 19.06, "binding": 13.96, "selectivity": 5.5, "admet": 3.48, "novelty": 4.08, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.743, "fraction": 0.635}, "binding": {"pIC50": 7.09, "LE": 0.374, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.825, "ld50-zhu": 0.596, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.743329307888086, "aff_pf": -1.0943577885627747, "aff_hs": -0.30648917704820633, "repeats_pf": {"runs": 3, "values": [-1.2087, -0.8883, -1.1861], "mean": -1.0944, "spread": 0.3204}, "repeats_hs": {"runs": 3, "values": [-0.4316, -0.3888, -0.099], "mean": -0.3065, "spread": 0.3326}, "at": 1786939794}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934252, "scored_at": 1786939794, "alerts": [], "rank": 2086}, {"candidate_id": "ODC-1EF332", "res_at": 1788152466, "skeleton": "FETSDLJNNWRXDV", "hf_user": "Bio-JS", "display_name": "R1 링커 O 복제 (아닐린 3-Cl 섀시)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········nc2n1", "total": 49.193, "axes": {"activity": 21.19, "binding": 8.43, "selectivity": 7.55, "admet": 4.23, "novelty": 4.67, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.872, "fraction": 0.706}, "binding": {"pIC50": 6.27, "LE": 0.373, "potency_term": 0.422, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.6, "selectivity_term": 0.895, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.417, "herg": 0.733, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.8715980299195945, "aff_pf": -0.265178715189298, "aff_hs": 1.5247443517049153, "repeats_pf": {"runs": 3, "values": [-0.2554, -0.1502, -0.39], "mean": -0.2652, "spread": 0.2398}, "repeats_hs": {"runs": 3, "values": [1.5412, 1.5443, 1.4888], "mean": 1.5247, "spread": 0.0555}, "at": 1788152466}, "tier": 1, "alerts": [], "total_sd": 0.882, "total_ci95": [47.374, 51.343], "relegate_reason": [], "submitted_at": 1788139416, "scored_at": 1788152466, "rank": 2087}, {"candidate_id": "ODC-E90EEE", "res_at": 1789389107, "skeleton": "OBHVNDSJOLARSY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.19, "axes": {"activity": 14.57, "binding": 15.64, "selectivity": 6.71, "admet": 4.78, "novelty": 4.4, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 7.35, "LE": 0.387, "potency_term": 0.782, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.793, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.935, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.47420236415718, "aff_pf": -1.3465054432551067, "aff_hs": -0.48808926343917847, "repeats_pf": {"runs": 3, "values": [-1.3341, -1.331, -1.3744], "mean": -1.3465, "spread": 0.0433}, "repeats_hs": {"runs": 3, "values": [-0.4726, -0.4554, -0.5363], "mean": -0.4881, "spread": 0.0809}, "at": 1789389107}, "tier": 1, "alerts": [], "total_sd": 0.308, "total_ci95": [48.654, 49.774], "relegate_reason": [], "submitted_at": 1789388905, "scored_at": 1789389107, "rank": 2088}, {"candidate_id": "ODC-D7757E", "res_at": 1789916385, "skeleton": "CLKGPRIQRIZAJG", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 49.186, "axes": {"activity": 12.89, "binding": 16.35, "selectivity": 6.19, "admet": 5.93, "novelty": 4.56, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.818, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.378, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.545, "herg": 0.435, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.373641288818196, "aff_pf": -1.4527455965677898, "aff_hs": -0.6960189739863077, "repeats_pf": {"runs": 3, "values": [-1.3771, -1.5206, -1.4606], "mean": -1.4527, "spread": 0.1435}, "repeats_hs": {"runs": 3, "values": [-0.7008, -0.7812, -0.606], "mean": -0.696, "spread": 0.1751}, "at": 1789916385}, "tier": 1, "alerts": [], "total_sd": 0.888, "total_ci95": [47.217, 51.043], "relegate_reason": [], "submitted_at": 1789889254, "scored_at": 1789916385, "rank": 2089}, {"candidate_id": "ODC-07EE93", "res_at": 1786983820, "skeleton": "LBCHCLHDRXDIHL", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-18", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.181, "axes": {"activity": 12.5, "binding": 13.63, "selectivity": 12.3, "admet": 4.09, "novelty": 3.7, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.35, "fraction": 0.417}, "binding": {"pIC50": 7.04, "LE": 0.439, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.8, "selectivity_term": 0.902, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.417, "herg": 0.255, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.350002904437347, "aff_pf": -1.0448780059814453, "aff_hs": 0.7599137425422668, "repeats_pf": {"runs": 3, "values": [-1.0582, -1.0759, -1.0005], "mean": -1.0449, "spread": 0.0755}, "repeats_hs": {"runs": 3, "values": [0.6941, 0.7793, 0.8064], "mean": 0.7599, "spread": 0.1123}, "at": 1786983820}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979604, "scored_at": 1786983820, "alerts": [], "rank": 2090}, {"candidate_id": "ODC-DC661C", "res_at": 1787626286, "skeleton": "SKBDRLFBXVYCRX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 49.179, "axes": {"activity": 14.26, "binding": 13.34, "selectivity": 11.01, "admet": 3.62, "novelty": 4.17, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 7.0, "LE": 0.369, "potency_term": 0.667, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.7, "selectivity_term": 0.825, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.252, "cyp3a4-substrate-carbonmangels": 0.1, "ld50-zhu": 0.404, "herg": 0.214, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.455866574152275, "aff_pf": -1.0010063449541728, "aff_hs": 0.6492318511009216, "repeats_pf": {"runs": 3, "values": [-0.9857, -1.1023, -0.9151], "mean": -1.001, "spread": 0.1872}, "repeats_hs": {"runs": 3, "values": [0.668, 0.6378, 0.6418], "mean": 0.6492, "spread": 0.0302}, "at": 1787626286}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621067, "scored_at": 1787626286, "alerts": [], "rank": 2091}, {"candidate_id": "ODC-0DE5A4", "res_at": 1789390011, "skeleton": "BLEASKVVPGBFJL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 49.166, "axes": {"activity": 18.7, "binding": 14.38, "selectivity": 5.08, "admet": 3.88, "novelty": 4.29, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.722, "fraction": 0.623}, "binding": {"pIC50": 7.16, "LE": 0.392, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.353, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.939, "ld50-zhu": 0.467, "herg": 0.418, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.721864802709567, "aff_pf": -1.1571160554885864, "aff_hs": -0.45128001769383747, "repeats_pf": {"runs": 3, "values": [-1.4515, -1.0366, -0.9833], "mean": -1.1571, "spread": 0.4682}, "repeats_hs": {"runs": 3, "values": [-0.4506, -0.5212, -0.382], "mean": -0.4513, "spread": 0.1392}, "at": 1789390011}, "tier": 1, "alerts": [], "total_sd": 2.596, "total_ci95": [45.612, 55.73], "relegate_reason": [], "submitted_at": 1789389119, "scored_at": 1789390011, "rank": 2092}, {"candidate_id": "ODC-F6161F", "res_at": 1789267734, "skeleton": "SVHXYCQSYKBTNX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 49.16, "axes": {"activity": 16.32, "binding": 13.21, "selectivity": 9.1, "admet": 4.39, "novelty": 3.2, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 6.98, "LE": 0.368, "potency_term": 0.661, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.9, "selectivity_term": 0.689, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.508, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.435, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.515, "novelty": 0.485}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.579225829300604, "aff_pf": -0.9816975593566895, "aff_hs": 0.3964873254299164, "repeats_pf": {"runs": 3, "values": [-1.0513, -0.964, -0.9297], "mean": -0.9817, "spread": 0.1216}, "repeats_hs": {"runs": 3, "values": [0.2726, 0.4679, 0.449], "mean": 0.3965, "spread": 0.1953}, "at": 1789267734}, "tier": 1, "alerts": [], "total_sd": 0.738, "total_ci95": [47.804, 50.543], "relegate_reason": [], "submitted_at": 1789263592, "scored_at": 1789267734, "rank": 2093}, {"candidate_id": "ODC-DCFD5D", "res_at": 1787084660, "skeleton": "SSVWPFQANZYONO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.157, "axes": {"activity": 13.49, "binding": 13.92, "selectivity": 9.64, "admet": 4.83, "novelty": 4.43, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 7.09, "LE": 0.422, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.3, "selectivity_term": 0.692, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.993, "cyp2c9-veith": 0.408, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.424, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.409212929826758, "aff_pf": -1.0880016088485718, "aff_hs": 0.2967806855837504, "repeats_pf": {"runs": 3, "values": [-1.0692, -1.0983, -1.0965], "mean": -1.088, "spread": 0.029}, "repeats_hs": {"runs": 3, "values": [0.2954, 0.3074, 0.2876], "mean": 0.2968, "spread": 0.0199}, "at": 1787084660}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074043, "scored_at": 1787084660, "alerts": [], "rank": 2094}, {"candidate_id": "ODC-345BDA", "res_at": 1788191299, "skeleton": "NRENFJRSOKEDGI", "hf_user": "Ku-ku", "display_name": "KK-M-0831-462", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 49.156, "axes": {"activity": 15.53, "binding": 12.12, "selectivity": 12.12, "admet": 3.4, "novelty": 4.15, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 6.82, "LE": 0.346, "potency_term": 0.606, "efficiency_cap": 1.0}, "selectivity": {"fold": 111.7, "selectivity_term": 1.0, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.592, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.842, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.196, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.532032412469827, "aff_pf": -0.818418006102244, "aff_hs": 1.2295964161554973, "repeats_pf": {"runs": 3, "values": [-0.8063, -0.8009, -0.8481], "mean": -0.8184, "spread": 0.0472}, "repeats_hs": {"runs": 3, "values": [1.2215, 1.2382, 1.2291], "mean": 1.2296, "spread": 0.0167}, "at": 1788191299}, "tier": 1, "alerts": [], "total_sd": 0.219, "total_ci95": [48.833, 49.705], "relegate_reason": [], "submitted_at": 1788186861, "scored_at": 1788191299, "rank": 2095}, {"candidate_id": "ODC-B5E69F", "res_at": 1789003679, "skeleton": "LHOYPEWLATXILA", "hf_user": "Bio-JS", "display_name": "0910b-S1-06", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 49.156, "axes": {"activity": 8.98, "binding": 14.8, "selectivity": 12.77, "admet": 6.45, "novelty": 2.96, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.139, "fraction": 0.299}, "binding": {"pIC50": 7.22, "LE": 0.412, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.2, "selectivity_term": 0.863, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.353, "ld50-zhu": 0.286, "herg": 0.879, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.1390615521653915, "aff_pf": -1.2195636828740437, "aff_hs": 0.506077229976654, "repeats_pf": {"runs": 3, "values": [-1.2183, -1.1919, -1.2485], "mean": -1.2196, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [0.5028, 0.5218, 0.4936], "mean": 0.5061, "spread": 0.0282}, "at": 1789003679}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [48.5, 49.897], "relegate_reason": [], "submitted_at": 1789001563, "scored_at": 1789003679, "rank": 2096}, {"candidate_id": "ODC-94D357", "res_at": 1788770027, "skeleton": "FSBGTNIAKYMYFV", "hf_user": "Bio-JS", "display_name": "0906-S1-16 SCF3/F/R6-H/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 49.147, "axes": {"activity": 11.0, "binding": 16.86, "selectivity": 7.31, "admet": 5.75, "novelty": 4.87, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.26, "fraction": 0.367}, "binding": {"pIC50": 7.53, "LE": 0.397, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.735, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.259755729880757, "aff_pf": -1.529390017191569, "aff_hs": -0.6620936393737793, "repeats_pf": {"runs": 3, "values": [-1.4952, -1.6212, -1.4718], "mean": -1.5294, "spread": 0.1494}, "repeats_hs": {"runs": 3, "values": [-0.6033, -0.6132, -0.7698], "mean": -0.6621, "spread": 0.1665}, "at": 1788770027}, "tier": 1, "alerts": [], "total_sd": 0.973, "total_ci95": [47.526, 51.305], "relegate_reason": [], "submitted_at": 1788666001, "scored_at": 1788770027, "rank": 2097}, {"candidate_id": "ODC-EEDD61", "res_at": 1789268126, "skeleton": "XIFFIMWAVLUEOM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 49.144, "axes": {"activity": 15.35, "binding": 14.55, "selectivity": 7.17, "admet": 4.89, "novelty": 3.86, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 7.18, "LE": 0.378, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.499, "herg": 0.203, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.521289401911009, "aff_pf": -1.1820924679438274, "aff_hs": -0.19581660628318787, "repeats_pf": {"runs": 3, "values": [-1.1439, -1.261, -1.1414], "mean": -1.1821, "spread": 0.1195}, "repeats_hs": {"runs": 3, "values": [-0.0738, -0.322, -0.1916], "mean": -0.1958, "spread": 0.2482}, "at": 1789268126}, "tier": 1, "alerts": [], "total_sd": 0.852, "total_ci95": [47.67, 50.96], "relegate_reason": [], "submitted_at": 1789263678, "scored_at": 1789268126, "rank": 2098}, {"candidate_id": "ODC-CC0473", "res_at": 1788775530, "skeleton": "YBYHNWZKIYXEKF", "hf_user": "Bio-JS", "display_name": "0906-S1-25 SCHF2/CN/R6-Me/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 49.143, "axes": {"activity": 20.5, "binding": 11.26, "selectivity": 5.97, "admet": 3.84, "novelty": 4.75, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.83, "fraction": 0.683}, "binding": {"pIC50": 6.69, "LE": 0.367, "potency_term": 0.563, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.166, "ld50-zhu": 0.404, "herg": 0.716, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.830028204074564, "aff_pf": -0.6884324351946512, "aff_hs": 0.3727624813715617, "repeats_pf": {"runs": 3, "values": [-0.6366, -0.6916, -0.7371], "mean": -0.6884, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [0.3742, 0.4337, 0.3104], "mean": 0.3728, "spread": 0.1233}, "at": 1788775530}, "tier": 1, "alerts": [], "total_sd": 0.422, "total_ci95": [48.339, 49.922], "relegate_reason": [], "submitted_at": 1788666079, "scored_at": 1788775530, "rank": 2099}, {"candidate_id": "ODC-294D41", "res_at": 1787509762, "skeleton": "IWWSQYIGHJQGGB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-CHAMP01]", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCc1c··········nc2n1", "total": 49.142, "axes": {"activity": 23.82, "binding": 10.34, "selectivity": 3.59, "admet": 3.97, "novelty": 4.1, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 6.029, "fraction": 0.794}, "binding": {"pIC50": 6.55, "LE": 0.299, "potency_term": 0.518, "efficiency_cap": 0.998}, "selectivity": {"fold": 4.9, "selectivity_term": 0.346, "target_engagement": 0.518}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.649, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.852, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.602, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.029362838192984, "aff_pf": -0.5545269648234049, "aff_hs": 0.13821265598138174, "repeats_pf": {"runs": 3, "values": [-0.6514, -0.5014, -0.5107], "mean": -0.5545, "spread": 0.15}, "repeats_hs": {"runs": 3, "values": [0.2541, -0.029, 0.1896], "mean": 0.1382, "spread": 0.2831}, "at": 1787509762}, "tier": 1, "relegate_reason": [], "submitted_at": 1787509535, "scored_at": 1787509762, "alerts": [], "rank": 2100}, {"candidate_id": "ODC-176A7A", "res_at": 1787946233, "skeleton": "LNBLOPROELYEEF", "hf_user": "Bio-JS", "display_name": "A1 소형 2-메틸 x 에타이닐싸이에탄 + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 49.142, "axes": {"activity": 10.38, "binding": 15.11, "selectivity": 11.74, "admet": 3.57, "novelty": 5.45, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.223, "fraction": 0.346}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.756, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.8, "selectivity_term": 0.777, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.133, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.411, "herg": 0.05, "dili": 0.208}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.222790984839861, "aff_pf": -1.2670812209447224, "aff_hs": 0.2863818258047104, "repeats_pf": {"runs": 3, "values": [-1.2698, -1.2749, -1.2566], "mean": -1.2671, "spread": 0.0183}, "repeats_hs": {"runs": 3, "values": [0.374, 0.2687, 0.2164], "mean": 0.2864, "spread": 0.1576}, "at": 1787946233}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945029, "scored_at": 1787946233, "alerts": [], "rank": 2101}, {"candidate_id": "ODC-33764C", "res_at": 1786946409, "skeleton": "MHULTCXFZUZKCF", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 49.13, "axes": {"activity": 16.73, "binding": 14.66, "selectivity": 6.55, "admet": 3.39, "novelty": 4.58, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 7.2, "LE": 0.379, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.059, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.496, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.597, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.603941272777974, "aff_pf": -1.1989019711812336, "aff_hs": -0.3058864821990331, "repeats_pf": {"runs": 3, "values": [-1.2941, -1.1604, -1.1422], "mean": -1.1989, "spread": 0.1519}, "repeats_hs": {"runs": 3, "values": [-0.1946, -0.3695, -0.3535], "mean": -0.3059, "spread": 0.1749}, "at": 1786946409}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934308, "scored_at": 1786946409, "alerts": [], "rank": 2102}, {"candidate_id": "ODC-F66419", "res_at": 1787442919, "skeleton": "OBBVFBDFAYLXBJ", "hf_user": "1Dmeds", "display_name": "ODC26-C2", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········nc2n1", "total": 49.119, "axes": {"activity": 25.84, "binding": 7.38, "selectivity": 3.17, "admet": 3.7, "novelty": 5.05, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.15, "fraction": 0.861}, "binding": {"pIC50": 6.31, "LE": 0.254, "potency_term": 0.436, "efficiency_cap": 0.847}, "selectivity": {"fold": 5.4, "selectivity_term": 0.364, "target_engagement": 0.436}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.864, "ld50-zhu": 0.456, "herg": 0.092, "dili": 0.12}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 6.150201173926559, "aff_pf": -0.3068569004535675, "aff_hs": 0.4218716224034627, "repeats_pf": {"runs": 3, "values": [-0.3111, -0.2478, -0.3617], "mean": -0.3069, "spread": 0.114}, "repeats_hs": {"runs": 3, "values": [0.4743, 0.4524, 0.3389], "mean": 0.4219, "spread": 0.1354}, "at": 1787442919}, "tier": 1, "relegate_reason": [], "submitted_at": 1787442335, "scored_at": 1787442919, "alerts": [], "rank": 2103}, {"candidate_id": "ODC-2219A2", "res_at": 1788909586, "skeleton": "VZEWDBHMAYIIEY", "hf_user": "Bio-JS", "display_name": "0909-S1-11", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 49.116, "axes": {"activity": 13.51, "binding": 14.0, "selectivity": 10.42, "admet": 4.56, "novelty": 3.71, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 7.1, "LE": 0.36, "potency_term": 0.7, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.8, "selectivity_term": 0.744, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.58, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.4104177851318775, "aff_pf": -1.1002448797225952, "aff_hs": 0.3878376583258311, "repeats_pf": {"runs": 3, "values": [-1.0353, -1.1742, -1.0913], "mean": -1.1002, "spread": 0.1389}, "repeats_hs": {"runs": 3, "values": [0.3687, 0.3479, 0.447], "mean": 0.3878, "spread": 0.0991}, "at": 1788909586}, "tier": 1, "alerts": [], "total_sd": 0.764, "total_ci95": [47.622, 50.717], "relegate_reason": [], "submitted_at": 1788902885, "scored_at": 1788909586, "rank": 2104}, {"candidate_id": "ODC-71C291", "res_at": 1787455035, "skeleton": "IBWLIKBUIMXGDX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.082, "axes": {"activity": 13.1, "binding": 14.29, "selectivity": 10.09, "admet": 4.62, "novelty": 4.2, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.437}, "binding": {"pIC50": 7.14, "LE": 0.426, "potency_term": 0.715, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.8, "selectivity_term": 0.706, "target_engagement": 0.715}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.133, "cyp3a4-substrate-carbonmangels": 0.33, "ld50-zhu": 0.583, "herg": 0.298, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.386197848552301, "aff_pf": -1.1435304085413616, "aff_hs": 0.26821085313955945, "repeats_pf": {"runs": 3, "values": [-1.1675, -1.1139, -1.1492], "mean": -1.1435, "spread": 0.0536}, "repeats_hs": {"runs": 3, "values": [0.2205, 0.2872, 0.297], "mean": 0.2682, "spread": 0.0765}, "at": 1787455035}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453359, "scored_at": 1787455035, "alerts": [], "rank": 2105}, {"candidate_id": "ODC-99026C", "res_at": 1787323858, "skeleton": "WKMXPROAMFZOIB", "hf_user": "Ku-ku", "display_name": "C_4I_3ethynyl", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········ccc1I", "total": 49.076, "axes": {"activity": 20.97, "binding": 14.52, "selectivity": 1.96, "admet": 4.89, "novelty": 3.81, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.858, "fraction": 0.699}, "binding": {"pIC50": 7.18, "LE": 0.41, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.135, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.432, "cyp3a4-substrate-carbonmangels": 0.111, "ld50-zhu": 0.441, "herg": 0.407, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.85849879838158, "aff_pf": -1.1777382294336955, "aff_hs": -0.9082972606023153, "repeats_pf": {"runs": 3, "values": [-1.1922, -1.1755, -1.1655], "mean": -1.1777, "spread": 0.0267}, "repeats_hs": {"runs": 3, "values": [-0.7301, -0.94, -1.0547], "mean": -0.9083, "spread": 0.3246}, "at": 1787323858}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322690, "scored_at": 1787323858, "alerts": [], "rank": 2106}, {"candidate_id": "ODC-E17C74", "res_at": 1789922052, "skeleton": "WRZMZZFHHIPELV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 49.073, "axes": {"activity": 20.42, "binding": 11.29, "selectivity": 5.81, "admet": 5.19, "novelty": 3.58, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.825, "fraction": 0.681}, "binding": {"pIC50": 6.69, "LE": 0.382, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.7, "selectivity_term": 0.514, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.733, "ld50-zhu": 0.262, "herg": 0.819, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.824951461228234, "aff_pf": -0.693701446056366, "aff_hs": 0.33457454045613605, "repeats_pf": {"runs": 3, "values": [-0.7284, -0.643, -0.7097], "mean": -0.6937, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [0.3864, 0.3259, 0.2914], "mean": 0.3346, "spread": 0.0951}, "at": 1789922052}, "tier": 1, "alerts": [], "total_sd": 0.367, "total_ci95": [48.283, 49.705], "relegate_reason": [], "submitted_at": 1789758101, "scored_at": 1789922052, "rank": 2107}, {"candidate_id": "ODC-170EFD", "res_at": 1787413683, "skeleton": "MXFKOGWXPHPSJP", "hf_user": "takutoyo", "display_name": "PfD14-12", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC#Cc1c··········nc2n1", "total": 49.054, "axes": {"activity": 13.2, "binding": 15.41, "selectivity": 5.68, "admet": 7.3, "novelty": 5.21, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.392, "fraction": 0.44}, "binding": {"pIC50": 7.31, "LE": 0.401, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.369, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.658, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.667, "cyp3a4-substrate-carbonmangels": 0.316, "ld50-zhu": 0.556, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "3", "pAct_q10": 5.39202728832648, "aff_pf": -1.3113801876703899, "aff_hs": -0.5739678144454956, "repeats_pf": {"runs": 3, "values": [-1.2583, -1.4003, -1.2755], "mean": -1.3114, "spread": 0.1421}, "repeats_hs": {"runs": 3, "values": [-0.5074, -0.6317, -0.5828], "mean": -0.574, "spread": 0.1244}, "at": 1787413683}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408087, "scored_at": 1787413683, "rank": 2108}, {"candidate_id": "ODC-E54784", "res_at": 1788471873, "skeleton": "AVLIWLIFQVCCDF", "hf_user": "Ku-ku", "display_name": "KK-M-0903-340", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 49.034, "axes": {"activity": 14.07, "binding": 15.0, "selectivity": 7.77, "admet": 4.11, "novelty": 5.3, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 7.25, "LE": 0.382, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.518, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.76, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.94, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.575, "ld50-zhu": 0.424, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.4444636899982966, "aff_pf": -1.2505631844202678, "aff_hs": -0.2150988057255745, "repeats_pf": {"runs": 3, "values": [-1.2714, -1.2276, -1.2527], "mean": -1.2506, "spread": 0.0439}, "repeats_hs": {"runs": 3, "values": [0.0587, -0.3892, -0.3149], "mean": -0.2151, "spread": 0.4479}, "at": 1788471873}, "tier": 1, "alerts": [], "total_sd": 0.846, "total_ci95": [47.726, 50.939], "relegate_reason": [], "submitted_at": 1788407849, "scored_at": 1788471873, "rank": 2109}, {"candidate_id": "ODC-4E9CF2", "res_at": 1787871660, "skeleton": "KLOZSTQYWHPVAR", "hf_user": "Bio-JS", "display_name": "모르폴린-2-일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 49.012, "axes": {"activity": 19.16, "binding": 9.05, "selectivity": 10.68, "admet": 3.36, "novelty": 4.45, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.75, "fraction": 0.639}, "binding": {"pIC50": 6.65, "LE": 0.246, "potency_term": 0.551, "efficiency_cap": 0.821}, "selectivity": {"fold": 86.6, "selectivity_term": 0.969, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.281, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.369, "herg": 0.05, "dili": 0.61}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 5.749860417724813, "aff_pf": -0.6535230875015259, "aff_hs": 1.2841312885284424, "repeats_pf": {"runs": 3, "values": [-0.6354, -0.7723, -0.5529], "mean": -0.6535, "spread": 0.2195}, "repeats_hs": {"runs": 3, "values": [1.2611, 1.3377, 1.2536], "mean": 1.2841, "spread": 0.0841}, "at": 1787868361}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813188, "scored_at": 1787868361, "alerts": [], "rank": 2110}, {"candidate_id": "ODC-C56BF7", "res_at": 1789102739, "skeleton": "JTEGCBGCAAGZNV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.995, "axes": {"activity": 13.49, "binding": 13.75, "selectivity": 10.11, "admet": 5.2, "novelty": 3.5, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 7.06, "LE": 0.403, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.6, "selectivity_term": 0.735, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.708, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.391, "herg": 0.713, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.409278386664071, "aff_pf": -1.0628618399302165, "aff_hs": 0.40785396099090576, "repeats_pf": {"runs": 3, "values": [-1.1154, -1.1087, -0.9645], "mean": -1.0629, "spread": 0.151}, "repeats_hs": {"runs": 3, "values": [0.4047, 0.4912, 0.3277], "mean": 0.4079, "spread": 0.1635}, "at": 1789102739}, "tier": 1, "alerts": [], "total_sd": 0.972, "total_ci95": [47.015, 50.599], "relegate_reason": [], "submitted_at": 1789093204, "scored_at": 1789102739, "rank": 2111}, {"candidate_id": "ODC-600E0B", "res_at": 1789049904, "skeleton": "QSNDTSCQEUPHOO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.989, "axes": {"activity": 15.05, "binding": 14.65, "selectivity": 7.4, "admet": 5.37, "novelty": 3.47, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.732, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.505, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.847, "cyp2c9-veith": 0.756, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.654, "herg": 0.072, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.503215005683506, "aff_pf": -1.197241226832072, "aff_hs": -0.1864091157913208, "repeats_pf": {"runs": 3, "values": [-1.2337, -1.2052, -1.1529], "mean": -1.1972, "spread": 0.0808}, "repeats_hs": {"runs": 3, "values": [-0.1338, -0.2866, -0.1388], "mean": -0.1864, "spread": 0.1528}, "at": 1789049904}, "tier": 1, "alerts": [], "total_sd": 0.54, "total_ci95": [47.865, 49.97], "relegate_reason": [], "submitted_at": 1789040768, "scored_at": 1789049904, "rank": 2112}, {"candidate_id": "ODC-B43331", "res_at": 1787704555, "skeleton": "AZPAPJDUJGAZQH", "hf_user": "Bio-JS", "display_name": "팔 울타리: 페닐 3-메틸 (입체, 먼 쪽)", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········O)CC1", "total": 48.95, "axes": {"activity": 17.57, "binding": 12.81, "selectivity": 9.07, "admet": 2.55, "novelty": 4.41, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.654, "fraction": 0.586}, "binding": {"pIC50": 7.17, "LE": 0.266, "potency_term": 0.724, "efficiency_cap": 0.885}, "selectivity": {"fold": 17.9, "selectivity_term": 0.627, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.414, "herg": 0.05, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.654280035652307, "aff_pf": -1.1714687744776409, "aff_hs": 0.08154690265655518, "repeats_pf": {"runs": 3, "values": [-1.214, -1.0934, -1.207], "mean": -1.1715, "spread": 0.1207}, "repeats_hs": {"runs": 3, "values": [0.2134, 0.0138, 0.0174], "mean": 0.0815, "spread": 0.1996}, "at": 1787704555}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702810, "scored_at": 1787704555, "alerts": [], "rank": 2113}, {"candidate_id": "ODC-045D2D", "res_at": 1788435375, "skeleton": "CBAFIRGWEFEGMY", "hf_user": "Bio-JS", "display_name": "0903-S1-19 oF_mF/azetidin3yl/tmSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.946, "axes": {"activity": 23.49, "binding": 8.7, "selectivity": 4.7, "admet": 3.65, "novelty": 5.39, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 6.009, "fraction": 0.783}, "binding": {"pIC50": 6.64, "LE": 0.239, "potency_term": 0.546, "efficiency_cap": 0.798}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.546}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.381, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.009177699736137, "aff_pf": -0.6366736094156901, "aff_hs": 0.22443277140458426, "repeats_pf": {"runs": 3, "values": [-0.4912, -0.6287, -0.7901], "mean": -0.6367, "spread": 0.2989}, "repeats_hs": {"runs": 3, "values": [0.2201, 0.1784, 0.2747], "mean": 0.2244, "spread": 0.0963}, "at": 1788435375}, "tier": 1, "alerts": [], "total_sd": 0.99, "total_ci95": [47.017, 51.229], "relegate_reason": [], "submitted_at": 1788362819, "scored_at": 1788435375, "rank": 2114}, {"candidate_id": "ODC-1B20E8", "res_at": 1789109935, "skeleton": "WWNBSGYGIWPYHP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.937, "axes": {"activity": 14.9, "binding": 13.16, "selectivity": 9.81, "admet": 4.86, "novelty": 3.65, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 6.97, "LE": 0.368, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.0, "selectivity_term": 0.745, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.902, "cyp3a4-substrate-carbonmangels": 0.682, "ld50-zhu": 0.422, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.494001088475297, "aff_pf": -0.974656879901886, "aff_hs": 0.5163342952728271, "repeats_pf": {"runs": 3, "values": [-0.9336, -1.1814, -0.8089], "mean": -0.9747, "spread": 0.3725}, "repeats_hs": {"runs": 3, "values": [0.4811, 0.5904, 0.4775], "mean": 0.5163, "spread": 0.1129}, "at": 1789109935}, "tier": 1, "alerts": [], "total_sd": 2.255, "total_ci95": [45.073, 54.004], "relegate_reason": [], "submitted_at": 1789094171, "scored_at": 1789109935, "rank": 2115}, {"candidate_id": "ODC-4E0D97", "res_at": 1789269510, "skeleton": "NJIGZRZQPSENRR", "hf_user": "Ku-ku", "display_name": "KK-M-0913-118", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 48.933, "axes": {"activity": 27.45, "binding": 7.22, "selectivity": 0.59, "admet": 3.39, "novelty": 6.67, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 6.247, "fraction": 0.915}, "binding": {"pIC50": 6.22, "LE": 0.266, "potency_term": 0.407, "efficiency_cap": 0.888}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.407}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.2470522057190685, "aff_pf": -0.21991394460201263, "aff_hs": -0.074308047691981, "repeats_pf": {"runs": 3, "values": [-0.2805, -0.0524, -0.3268], "mean": -0.2199, "spread": 0.2744}, "repeats_hs": {"runs": 3, "values": [-0.086, -0.1096, -0.0274], "mean": -0.0743, "spread": 0.0822}, "at": 1789269510}, "tier": 1, "alerts": [], "total_sd": 0.768, "total_ci95": [47.802, 50.19], "relegate_reason": [], "submitted_at": 1789263754, "scored_at": 1789269510, "rank": 2116}, {"candidate_id": "ODC-F0804A", "res_at": 1787524197, "skeleton": "ZVFCZXKDBMLBIP", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.932, "axes": {"activity": 6.35, "binding": 15.76, "selectivity": 13.87, "admet": 5.52, "novelty": 4.2, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 4.981, "fraction": 0.212}, "binding": {"pIC50": 7.36, "LE": 0.439, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.5, "selectivity_term": 0.88, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.89, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.597, "herg": 0.621, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 4.9811065463765525, "aff_pf": -1.3642578919728596, "aff_hs": 0.39557239413261414, "repeats_pf": {"runs": 3, "values": [-1.3702, -1.3657, -1.3569], "mean": -1.3643, "spread": 0.0132}, "repeats_hs": {"runs": 3, "values": [0.3473, 0.3997, 0.4398], "mean": 0.3956, "spread": 0.0925}, "at": 1787524197}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520632, "scored_at": 1787524197, "alerts": [], "rank": 2117}, {"candidate_id": "ODC-11B49B", "res_at": 1789339586, "skeleton": "JQHASHQEGPLINO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.924, "axes": {"activity": 14.81, "binding": 14.3, "selectivity": 7.64, "admet": 5.13, "novelty": 4.07, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.488, "fraction": 0.494}, "binding": {"pIC50": 7.14, "LE": 0.408, "potency_term": 0.715, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.715}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.74, "herg": 0.464, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.488378899860256, "aff_pf": -1.1445964972178142, "aff_hs": -0.07642164702216785, "repeats_pf": {"runs": 3, "values": [-1.1766, -1.2029, -1.0543], "mean": -1.1446, "spread": 0.1487}, "repeats_hs": {"runs": 3, "values": [-0.0519, -0.0369, -0.1404], "mean": -0.0764, "spread": 0.1035}, "at": 1789339586}, "tier": 1, "alerts": [], "total_sd": 0.891, "total_ci95": [47.14, 50.327], "relegate_reason": [], "submitted_at": 1789328932, "scored_at": 1789339586, "rank": 2118}, {"candidate_id": "ODC-F34987", "res_at": 1787493866, "skeleton": "WJSMASNPKOQBAE", "hf_user": "takutoyo", "display_name": "PfD15-12", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.923, "axes": {"activity": 20.13, "binding": 13.56, "selectivity": 6.91, "admet": 2.55, "novelty": 3.39, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.808, "fraction": 0.671}, "binding": {"pIC50": 7.17, "LE": 0.281, "potency_term": 0.724, "efficiency_cap": 0.936}, "selectivity": {"fold": 9.0, "selectivity_term": 0.477, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.192, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.544, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.807780801361661, "aff_pf": -1.1733219226201375, "aff_hs": -0.2189783255259196, "repeats_pf": {"runs": 3, "values": [-1.3134, -1.0528, -1.1538], "mean": -1.1733, "spread": 0.2606}, "repeats_hs": {"runs": 3, "values": [-0.3189, -0.0372, -0.3008], "mean": -0.219, "spread": 0.2818}, "at": 1787493866}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491604, "scored_at": 1787493866, "alerts": [], "rank": 2119}, {"candidate_id": "ODC-932ED9", "res_at": 1789202134, "skeleton": "WTTCUKDCKJHYND", "hf_user": "Bio-JS", "display_name": "0912-S1-x5_N", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.909, "axes": {"activity": 12.03, "binding": 14.27, "selectivity": 10.18, "admet": 5.95, "novelty": 3.38, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 7.14, "LE": 0.425, "potency_term": 0.714, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.7, "selectivity_term": 0.713, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.459, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.837, "ld50-zhu": 0.525, "herg": 0.508, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.321526695107365, "aff_pf": -1.1406668821970622, "aff_hs": 0.2853601574897766, "repeats_pf": {"runs": 3, "values": [-1.1623, -1.1151, -1.1446], "mean": -1.1407, "spread": 0.0472}, "repeats_hs": {"runs": 3, "values": [0.2984, 0.2191, 0.3386], "mean": 0.2854, "spread": 0.1195}, "at": 1789202134}, "tier": 1, "alerts": [], "total_sd": 0.357, "total_ci95": [48.244, 49.58], "relegate_reason": [], "submitted_at": 1789177507, "scored_at": 1789202134, "rank": 2120}, {"candidate_id": "ODC-34212D", "res_at": 1787881349, "skeleton": "DQDRMOZUTJXITA", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L09", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1c(··········)CCC2", "total": 48.9, "axes": {"activity": 27.72, "binding": 6.69, "selectivity": 0.0, "admet": 4.34, "novelty": 6.65, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.263, "fraction": 0.924}, "binding": {"pIC50": 6.0, "LE": 0.305, "potency_term": 0.334, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.334}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.585, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 6.263028811993542, "aff_pf": -0.0028790486976504326, "aff_hs": -0.06437589724858601, "repeats_pf": {"runs": 3, "values": [0.0083, -0.0096, -0.0074], "mean": -0.0029, "spread": 0.0179}, "repeats_hs": {"runs": 3, "values": [-0.06, -0.0851, -0.048], "mean": -0.0644, "spread": 0.0371}, "at": 1787881349}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822333, "scored_at": 1787881349, "alerts": [], "rank": 2121}, {"candidate_id": "ODC-FFC44F", "res_at": 1789008112, "skeleton": "WDTBMWAYEGUKAJ", "hf_user": "Bio-JS", "display_name": "0910c-S1-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.877, "axes": {"activity": 13.05, "binding": 14.55, "selectivity": 9.15, "admet": 5.76, "novelty": 3.06, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.383, "fraction": 0.435}, "binding": {"pIC50": 7.18, "LE": 0.492, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.333, "ld50-zhu": 0.436, "herg": 0.715, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.58, "novelty": 0.42}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.383019361485409, "aff_pf": -1.1826029618581135, "aff_hs": 0.07444713513056438, "repeats_pf": {"runs": 3, "values": [-1.1531, -1.295, -1.0996], "mean": -1.1826, "spread": 0.1954}, "repeats_hs": {"runs": 3, "values": [0.0032, 0.1264, 0.0937], "mean": 0.0744, "spread": 0.1232}, "at": 1789008112}, "tier": 1, "alerts": [], "total_sd": 1.145, "total_ci95": [47.135, 51.499], "relegate_reason": [], "submitted_at": 1789006206, "scored_at": 1789008112, "rank": 2122}, {"candidate_id": "ODC-7CF031", "res_at": 1787727000, "skeleton": "QVKVEXRGOMVYOH", "hf_user": "Moonweave", "display_name": "M5AI-P12-ME-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C)c1F", "total": 48.876, "axes": {"activity": 19.07, "binding": 14.47, "selectivity": 5.22, "admet": 2.68, "novelty": 4.07, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.636}, "binding": {"pIC50": 7.17, "LE": 0.327, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.36, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.615, "herg": 0.05, "dili": 0.323}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.744293020433775, "aff_pf": -1.1708041429519653, "aff_hs": -0.45001348853111267, "repeats_pf": {"runs": 3, "values": [-1.1346, -1.2468, -1.131], "mean": -1.1708, "spread": 0.1157}, "repeats_hs": {"runs": 3, "values": [-0.4679, -0.5, -0.3821], "mean": -0.45, "spread": 0.1179}, "at": 1787727000}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726029, "scored_at": 1787727000, "alerts": [], "rank": 2123}, {"candidate_id": "ODC-08F6D0", "res_at": 1788330864, "skeleton": "VINOMIJJUOUIOP", "hf_user": "Bio-JS", "display_name": "0902-메틸설폰x코어탈메틸-HA33", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 48.873, "axes": {"activity": 18.47, "binding": 11.94, "selectivity": 10.3, "admet": 2.29, "novelty": 3.33, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.708, "fraction": 0.616}, "binding": {"pIC50": 6.88, "LE": 0.286, "potency_term": 0.627, "efficiency_cap": 0.952}, "selectivity": {"fold": 43.9, "selectivity_term": 0.821, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.708037086194519, "aff_pf": -0.881231943766276, "aff_hs": 0.7608762284119924, "repeats_pf": {"runs": 3, "values": [-0.8149, -0.898, -0.9308], "mean": -0.8812, "spread": 0.1159}, "repeats_hs": {"runs": 3, "values": [0.4005, 1.0523, 0.8299], "mean": 0.7609, "spread": 0.6518}, "at": 1788330864}, "tier": 1, "alerts": [], "total_sd": 1.101, "total_ci95": [46.779, 51.036], "relegate_reason": [], "submitted_at": 1788327353, "scored_at": 1788330864, "rank": 2124}, {"candidate_id": "ODC-F9343C", "res_at": 1788516078, "skeleton": "HCEPVLHXJMJTMQ", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW MeCF2/Me/p-MeCF2", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.847, "axes": {"activity": 13.94, "binding": 14.09, "selectivity": 11.14, "admet": 4.8, "novelty": 1.65, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.465}, "binding": {"pIC50": 7.11, "LE": 0.39, "potency_term": 0.704, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.2, "selectivity_term": 0.791, "target_engagement": 0.704}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.54, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.337, "herg": 0.149, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.766, "novelty": 0.234}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.436417802949098, "aff_pf": -1.113100568453471, "aff_hs": 0.4687223235766093, "repeats_pf": {"runs": 3, "values": [-1.1961, -1.0138, -1.1294], "mean": -1.1131, "spread": 0.1822}, "repeats_hs": {"runs": 3, "values": [0.5432, 0.3882, 0.4747], "mean": 0.4687, "spread": 0.155}, "at": 1788516078}, "tier": 1, "alerts": [], "total_sd": 1.06, "total_ci95": [46.54, 50.825], "relegate_reason": [], "submitted_at": 1788487425, "scored_at": 1788516078, "rank": 2125}, {"candidate_id": "ODC-B83AD6", "res_at": 1786854512, "skeleton": "BYKLLVKGPVOUAB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.83, "axes": {"activity": 17.4, "binding": 11.53, "selectivity": 11.06, "admet": 3.28, "novelty": 3.48, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 6.73, "LE": 0.341, "potency_term": 0.577, "efficiency_cap": 1.0}, "selectivity": {"fold": 82.7, "selectivity_term": 0.959, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.609, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.548, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "2", "pAct_q10": 5.643747366619204, "aff_pf": -0.7300154566764832, "aff_hs": 1.1874151627222698, "repeats_pf": {"runs": 3, "values": [-0.6593, -0.7844, -0.7464], "mean": -0.73, "spread": 0.1251}, "repeats_hs": {"runs": 3, "values": [1.1772, 1.1586, 1.2264], "mean": 1.1874, "spread": 0.0678}, "at": 1786854512}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847655, "scored_at": 1786854512, "alerts": [], "rank": 2126}, {"candidate_id": "ODC-428CE9", "res_at": 1787508847, "skeleton": "KRWRQRRBCGZKGP", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-GS01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········nc2n1", "total": 48.825, "axes": {"activity": 20.99, "binding": 11.59, "selectivity": 6.2, "admet": 3.62, "novelty": 3.5, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.86, "fraction": 0.7}, "binding": {"pIC50": 6.74, "LE": 0.318, "potency_term": 0.58, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.631, "ld50-zhu": 0.578, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.859510103242695, "aff_pf": -0.7388463815053304, "aff_hs": 0.33110925058523816, "repeats_pf": {"runs": 3, "values": [-0.7531, -0.8397, -0.6238], "mean": -0.7388, "spread": 0.216}, "repeats_hs": {"runs": 3, "values": [0.1514, 0.1649, 0.677], "mean": 0.3311, "spread": 0.5256}, "at": 1787508847}, "tier": 1, "relegate_reason": [], "submitted_at": 1787508539, "scored_at": 1787508847, "alerts": [], "rank": 2127}, {"candidate_id": "ODC-1E1594", "res_at": 1787084479, "skeleton": "WYHQANMYMRUXJO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 48.821, "axes": {"activity": 16.55, "binding": 14.48, "selectivity": 6.28, "admet": 4.0, "novelty": 4.49, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.593, "fraction": 0.552}, "binding": {"pIC50": 7.17, "LE": 0.378, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.433, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.454, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.37, "ld50-zhu": 0.636, "herg": 0.12, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.592864094921578, "aff_pf": -1.1726113557815552, "aff_hs": -0.3057689070701599, "repeats_pf": {"runs": 3, "values": [-1.1627, -1.1842, -1.1709], "mean": -1.1726, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [-0.3121, -0.3129, -0.2923], "mean": -0.3058, "spread": 0.0206}, "at": 1787084479}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074026, "scored_at": 1787084479, "alerts": [], "rank": 2128}, {"candidate_id": "ODC-DE99A8", "res_at": 1789057489, "skeleton": "VWUGZJPTENAFHM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 48.806, "axes": {"activity": 13.51, "binding": 15.51, "selectivity": 8.45, "admet": 4.86, "novelty": 2.93, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 7.33, "LE": 0.418, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.545, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.531, "cyp2c9-veith": 0.329, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.142}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.410336377640133, "aff_pf": -1.326629360516866, "aff_hs": -0.2371819963057836, "repeats_pf": {"runs": 3, "values": [-1.3634, -1.2938, -1.3227], "mean": -1.3266, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [-0.3031, -0.239, -0.1695], "mean": -0.2372, "spread": 0.1335}, "at": 1789057489}, "tier": 1, "alerts": [], "total_sd": 0.438, "total_ci95": [47.894, 49.522], "relegate_reason": [], "submitted_at": 1789041280, "scored_at": 1789057489, "rank": 2129}, {"candidate_id": "ODC-EADD45", "res_at": 1789001730, "skeleton": "PYLQEGBYXWLAGP", "hf_user": "Bio-JS", "display_name": "0910b-S1-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.8, "axes": {"activity": 8.72, "binding": 14.53, "selectivity": 14.53, "admet": 5.65, "novelty": 1.93, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.123, "fraction": 0.291}, "binding": {"pIC50": 7.18, "LE": 0.447, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 164.0, "selectivity_term": 1.0, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.631, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.861, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.289, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.735, "novelty": 0.265}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.123027313452063, "aff_pf": -1.1798649231592815, "aff_hs": 1.0350649158159893, "repeats_pf": {"runs": 3, "values": [-1.2203, -1.2042, -1.1151], "mean": -1.1799, "spread": 0.1053}, "repeats_hs": {"runs": 3, "values": [1.102, 0.8724, 1.1307], "mean": 1.0351, "spread": 0.2583}, "at": 1789001730}, "tier": 1, "alerts": [], "total_sd": 0.482, "total_ci95": [47.609, 49.543], "relegate_reason": [], "submitted_at": 1789001538, "scored_at": 1789001730, "rank": 2130}, {"candidate_id": "ODC-A656D6", "res_at": 1788296140, "skeleton": "VEWLLNVUTUNQDS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-B-H2-cpa-g-C7-3Mehexyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········N)CC1", "total": 48.798, "axes": {"activity": 30.0, "binding": 4.31, "selectivity": 0.0, "admet": 4.33, "novelty": 7.0, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 6.509, "fraction": 1.0}, "binding": {"pIC50": 5.91, "LE": 0.213, "potency_term": 0.303, "efficiency_cap": 0.71}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.303}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.167, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.452, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.597, "herg": 0.219, "dili": 0.264}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 6.508535105417405, "aff_pf": 0.09065631528695424, "aff_hs": 0.05655046304066976, "repeats_pf": {"runs": 3, "values": [-0.2694, 0.3515, 0.1899], "mean": 0.0907, "spread": 0.6208}, "repeats_hs": {"runs": 3, "values": [0.1394, 0.3734, -0.3431], "mean": 0.0566, "spread": 0.7165}, "at": 1788296140}, "tier": 1, "alerts": [], "total_sd": 1.173, "total_ci95": [47.427, 51.785], "relegate_reason": [], "submitted_at": 1788271657, "scored_at": 1788296140, "rank": 2131}, {"candidate_id": "ODC-85B31A", "res_at": 1786908592, "skeleton": "MSGBRHMYEDXXMF", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 48.79, "axes": {"activity": 16.01, "binding": 14.74, "selectivity": 5.7, "admet": 4.73, "novelty": 4.26, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.534}, "binding": {"pIC50": 7.21, "LE": 0.395, "potency_term": 0.737, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.387, "target_engagement": 0.737}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.909, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.657, "ld50-zhu": 0.551, "herg": 0.161, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.560417250760879, "aff_pf": -1.2112578550974529, "aff_hs": -0.4372689624627431, "repeats_pf": {"runs": 3, "values": [-1.2646, -1.1793, -1.1899], "mean": -1.2113, "spread": 0.0852}, "repeats_hs": {"runs": 3, "values": [-0.4166, -0.3852, -0.51], "mean": -0.4373, "spread": 0.1248}, "at": 1786908592}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899340, "scored_at": 1786908592, "alerts": [], "rank": 2132}, {"candidate_id": "ODC-69FE10", "res_at": 1789525835, "skeleton": "NJJINXYKGSFRPN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCc1cc··········cc1Br", "total": 48.752, "axes": {"activity": 7.43, "binding": 18.05, "selectivity": 8.35, "admet": 5.64, "novelty": 5.88, "synthesis": 3.41}, "detail": {"activity": {"pAct_q10": 5.046, "fraction": 0.248}, "binding": {"pIC50": 7.71, "LE": 0.422, "potency_term": 0.902, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.463, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.382, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.769, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 5.045556310182149, "aff_pf": -1.7068112293879192, "aff_hs": -0.7808465957641602, "repeats_pf": {"runs": 3, "values": [-1.6945, -1.7038, -1.7221], "mean": -1.7068, "spread": 0.0276}, "repeats_hs": {"runs": 3, "values": [-0.8719, -0.5922, -0.8784], "mean": -0.7808, "spread": 0.2862}, "at": 1789525835}, "tier": 1, "alerts": [], "total_sd": 0.722, "total_ci95": [47.671, 50.454], "relegate_reason": [], "submitted_at": 1789524477, "scored_at": 1789525835, "rank": 2133}, {"candidate_id": "ODC-661F1C", "res_at": 1786931630, "skeleton": "VRODCJVFINZQCC", "hf_user": "choa712", "display_name": "LUCY-P02", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 48.75, "axes": {"activity": 19.74, "binding": 12.95, "selectivity": 5.56, "admet": 3.74, "novelty": 4.2, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.784, "fraction": 0.658}, "binding": {"pIC50": 6.94, "LE": 0.34, "potency_term": 0.648, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.648}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.084, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.72, "herg": 0.143, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.784379180552313, "aff_pf": -0.9431895812352499, "aff_hs": -0.08551277468601863, "repeats_pf": {"runs": 3, "values": [-0.9849, -0.9552, -0.8895], "mean": -0.9432, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [-0.1578, 0.0035, -0.1022], "mean": -0.0855, "spread": 0.1612}, "at": 1786931630}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925503, "scored_at": 1786931630, "alerts": [], "rank": 2134}, {"candidate_id": "ODC-215099", "res_at": 1787546404, "skeleton": "KDXXWVQLKPKYGW", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.736, "axes": {"activity": 15.92, "binding": 12.11, "selectivity": 11.57, "admet": 2.76, "novelty": 4.08, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.531}, "binding": {"pIC50": 7.04, "LE": 0.268, "potency_term": 0.678, "efficiency_cap": 0.892}, "selectivity": {"fold": 50.6, "selectivity_term": 0.852, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.361, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.193, "ld50-zhu": 0.387, "herg": 0.05, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.555238518244166, "aff_pf": -1.0354940096537273, "aff_hs": 0.6690743565559387, "repeats_pf": {"runs": 3, "values": [-0.9859, -0.9625, -1.1581], "mean": -1.0355, "spread": 0.1957}, "repeats_hs": {"runs": 3, "values": [0.6206, 0.6531, 0.7335], "mean": 0.6691, "spread": 0.1129}, "at": 1787546404}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523317, "scored_at": 1787546404, "alerts": [], "rank": 2135}, {"candidate_id": "ODC-35AF88", "res_at": 1787579932, "skeleton": "XUYDBEBRVXEWID", "hf_user": "Ku-ku", "display_name": "KK-M-0824-47", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.734, "axes": {"activity": 12.0, "binding": 14.74, "selectivity": 10.01, "admet": 4.47, "novelty": 4.29, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.32, "fraction": 0.4}, "binding": {"pIC50": 7.21, "LE": 0.395, "potency_term": 0.737, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.9, "selectivity_term": 0.679, "target_engagement": 0.737}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.319870479805235, "aff_pf": -1.210911750793457, "aff_hs": 0.14802532891432443, "repeats_pf": {"runs": 3, "values": [-1.1307, -1.1566, -1.3455], "mean": -1.2109, "spread": 0.2148}, "repeats_hs": {"runs": 3, "values": [0.0871, 0.1554, 0.2016], "mean": 0.148, "spread": 0.1145}, "at": 1787579932}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578586, "scored_at": 1787579932, "alerts": [], "rank": 2136}, {"candidate_id": "ODC-0EE8A5", "res_at": 1786914320, "skeleton": "BRPQYEINVQULAU", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-9th", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 48.73, "axes": {"activity": 11.07, "binding": 14.27, "selectivity": 12.2, "admet": 4.83, "novelty": 3.68, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 7.14, "LE": 0.362, "potency_term": 0.714, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.2, "selectivity_term": 0.855, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.614, "herg": 0.318, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.263937995446915, "aff_pf": -1.1410306692123413, "aff_hs": 0.568564216295878, "repeats_pf": {"runs": 3, "values": [-1.1289, -1.135, -1.1592], "mean": -1.141, "spread": 0.0303}, "repeats_hs": {"runs": 3, "values": [0.557, 0.641, 0.5078], "mean": 0.5686, "spread": 0.1332}, "at": 1786914320}, "tier": 1, "relegate_reason": [], "submitted_at": 1786914120, "scored_at": 1786914320, "alerts": [], "rank": 2137}, {"candidate_id": "ODC-188636", "res_at": 1787401903, "skeleton": "GTNNLESUTPPUDS", "hf_user": "Ku-ku", "display_name": "W7_SCHF2_to_NHCHF2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.726, "axes": {"activity": 11.21, "binding": 14.64, "selectivity": 10.94, "admet": 5.93, "novelty": 2.78, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 7.2, "LE": 0.448, "potency_term": 0.732, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.2, "selectivity_term": 0.747, "target_engagement": 0.732}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.67, "cyp3a4-substrate-carbonmangels": 0.549, "ld50-zhu": 0.339, "herg": 0.822, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.62, "novelty": 0.38}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.272648098746587, "aff_pf": -1.196460763613383, "aff_hs": 0.29713355998198193, "repeats_pf": {"runs": 3, "values": [-1.2803, -1.0837, -1.2253], "mean": -1.1965, "spread": 0.1966}, "repeats_hs": {"runs": 3, "values": [0.2125, 0.5012, 0.1777], "mean": 0.2971, "spread": 0.3235}, "at": 1787401903}, "tier": 1, "relegate_reason": [], "submitted_at": 1787400914, "scored_at": 1787401903, "alerts": [], "rank": 2138}, {"candidate_id": "ODC-165A25", "res_at": 1787703163, "skeleton": "NXPJVPIQWAAFBZ", "hf_user": "Bio-JS", "display_name": "요인 S고리 × 하이드록시메틸", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.722, "axes": {"activity": 18.54, "binding": 13.89, "selectivity": 5.96, "admet": 2.97, "novelty": 4.58, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.712, "fraction": 0.618}, "binding": {"pIC50": 7.31, "LE": 0.271, "potency_term": 0.77, "efficiency_cap": 0.902}, "selectivity": {"fold": 5.9, "selectivity_term": 0.387, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.508, "caco2-wang": 0.249, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.462, "herg": 0.05, "dili": 0.315}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.712411778571956, "aff_pf": -1.3094743887583415, "aff_hs": -0.5353144208590189, "repeats_pf": {"runs": 3, "values": [-1.2997, -1.2163, -1.4124], "mean": -1.3095, "spread": 0.1961}, "repeats_hs": {"runs": 3, "values": [-0.431, -0.3897, -0.7852], "mean": -0.5353, "spread": 0.3954}, "at": 1787703163}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702773, "scored_at": 1787703163, "alerts": [], "rank": 2139}, {"candidate_id": "ODC-18B083", "res_at": 1789309783, "skeleton": "PZLFTKHUEACDDS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 48.707, "axes": {"activity": 14.77, "binding": 14.44, "selectivity": 8.45, "admet": 4.57, "novelty": 3.49, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 7.17, "LE": 0.364, "potency_term": 0.722, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.097, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.533, "herg": 0.261, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.486240113129638, "aff_pf": -1.1653004089991252, "aff_hs": 0.004967346787452698, "repeats_pf": {"runs": 3, "values": [-1.1005, -1.2021, -1.1934], "mean": -1.1653, "spread": 0.1016}, "repeats_hs": {"runs": 3, "values": [0.0358, -0.0845, 0.0637], "mean": 0.005, "spread": 0.1482}, "at": 1789309783}, "tier": 1, "alerts": [], "total_sd": 0.679, "total_ci95": [47.238, 49.849], "relegate_reason": [], "submitted_at": 1789308602, "scored_at": 1789309783, "rank": 2140}, {"candidate_id": "ODC-4C3227", "res_at": 1789379653, "skeleton": "DXDPQUJFWGZMQL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 48.703, "axes": {"activity": 14.57, "binding": 15.43, "selectivity": 4.77, "admet": 5.39, "novelty": 5.07, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 7.31, "LE": 0.418, "potency_term": 0.772, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.309, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.666, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.414, "herg": 0.173, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.474368179439074, "aff_pf": -1.3147680759429932, "aff_hs": -0.6966595848401388, "repeats_pf": {"runs": 3, "values": [-1.2254, -1.3472, -1.3717], "mean": -1.3148, "spread": 0.1463}, "repeats_hs": {"runs": 3, "values": [-0.7308, -0.6158, -0.7433], "mean": -0.6967, "spread": 0.1275}, "at": 1789379653}, "tier": 1, "alerts": [], "total_sd": 0.844, "total_ci95": [47.007, 50.142], "relegate_reason": [], "submitted_at": 1789365601, "scored_at": 1789379653, "rank": 2141}, {"candidate_id": "ODC-263F29", "res_at": 1789969429, "skeleton": "MGDWCUSDRVYWSX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 48.7, "axes": {"activity": 18.66, "binding": 12.79, "selectivity": 6.49, "admet": 4.26, "novelty": 3.67, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.72, "fraction": 0.622}, "binding": {"pIC50": 6.92, "LE": 0.365, "potency_term": 0.64, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.508, "target_engagement": 0.64}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.77, "ld50-zhu": 0.592, "herg": 0.149, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.719670571803479, "aff_pf": -0.9191662669181824, "aff_hs": 0.09589887037873268, "repeats_pf": {"runs": 3, "values": [-0.8706, -0.9567, -0.9302], "mean": -0.9192, "spread": 0.0861}, "repeats_hs": {"runs": 3, "values": [0.094, 0.1866, 0.007], "mean": 0.0959, "spread": 0.1796}, "at": 1789969429}, "tier": 1, "alerts": [], "total_sd": 0.575, "total_ci95": [47.637, 49.734], "relegate_reason": [], "submitted_at": 1789949320, "scored_at": 1789969429, "rank": 2142}, {"candidate_id": "ODC-619FA8", "res_at": 1786948855, "skeleton": "OIZSVTOIBNSVOS", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.684, "axes": {"activity": 14.45, "binding": 14.59, "selectivity": 11.24, "admet": 5.68, "novelty": 0.0, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.19, "LE": 0.365, "potency_term": 0.729, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.7, "selectivity_term": 0.77, "target_engagement": 0.729}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.638, "ld50-zhu": 0.66, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "2", "pAct_q10": 5.46674677925073, "aff_pf": -1.1879986921946208, "aff_hs": 0.35248101751009625, "repeats_pf": {"runs": 3, "values": [-1.193, -1.1445, -1.2265], "mean": -1.188, "spread": 0.082}, "repeats_hs": {"runs": 3, "values": [0.368, 0.3603, 0.3291], "mean": 0.3525, "spread": 0.0389}, "at": 1786948855}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937526, "scored_at": 1786948855, "alerts": [], "rank": 2143}, {"candidate_id": "ODC-289759", "res_at": 1788492325, "skeleton": "MZHQTCJRNRFBMG", "hf_user": "Ku-ku", "display_name": "KK-M-0903-369", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 48.674, "axes": {"activity": 6.74, "binding": 16.54, "selectivity": 12.0, "admet": 4.85, "novelty": 6.15, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.004, "fraction": 0.225}, "binding": {"pIC50": 7.48, "LE": 0.394, "potency_term": 0.827, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.3, "selectivity_term": 0.726, "target_engagement": 0.827}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.388, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "0", "pAct_q10": 5.004278412458471, "aff_pf": -1.4808497428894043, "aff_hs": -0.029277972877025604, "repeats_pf": {"runs": 3, "values": [-1.468, -1.4815, -1.493], "mean": -1.4808, "spread": 0.025}, "repeats_hs": {"runs": 3, "values": [-0.0486, -0.015, -0.0242], "mean": -0.0293, "spread": 0.0336}, "at": 1788492325}, "tier": 1, "alerts": [], "total_sd": 0.164, "total_ci95": [48.371, 48.98], "relegate_reason": [], "submitted_at": 1788430797, "scored_at": 1788492325, "rank": 2144}, {"candidate_id": "ODC-D4DF86", "res_at": 1787556313, "skeleton": "MBYAQQKJQAOSSH", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DOM02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 48.666, "axes": {"activity": 19.47, "binding": 14.3, "selectivity": 3.57, "admet": 4.19, "novelty": 4.41, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.768, "fraction": 0.649}, "binding": {"pIC50": 7.14, "LE": 0.35, "potency_term": 0.715, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.249, "target_engagement": 0.715}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.128, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.674, "herg": 0.229, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.768115051979053, "aff_pf": -1.1447172959645588, "aff_hs": -0.6457568605740865, "repeats_pf": {"runs": 3, "values": [-1.0476, -1.1454, -1.2411], "mean": -1.1447, "spread": 0.1935}, "repeats_hs": {"runs": 3, "values": [-0.6746, -0.6551, -0.6076], "mean": -0.6458, "spread": 0.0671}, "at": 1787556313}, "tier": 1, "relegate_reason": [], "submitted_at": 1787543472, "scored_at": 1787556313, "alerts": [], "rank": 2145}, {"candidate_id": "ODC-51E42E", "res_at": 1787513633, "skeleton": "BDVSWMCVPPBEIH", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-CONQ02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········nc2n1", "total": 48.662, "axes": {"activity": 19.69, "binding": 12.55, "selectivity": 7.08, "admet": 3.53, "novelty": 3.11, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.781, "fraction": 0.656}, "binding": {"pIC50": 6.88, "LE": 0.325, "potency_term": 0.628, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.748, "ld50-zhu": 0.609, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.781186331373682, "aff_pf": -0.8829920490582784, "aff_hs": 0.2447983125845591, "repeats_pf": {"runs": 3, "values": [-0.9051, -0.7862, -0.9577], "mean": -0.883, "spread": 0.1714}, "repeats_hs": {"runs": 3, "values": [0.3248, -0.0816, 0.4912], "mean": 0.2448, "spread": 0.5728}, "at": 1787513633}, "tier": 1, "relegate_reason": [], "submitted_at": 1787513246, "scored_at": 1787513633, "alerts": [], "rank": 2146}, {"candidate_id": "ODC-E42F85", "res_at": 1788774393, "skeleton": "MQYVFLZRCWGDAP", "hf_user": "Bio-JS", "display_name": "0906-S1-23 SMe/CN/R6-H/p-SCHF2/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.662, "axes": {"activity": 18.87, "binding": 12.97, "selectivity": 6.0, "admet": 4.68, "novelty": 3.45, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.732, "fraction": 0.629}, "binding": {"pIC50": 6.95, "LE": 0.381, "potency_term": 0.649, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.666, "herg": 0.685, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.73215067880837, "aff_pf": -0.9457664092381796, "aff_hs": -0.021334496637185413, "repeats_pf": {"runs": 3, "values": [-0.9628, -0.9443, -0.9302], "mean": -0.9458, "spread": 0.0326}, "repeats_hs": {"runs": 3, "values": [0.0056, 0.0363, -0.1059], "mean": -0.0213, "spread": 0.1423}, "at": 1788774393}, "tier": 1, "alerts": [], "total_sd": 0.275, "total_ci95": [48.12, 49.208], "relegate_reason": [], "submitted_at": 1788666057, "scored_at": 1788774393, "rank": 2147}, {"candidate_id": "ODC-150FC4", "res_at": 1789604507, "skeleton": "QIVLQGOIBUUKIS", "hf_user": "Ku-ku", "display_name": "KK-M-0917-015", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 48.66, "axes": {"activity": 13.19, "binding": 14.04, "selectivity": 6.61, "admet": 7.5, "novelty": 4.87, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.392, "fraction": 0.44}, "binding": {"pIC50": 7.11, "LE": 0.423, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.471, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.712, "per_endpoint": {"solubility-aqsoldb": 0.796, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.668, "cyp3a4-substrate-carbonmangels": 0.842, "ld50-zhu": 0.381, "herg": 0.653, "dili": 0.35}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "0", "pAct_q10": 5.39158972782356, "aff_pf": -1.1057999928792317, "aff_hs": -0.16356599827607474, "repeats_pf": {"runs": 3, "values": [-1.0821, -1.088, -1.1474], "mean": -1.1058, "spread": 0.0653}, "repeats_hs": {"runs": 3, "values": [-0.305, -0.0894, -0.0963], "mean": -0.1636, "spread": 0.2156}, "at": 1789604507}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.506, "total_ci95": [47.668, 49.675], "relegate_reason": [], "submitted_at": 1789604316, "scored_at": 1789604507, "rank": 2148}, {"candidate_id": "ODC-9B135B", "res_at": 1789010057, "skeleton": "NTQCPWISUKGATA", "hf_user": "Bio-JS", "display_name": "0910c-S1-09", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.656, "axes": {"activity": 12.03, "binding": 13.95, "selectivity": 11.78, "admet": 5.15, "novelty": 2.47, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 7.09, "LE": 0.486, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.8, "selectivity_term": 0.844, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.489, "ld50-zhu": 0.347, "herg": 0.514, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.646, "novelty": 0.354}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.3218586333919875, "aff_pf": -1.0925701260566711, "aff_hs": 0.5961402654647827, "repeats_pf": {"runs": 3, "values": [-1.1314, -1.1621, -0.9842], "mean": -1.0926, "spread": 0.1779}, "repeats_hs": {"runs": 3, "values": [0.8444, 0.4275, 0.5165], "mean": 0.5961, "spread": 0.4169}, "at": 1789010057}, "tier": 1, "alerts": [], "total_sd": 1.321, "total_ci95": [46.275, 51.116], "relegate_reason": [], "submitted_at": 1789006230, "scored_at": 1789010057, "rank": 2149}, {"candidate_id": "ODC-A1AA6B", "res_at": 1789205090, "skeleton": "SOWUIWORWIFCOR", "hf_user": "Bio-JS", "display_name": "0912-S1-anil_CN_Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.645, "axes": {"activity": 14.04, "binding": 13.55, "selectivity": 9.73, "admet": 5.13, "novelty": 3.08, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 7.03, "LE": 0.438, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.42, "herg": 0.697, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.442479725129534, "aff_pf": -1.0332135756810505, "aff_hs": 0.4025100568930308, "repeats_pf": {"runs": 3, "values": [-1.0129, -1.0476, -1.0391], "mean": -1.0332, "spread": 0.0347}, "repeats_hs": {"runs": 3, "values": [0.4123, 0.4209, 0.3743], "mean": 0.4025, "spread": 0.0467}, "at": 1789205090}, "tier": 1, "alerts": [], "total_sd": 0.216, "total_ci95": [48.265, 49.026], "relegate_reason": [], "submitted_at": 1789177523, "scored_at": 1789205090, "rank": 2150}, {"candidate_id": "ODC-565090", "res_at": 1787025865, "skeleton": "BXRUEVKRSWOGRZ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.635, "axes": {"activity": 9.34, "binding": 15.98, "selectivity": 10.36, "admet": 4.95, "novelty": 4.51, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.16, "fraction": 0.311}, "binding": {"pIC50": 7.4, "LE": 0.441, "potency_term": 0.799, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.799}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.160102338701282, "aff_pf": -1.3974210421244304, "aff_hs": -0.10098678867022197, "repeats_pf": {"runs": 3, "values": [-1.3713, -1.3972, -1.4238], "mean": -1.3974, "spread": 0.0525}, "repeats_hs": {"runs": 3, "values": [-0.2329, 0.153, -0.223], "mean": -0.101, "spread": 0.3859}, "at": 1787025865}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025163, "scored_at": 1787025865, "alerts": [], "rank": 2151}, {"candidate_id": "ODC-1044EB", "res_at": 1789968184, "skeleton": "VTUBIRRUGIWJPI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.623, "axes": {"activity": 17.97, "binding": 13.8, "selectivity": 6.14, "admet": 4.9, "novelty": 3.51, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.678, "fraction": 0.599}, "binding": {"pIC50": 7.07, "LE": 0.404, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.445, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.108, "ld50-zhu": 0.496, "herg": 0.941, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "2", "pAct_q10": 5.678079966253158, "aff_pf": -1.0702192783355713, "aff_hs": -0.18075772623221079, "repeats_pf": {"runs": 3, "values": [-1.1112, -1.0628, -1.0367], "mean": -1.0702, "spread": 0.0745}, "repeats_hs": {"runs": 3, "values": [-0.2783, -0.2116, -0.0523], "mean": -0.1808, "spread": 0.2261}, "at": 1789968184}, "tier": 1, "alerts": [], "total_sd": 0.512, "total_ci95": [47.759, 49.499], "relegate_reason": [], "submitted_at": 1789918909, "scored_at": 1789968184, "rank": 2152}, {"candidate_id": "ODC-B7EEB5", "res_at": 1788190421, "skeleton": "VMWRJJRSHUJYGD", "hf_user": "Ku-ku", "display_name": "KK-M-0831-266", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 48.612, "axes": {"activity": 16.52, "binding": 11.75, "selectivity": 11.52, "admet": 2.98, "novelty": 4.05, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.591, "fraction": 0.551}, "binding": {"pIC50": 6.76, "LE": 0.343, "potency_term": 0.587, "efficiency_cap": 1.0}, "selectivity": {"fold": 91.4, "selectivity_term": 0.98, "target_engagement": 0.587}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.473, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.59, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "0", "pAct_q10": 5.5909343215772545, "aff_pf": -0.7623496254285177, "aff_hs": 1.1986502408981323, "repeats_pf": {"runs": 3, "values": [-0.8053, -0.7393, -0.7424], "mean": -0.7623, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [1.2453, 1.2214, 1.1293], "mean": 1.1987, "spread": 0.1159}, "at": 1788190421}, "tier": 1, "alerts": [], "total_sd": 0.436, "total_ci95": [47.905, 49.605], "relegate_reason": [], "submitted_at": 1788186823, "scored_at": 1788190421, "rank": 2153}, {"candidate_id": "ODC-64E8AF", "res_at": 1789908478, "skeleton": "WQUBWDYROGGMMZ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 48.577, "axes": {"activity": 15.17, "binding": 13.8, "selectivity": 7.55, "admet": 5.51, "novelty": 3.2, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 7.07, "LE": 0.44, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.903, "ld50-zhu": 0.431, "herg": 0.307, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "2", "pAct_q10": 5.510255543539638, "aff_pf": -1.0699539581934612, "aff_hs": 0.024479687834779423, "repeats_pf": {"runs": 3, "values": [-1.0279, -1.0429, -1.139], "mean": -1.07, "spread": 0.111}, "repeats_hs": {"runs": 3, "values": [0.0144, 0.0153, 0.0438], "mean": 0.0245, "spread": 0.0295}, "at": 1789908478}, "tier": 1, "alerts": [], "total_sd": 0.681, "total_ci95": [47.616, 50.185], "relegate_reason": [], "submitted_at": 1789828734, "scored_at": 1789908478, "rank": 2154}, {"candidate_id": "ODC-289E56", "res_at": 1787054094, "skeleton": "HDAOBESMCFYXFF", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 48.522, "axes": {"activity": 11.99, "binding": 14.27, "selectivity": 9.68, "admet": 5.57, "novelty": 3.98, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.319, "fraction": 0.4}, "binding": {"pIC50": 7.14, "LE": 0.391, "potency_term": 0.713, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.8, "selectivity_term": 0.679, "target_engagement": 0.713}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.552, "cyp3a4-substrate-carbonmangels": 0.785, "ld50-zhu": 0.495, "herg": 0.683, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.319431466654299, "aff_pf": -1.1399149497350056, "aff_hs": 0.21777843435605368, "repeats_pf": {"runs": 3, "values": [-1.1981, -1.1459, -1.0758], "mean": -1.1399, "spread": 0.1223}, "repeats_hs": {"runs": 3, "values": [0.2018, 0.2139, 0.2376], "mean": 0.2178, "spread": 0.0357}, "at": 1787054094}, "tier": 1, "relegate_reason": [], "submitted_at": 1787053614, "scored_at": 1787054094, "alerts": [], "rank": 2155}, {"candidate_id": "ODC-E333BE", "res_at": 1787014496, "skeleton": "KVOMTSIAYSTUAZ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.516, "axes": {"activity": 25.01, "binding": 8.24, "selectivity": 1.17, "admet": 5.57, "novelty": 4.78, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.101, "fraction": 0.834}, "binding": {"pIC50": 6.26, "LE": 0.295, "potency_term": 0.418, "efficiency_cap": 0.985}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.667, "ld50-zhu": 0.409, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 6.100832151999428, "aff_pf": -0.2551027337710063, "aff_hs": 0.023520549138387043, "repeats_pf": {"runs": 3, "values": [-0.1928, -0.1976, -0.3748], "mean": -0.2551, "spread": 0.182}, "repeats_hs": {"runs": 3, "values": [0.0311, -0.121, 0.1605], "mean": 0.0235, "spread": 0.2814}, "at": 1787014496}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013611, "scored_at": 1787014496, "alerts": [], "rank": 2156}, {"candidate_id": "ODC-538BC7", "res_at": 1786925976, "skeleton": "JJOMUOIMMPQTCO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 48.513, "axes": {"activity": 16.51, "binding": 12.39, "selectivity": 9.36, "admet": 4.56, "novelty": 3.04, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.59, "fraction": 0.55}, "binding": {"pIC50": 6.86, "LE": 0.348, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.4, "selectivity_term": 0.756, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.141, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.519, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.699, "herg": 0.557, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "1", "pAct_q10": 5.59030365620561, "aff_pf": -0.858408530553182, "aff_hs": 0.6527306238810221, "repeats_pf": {"runs": 3, "values": [-0.864, -0.8675, -0.8438], "mean": -0.8584, "spread": 0.0237}, "repeats_hs": {"runs": 3, "values": [0.6355, 0.7029, 0.6198], "mean": 0.6527, "spread": 0.0832}, "at": 1786925976}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923294, "scored_at": 1786925976, "alerts": [], "rank": 2157}, {"candidate_id": "ODC-FF9D7F", "res_at": 1787245620, "skeleton": "SEHLQPVIPSIWTB", "hf_user": "1Dmeds", "display_name": "ODC26-R15-17", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 48.5, "axes": {"activity": 14.93, "binding": 15.73, "selectivity": 6.18, "admet": 3.7, "novelty": 4.48, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.393, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.417, "ld50-zhu": 0.559, "herg": 0.073, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.495758820917549, "aff_pf": -1.3596172332763672, "aff_hs": -0.5734090407689413, "repeats_pf": {"runs": 3, "values": [-1.4101, -1.3909, -1.2779], "mean": -1.3596, "spread": 0.1322}, "repeats_hs": {"runs": 3, "values": [-0.4749, -0.8262, -0.4191], "mean": -0.5734, "spread": 0.4071}, "at": 1787245620}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238599, "scored_at": 1787245620, "alerts": [], "rank": 2158}, {"candidate_id": "ODC-836C43", "res_at": 1786937685, "skeleton": "GFKRCVTUAUWCGP", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 48.499, "axes": {"activity": 18.27, "binding": 13.89, "selectivity": 6.1, "admet": 4.25, "novelty": 3.07, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.696, "fraction": 0.609}, "binding": {"pIC50": 7.08, "LE": 0.347, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.439, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.76, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.97, "cyp2c9-veith": 0.512, "cyp3a4-substrate-carbonmangels": 0.45, "ld50-zhu": 0.463, "herg": 0.088, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.696267545651735, "aff_pf": -1.0840957164764404, "aff_hs": -0.20637700955073038, "repeats_pf": {"runs": 3, "values": [-1.0429, -1.0659, -1.1436], "mean": -1.0841, "spread": 0.1007}, "repeats_hs": {"runs": 3, "values": [-0.1635, -0.3769, -0.0787], "mean": -0.2064, "spread": 0.2982}, "at": 1786937685}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926500, "scored_at": 1786937685, "alerts": [], "rank": 2159}, {"candidate_id": "ODC-559545", "res_at": 1789118017, "skeleton": "QNZKGUCKFWXKLM", "hf_user": "Bio-JS", "display_name": "0911-S1-anil_4", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.499, "axes": {"activity": 14.78, "binding": 13.1, "selectivity": 9.76, "admet": 4.85, "novelty": 3.27, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 6.96, "LE": 0.398, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.0, "selectivity_term": 0.745, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.534, "herg": 0.518, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.486589255588224, "aff_pf": -0.9644895593325297, "aff_hs": 0.5264856020609537, "repeats_pf": {"runs": 3, "values": [-0.9694, -0.9728, -0.9513], "mean": -0.9645, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [0.5807, 0.6098, 0.389], "mean": 0.5265, "spread": 0.2207}, "at": 1789118017}, "tier": 1, "alerts": [], "total_sd": 0.397, "total_ci95": [47.626, 49.126], "relegate_reason": [], "submitted_at": 1789117006, "scored_at": 1789118017, "rank": 2160}, {"candidate_id": "ODC-FE937C", "res_at": 1786933718, "skeleton": "VDTIRRYWHBWZLP", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.494, "axes": {"activity": 13.22, "binding": 16.82, "selectivity": 7.35, "admet": 4.98, "novelty": 2.31, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 5.393, "fraction": 0.441}, "binding": {"pIC50": 7.52, "LE": 0.396, "potency_term": 0.841, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.437, "target_engagement": 0.841}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.423, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.725, "novelty": 0.275}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.393050550550759, "aff_pf": -1.5234917402267456, "aff_hs": -0.6496758659680685, "repeats_pf": {"runs": 3, "values": [-1.5346, -1.4825, -1.5534], "mean": -1.5235, "spread": 0.0709}, "repeats_hs": {"runs": 3, "values": [-0.6821, -0.6871, -0.5798], "mean": -0.6497, "spread": 0.1073}, "at": 1786933718}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926358, "scored_at": 1786933718, "alerts": [], "rank": 2161}, {"candidate_id": "ODC-F0266E", "res_at": 1787565841, "skeleton": "FXYJXYLYNXVPDG", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC1(c2··········2)CC1", "total": 48.487, "axes": {"activity": 19.01, "binding": 11.06, "selectivity": 8.52, "admet": 2.9, "novelty": 4.25, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.741, "fraction": 0.634}, "binding": {"pIC50": 6.9, "LE": 0.262, "potency_term": 0.632, "efficiency_cap": 0.875}, "selectivity": {"fold": 22.3, "selectivity_term": 0.674, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.331, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.192, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.717, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.7405868452651365, "aff_pf": -0.8958953619003296, "aff_hs": 0.45212435722351074, "repeats_pf": {"runs": 3, "values": [-0.7789, -0.9736, -0.9352], "mean": -0.8959, "spread": 0.1947}, "repeats_hs": {"runs": 3, "values": [0.415, 0.4391, 0.5022], "mean": 0.4521, "spread": 0.0872}, "at": 1787565841}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557223, "scored_at": 1787565841, "alerts": [], "rank": 2162}, {"candidate_id": "ODC-A40650", "res_at": 1787379800, "skeleton": "AXRKJHJUQNWFDX", "hf_user": "1Dmeds", "display_name": "ODC26-G27", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········2)CC1", "total": 48.481, "axes": {"activity": 28.14, "binding": 7.04, "selectivity": 0.0, "admet": 3.57, "novelty": 6.48, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 6.288, "fraction": 0.938}, "binding": {"pIC50": 6.29, "LE": 0.246, "potency_term": 0.429, "efficiency_cap": 0.82}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.394, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.907, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 6.288100504773879, "aff_pf": -0.2878544529279073, "aff_hs": -0.9475163221359253, "repeats_pf": {"runs": 3, "values": [-0.3112, -0.2863, -0.266], "mean": -0.2879, "spread": 0.0451}, "repeats_hs": {"runs": 3, "values": [-0.9366, -1.1501, -0.7559], "mean": -0.9475, "spread": 0.3942}, "at": 1787379800}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372833, "scored_at": 1787379800, "alerts": [], "rank": 2163}, {"candidate_id": "ODC-C53BDB", "res_at": 1787413087, "skeleton": "XCXVSOLKKJLUSB", "hf_user": "takutoyo", "display_name": "PfD14-09", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Si](C··········nc2n1", "total": 48.481, "axes": {"activity": 15.46, "binding": 11.52, "selectivity": 10.12, "admet": 5.81, "novelty": 3.73, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.528, "fraction": 0.515}, "binding": {"pIC50": 6.73, "LE": 0.355, "potency_term": 0.576, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.0, "selectivity_term": 0.878, "target_engagement": 0.576}, "admet": {"geometric_mean": 0.672, "per_endpoint": {"solubility-aqsoldb": 0.512, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.746, "cyp3a4-substrate-carbonmangels": 0.998, "ld50-zhu": 0.466, "herg": 0.64, "dili": 0.184}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.5275108097032435, "aff_pf": -0.7280006011327108, "aff_hs": 1.0282022356987, "repeats_pf": {"runs": 3, "values": [-0.6965, -0.9069, -0.5806], "mean": -0.728, "spread": 0.3263}, "repeats_hs": {"runs": 3, "values": [1.0953, 1.0493, 0.94], "mean": 1.0282, "spread": 0.1553}, "at": 1787413087}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787408045, "scored_at": 1787413087, "rank": 2164}, {"candidate_id": "ODC-B36778", "res_at": 1788060868, "skeleton": "NNJPLFPUXIRQQT", "hf_user": "Bio-JS", "display_name": "10 A2 2-CN/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.476, "axes": {"activity": 21.39, "binding": 13.15, "selectivity": 3.16, "admet": 2.99, "novelty": 5.19, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.884, "fraction": 0.713}, "binding": {"pIC50": 7.26, "LE": 0.262, "potency_term": 0.753, "efficiency_cap": 0.873}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.436, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.804, "herg": 0.05, "dili": 0.122}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.8836518748512265, "aff_pf": -1.2603756189346313, "aff_hs": -0.8415324290593466, "repeats_pf": {"runs": 3, "values": [-1.1494, -1.3246, -1.3071], "mean": -1.2604, "spread": 0.1752}, "repeats_hs": {"runs": 3, "values": [-0.6366, -1.0758, -0.8123], "mean": -0.8415, "spread": 0.4392}, "at": 1788060868}, "tier": 1, "alerts": [], "total_sd": 1.115, "total_ci95": [46.539, 50.589], "relegate_reason": [], "submitted_at": 1788017356, "scored_at": 1788060868, "rank": 2165}, {"candidate_id": "ODC-A8D119", "res_at": 1788223088, "skeleton": "SZVQJMFIXJMYBN", "hf_user": "Bio-JS", "display_name": "0901-S1 싸이에탄-바이닐 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CC1(c··········)CSC1", "total": 48.468, "axes": {"activity": 13.42, "binding": 13.84, "selectivity": 11.09, "admet": 2.79, "novelty": 4.73, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.26, "LE": 0.276, "potency_term": 0.752, "efficiency_cap": 0.92}, "selectivity": {"fold": 29.9, "selectivity_term": 0.738, "target_engagement": 0.752}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.388, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.228}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "0", "pAct_q10": 5.405069471420956, "aff_pf": -1.2558690706888835, "aff_hs": 0.21958294014135996, "repeats_pf": {"runs": 3, "values": [-1.3544, -1.067, -1.3463], "mean": -1.2559, "spread": 0.2874}, "repeats_hs": {"runs": 3, "values": [-0.0151, 0.4455, 0.2284], "mean": 0.2196, "spread": 0.4606}, "at": 1788223088}, "tier": 1, "alerts": [], "total_sd": 2.215, "total_ci95": [44.159, 52.316], "relegate_reason": [], "submitted_at": 1788222286, "scored_at": 1788223088, "rank": 2166}, {"candidate_id": "ODC-34565A", "res_at": 1788224468, "skeleton": "IJJZBJFTEPJHQT", "hf_user": "Bio-JS", "display_name": "0901-S1 코어메틸 -> Cl x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 48.463, "axes": {"activity": 19.15, "binding": 13.63, "selectivity": 5.86, "admet": 2.68, "novelty": 4.38, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.749, "fraction": 0.638}, "binding": {"pIC50": 7.18, "LE": 0.281, "potency_term": 0.727, "efficiency_cap": 0.937}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.437, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.457, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.74903854324077, "aff_pf": -1.1814864873886108, "aff_hs": -0.3753257989883423, "repeats_pf": {"runs": 3, "values": [-1.2007, -1.1419, -1.2019], "mean": -1.1815, "spread": 0.06}, "repeats_hs": {"runs": 3, "values": [-0.4184, -0.3858, -0.3219], "mean": -0.3753, "spread": 0.0965}, "at": 1788224468}, "tier": 1, "alerts": [], "total_sd": 0.418, "total_ci95": [47.676, 49.181], "relegate_reason": [], "submitted_at": 1788222321, "scored_at": 1788224468, "rank": 2167}, {"candidate_id": "ODC-3B7679", "res_at": 1789177263, "skeleton": "QGTPVGHWPVJZGC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.46, "axes": {"activity": 16.64, "binding": 14.1, "selectivity": 7.39, "admet": 4.34, "novelty": 3.04, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.598, "fraction": 0.555}, "binding": {"pIC50": 7.11, "LE": 0.39, "potency_term": 0.705, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.598351678280544, "aff_pf": -1.1149413585662842, "aff_hs": -0.06705145041147868, "repeats_pf": {"runs": 3, "values": [-1.0523, -1.1475, -1.145], "mean": -1.1149, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [-0.2383, -0.0648, 0.102], "mean": -0.0671, "spread": 0.3403}, "at": 1789177263}, "tier": 1, "alerts": [], "total_sd": 0.793, "total_ci95": [46.974, 49.976], "relegate_reason": [], "submitted_at": 1789174017, "scored_at": 1789177263, "rank": 2168}, {"candidate_id": "ODC-3B7A99", "res_at": 1788764591, "skeleton": "RYVOSHIMTSNVPB", "hf_user": "Bio-JS", "display_name": "0906-S1-07 SCHF2/CN/R6-F/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········2)c1F", "total": 48.446, "axes": {"activity": 17.87, "binding": 13.81, "selectivity": 5.24, "admet": 4.03, "novelty": 4.83, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.672, "fraction": 0.596}, "binding": {"pIC50": 7.07, "LE": 0.359, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.379, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.53, "herg": 0.39, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.672479098709006, "aff_pf": -1.0712860822677612, "aff_hs": -0.3130333125591278, "repeats_pf": {"runs": 3, "values": [-1.0812, -1.0964, -1.0363], "mean": -1.0713, "spread": 0.0601}, "repeats_hs": {"runs": 3, "values": [-0.3255, -0.3288, -0.2848], "mean": -0.313, "spread": 0.0439}, "at": 1788764591}, "tier": 1, "alerts": [], "total_sd": 0.363, "total_ci95": [47.692, 49.0], "relegate_reason": [], "submitted_at": 1788665908, "scored_at": 1788764591, "rank": 2169}, {"candidate_id": "ODC-D7E86A", "res_at": 1789388640, "skeleton": "BLSHWJFRLFUWNZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 48.43, "axes": {"activity": 9.82, "binding": 16.34, "selectivity": 9.59, "admet": 4.35, "novelty": 5.17, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.189, "fraction": 0.327}, "binding": {"pIC50": 7.45, "LE": 0.365, "potency_term": 0.817, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.817}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.918, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.695, "herg": 0.121, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.18930346699025, "aff_pf": -1.4510944684346516, "aff_hs": -0.2775001923243205, "repeats_pf": {"runs": 3, "values": [-1.4522, -1.4754, -1.4257], "mean": -1.4511, "spread": 0.0497}, "repeats_hs": {"runs": 3, "values": [-0.2507, -0.3451, -0.2368], "mean": -0.2775, "spread": 0.1083}, "at": 1789388640}, "tier": 1, "alerts": [], "total_sd": 0.345, "total_ci95": [47.779, 49.124], "relegate_reason": [], "submitted_at": 1789388441, "scored_at": 1789388640, "rank": 2170}, {"candidate_id": "ODC-9A4E27", "res_at": 1786941139, "skeleton": "BDOQDKGILSAKET", "hf_user": "1Dmeds", "display_name": "ODC26-R2V-02", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.403, "axes": {"activity": 15.13, "binding": 14.53, "selectivity": 8.91, "admet": 4.75, "novelty": 2.09, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.504}, "binding": {"pIC50": 7.18, "LE": 0.41, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.613, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.44, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.549, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.442, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.712, "novelty": 0.288}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.507726425814965, "aff_pf": -1.179341157277425, "aff_hs": 0.04763349890708923, "repeats_pf": {"runs": 3, "values": [-1.2985, -1.2234, -1.016], "mean": -1.1793, "spread": 0.2825}, "repeats_hs": {"runs": 3, "values": [-0.0955, -0.0244, 0.2628], "mean": 0.0476, "spread": 0.3583}, "at": 1786941139}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930993, "scored_at": 1786941139, "alerts": [], "rank": 2171}, {"candidate_id": "ODC-243892", "res_at": 1788519954, "skeleton": "HEVSPMAPHDLRAM", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Me/p-SF5", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.401, "axes": {"activity": 11.19, "binding": 16.36, "selectivity": 9.18, "admet": 6.19, "novelty": 2.26, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.818, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.2, "selectivity_term": 0.561, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.907, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.589, "ld50-zhu": 0.806, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.271218450119978, "aff_pf": -1.4542776346206665, "aff_hs": -0.3324403564135234, "repeats_pf": {"runs": 3, "values": [-1.4557, -1.4745, -1.4326], "mean": -1.4543, "spread": 0.0419}, "repeats_hs": {"runs": 3, "values": [-0.3854, -0.2702, -0.3417], "mean": -0.3324, "spread": 0.1153}, "at": 1788519954}, "tier": 1, "alerts": [], "total_sd": 0.306, "total_ci95": [47.778, 49.043], "relegate_reason": [], "submitted_at": 1788487904, "scored_at": 1788519954, "rank": 2172}, {"candidate_id": "ODC-20ABA1", "res_at": 1788777324, "skeleton": "BNRLRFZAQRYPKB", "hf_user": "Bio-JS", "display_name": "0906-S1-28 SCHF2/CN/R6-Me/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········Cl)c1", "total": 48.393, "axes": {"activity": 18.39, "binding": 12.61, "selectivity": 7.38, "admet": 3.35, "novelty": 4.2, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.703, "fraction": 0.613}, "binding": {"pIC50": 6.89, "LE": 0.35, "potency_term": 0.63, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.63}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.465, "herg": 0.25, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.703189578283118, "aff_pf": -0.8914361000061035, "aff_hs": 0.27896691858768463, "repeats_pf": {"runs": 3, "values": [-1.0354, -0.7884, -0.8505], "mean": -0.8914, "spread": 0.2471}, "repeats_hs": {"runs": 3, "values": [0.2054, 0.1997, 0.4318], "mean": 0.279, "spread": 0.2322}, "at": 1788777324}, "tier": 1, "alerts": [], "total_sd": 1.425, "total_ci95": [46.303, 51.654], "relegate_reason": [], "submitted_at": 1788666100, "scored_at": 1788777324, "rank": 2173}, {"candidate_id": "ODC-45F9E1", "res_at": 1789304273, "skeleton": "XIDMKQHRRXKRSL", "hf_user": "trblnfxn", "display_name": "NC-WIN-04_4FPhenoxyEth", "model_name": "Hermes-500Da-Champion-v7", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.366, "axes": {"activity": 22.44, "binding": 9.06, "selectivity": 5.97, "admet": 2.92, "novelty": 4.53, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.946, "fraction": 0.748}, "binding": {"pIC50": 6.55, "LE": 0.264, "potency_term": 0.515, "efficiency_cap": 0.879}, "selectivity": {"fold": 14.4, "selectivity_term": 0.579, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.651, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.946177706783857, "aff_pf": -0.5460743506749471, "aff_hs": 0.612580806016922, "repeats_pf": {"runs": 3, "values": [-0.5464, -0.5495, -0.5423], "mean": -0.5461, "spread": 0.0073}, "repeats_hs": {"runs": 3, "values": [0.648, 0.7634, 0.4264], "mean": 0.6126, "spread": 0.3369}, "at": 1789304273}, "tier": 1, "alerts": [], "total_sd": 0.399, "total_ci95": [47.749, 49.143], "relegate_reason": [], "submitted_at": 1789299100, "scored_at": 1789304273, "rank": 2174}, {"candidate_id": "ODC-CEA5C8", "res_at": 1788150357, "skeleton": "ZEIFIYIARDWBEO", "hf_user": "Bio-JS", "display_name": "M4 음성대조 C2 황->질소(NH-CHF2)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.365, "axes": {"activity": 14.31, "binding": 13.68, "selectivity": 8.18, "admet": 5.68, "novelty": 3.54, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 7.05, "LE": 0.42, "potency_term": 0.684, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.684}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.567, "cyp3a4-substrate-carbonmangels": 0.734, "ld50-zhu": 0.36, "herg": 0.815, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.458770825962508, "aff_pf": -1.0519893169403076, "aff_hs": 0.14395238955815634, "repeats_pf": {"runs": 3, "values": [-0.996, -1.017, -1.1429], "mean": -1.052, "spread": 0.1469}, "repeats_hs": {"runs": 3, "values": [0.1365, 0.0935, 0.2019], "mean": 0.144, "spread": 0.1083}, "at": 1788150357}, "tier": 1, "alerts": [], "total_sd": 0.869, "total_ci95": [46.968, 50.162], "relegate_reason": [], "submitted_at": 1788139393, "scored_at": 1788150357, "rank": 2175}, {"candidate_id": "ODC-36F7A5", "res_at": 1787162517, "skeleton": "CGWZRVPQIFCPIQ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········cccc1", "total": 48.352, "axes": {"activity": 14.14, "binding": 11.95, "selectivity": 13.43, "admet": 2.63, "novelty": 3.21, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.471}, "binding": {"pIC50": 7.01, "LE": 0.267, "potency_term": 0.671, "efficiency_cap": 0.89}, "selectivity": {"fold": 228.3, "selectivity_term": 1.0, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.526, "hia-hou": 1.0, "bioavailability-ma": 0.706, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.718, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 5.4485336418885835, "aff_pf": -1.0143555800120037, "aff_hs": 1.3442141215006511, "repeats_pf": {"runs": 3, "values": [-0.9487, -0.9878, -1.1065], "mean": -1.0144, "spread": 0.1578}, "repeats_hs": {"runs": 3, "values": [1.3776, 1.4032, 1.2518], "mean": 1.3442, "spread": 0.1515}, "at": 1787162517}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151388, "scored_at": 1787162517, "alerts": [], "rank": 2176}, {"candidate_id": "ODC-4DB8CA", "res_at": 1787607043, "skeleton": "DHMJKFVTOMNISM", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCC1(c··········2)CC1", "total": 48.352, "axes": {"activity": 17.32, "binding": 11.32, "selectivity": 10.4, "admet": 2.91, "novelty": 3.95, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 6.97, "LE": 0.258, "potency_term": 0.658, "efficiency_cap": 0.861}, "selectivity": {"fold": 38.2, "selectivity_term": 0.791, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.321, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.347}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.638913106513168, "aff_pf": -0.9726706743240356, "aff_hs": 0.6090752879778544, "repeats_pf": {"runs": 3, "values": [-0.976, -0.916, -1.026], "mean": -0.9727, "spread": 0.11}, "repeats_hs": {"runs": 3, "values": [0.6413, 0.6883, 0.4976], "mean": 0.6091, "spread": 0.1907}, "at": 1787607043}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605360, "scored_at": 1787607043, "alerts": [], "rank": 2177}, {"candidate_id": "ODC-D1352C", "res_at": 1789441120, "skeleton": "NNCFNSQVLCKVRN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 48.337, "axes": {"activity": 11.62, "binding": 16.7, "selectivity": 5.33, "admet": 5.56, "novelty": 5.57, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.297, "fraction": 0.387}, "binding": {"pIC50": 7.5, "LE": 0.411, "potency_term": 0.835, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.319, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.904, "cyp2c9-veith": 0.256, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.588, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.29717959519502, "aff_pf": -1.5046314398447673, "aff_hs": -0.8657042582829794, "repeats_pf": {"runs": 3, "values": [-1.511, -1.5418, -1.4611], "mean": -1.5046, "spread": 0.0808}, "repeats_hs": {"runs": 3, "values": [-0.7998, -0.8841, -0.9133], "mean": -0.8657, "spread": 0.1135}, "at": 1789441120}, "tier": 1, "alerts": [], "total_sd": 0.483, "total_ci95": [47.408, 49.515], "relegate_reason": [], "submitted_at": 1789435977, "scored_at": 1789441120, "rank": 2178}, {"candidate_id": "ODC-F7698E", "res_at": 1788222529, "skeleton": "MESHUMZMGCDDBX", "hf_user": "Bio-JS", "display_name": "0901-S1 사이클로프로필-에타이닐 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········2)CC1", "total": 48.328, "axes": {"activity": 19.95, "binding": 11.28, "selectivity": 7.08, "admet": 2.89, "novelty": 4.49, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.797, "fraction": 0.665}, "binding": {"pIC50": 6.88, "LE": 0.269, "potency_term": 0.628, "efficiency_cap": 0.898}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.191}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.79723597892729, "aff_pf": -0.8834383487701416, "aff_hs": 0.24474974970022836, "repeats_pf": {"runs": 3, "values": [-0.7515, -0.9469, -0.9519], "mean": -0.8834, "spread": 0.2003}, "repeats_hs": {"runs": 3, "values": [0.3262, 0.2137, 0.1943], "mean": 0.2447, "spread": 0.1318}, "at": 1788222529}, "tier": 1, "alerts": [], "total_sd": 1.004, "total_ci95": [46.861, 49.812], "relegate_reason": [], "submitted_at": 1788222261, "scored_at": 1788222529, "rank": 2179}, {"candidate_id": "ODC-1C7C95", "res_at": 1789103152, "skeleton": "QWTKBERTLWCPHB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.314, "axes": {"activity": 14.44, "binding": 14.83, "selectivity": 7.13, "admet": 5.38, "novelty": 3.41, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.481}, "binding": {"pIC50": 7.22, "LE": 0.396, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.481, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.406, "herg": 0.477, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.4666128451519915, "aff_pf": -1.2238882382710774, "aff_hs": -0.2620716194311778, "repeats_pf": {"runs": 3, "values": [-1.265, -1.1906, -1.2161], "mean": -1.2239, "spread": 0.0743}, "repeats_hs": {"runs": 3, "values": [-0.3988, -0.0797, -0.3078], "mean": -0.2621, "spread": 0.3192}, "at": 1789103152}, "tier": 1, "alerts": [], "total_sd": 0.706, "total_ci95": [47.163, 49.825], "relegate_reason": [], "submitted_at": 1789093269, "scored_at": 1789103152, "rank": 2180}, {"candidate_id": "ODC-904DF8", "res_at": 1786945656, "skeleton": "DTKPZWKBSCDJGL", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCSc1n··········)n2n1", "total": 48.313, "axes": {"activity": 13.66, "binding": 14.21, "selectivity": 10.19, "admet": 3.28, "novelty": 4.03, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.455}, "binding": {"pIC50": 7.13, "LE": 0.376, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.2, "selectivity_term": 0.717, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.414, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.703, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.419530612944306, "aff_pf": -1.1318189700444539, "aff_hs": 0.3028571705023448, "repeats_pf": {"runs": 3, "values": [-1.0314, -1.1883, -1.1758], "mean": -1.1318, "spread": 0.1569}, "repeats_hs": {"runs": 3, "values": [0.4298, 0.135, 0.3438], "mean": 0.3029, "spread": 0.2947}, "at": 1786945656}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934287, "scored_at": 1786945656, "alerts": [], "rank": 2181}, {"candidate_id": "ODC-FCEDE8", "res_at": 1786830464, "skeleton": "QAIVCJVWIKBMES", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.306, "axes": {"activity": 13.93, "binding": 14.01, "selectivity": 9.81, "admet": 5.41, "novelty": 1.75, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.464}, "binding": {"pIC50": 7.1, "LE": 0.442, "potency_term": 0.7, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.2, "selectivity_term": 0.7, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.367, "cyp3a4-substrate-carbonmangels": 0.477, "ld50-zhu": 0.334, "herg": 0.688, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.75, "novelty": 0.25}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "1", "pAct_q10": 5.435986227542966, "aff_pf": -1.1009378830591838, "aff_hs": 0.29965292910734814, "repeats_pf": {"runs": 3, "values": [-1.0418, -1.126, -1.135], "mean": -1.1009, "spread": 0.0931}, "repeats_hs": {"runs": 3, "values": [0.1841, 0.3745, 0.3404], "mean": 0.2997, "spread": 0.1904}, "at": 1786830464}, "tier": 1, "relegate_reason": [], "submitted_at": 1786795796, "scored_at": 1786830464, "alerts": [], "rank": 2182}, {"candidate_id": "ODC-89D4A2", "res_at": 1788426673, "skeleton": "WNXYLKHTCMRKII", "hf_user": "Bio-JS", "display_name": "0903-S1-05 oF_mF/cPr/spiroSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.305, "axes": {"activity": 16.93, "binding": 13.51, "selectivity": 7.7, "admet": 3.29, "novelty": 4.74, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.564}, "binding": {"pIC50": 7.31, "LE": 0.263, "potency_term": 0.769, "efficiency_cap": 0.878}, "selectivity": {"fold": 10.0, "selectivity_term": 0.501, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.356, "hia-hou": 1.0, "bioavailability-ma": 0.984, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.273, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.807, "herg": 0.05, "dili": 0.168}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "0", "pAct_q10": 5.6158839083383, "aff_pf": -1.307406226793925, "aff_hs": -0.30592742562294006, "repeats_pf": {"runs": 3, "values": [-1.3195, -1.1658, -1.437], "mean": -1.3074, "spread": 0.2713}, "repeats_hs": {"runs": 3, "values": [-0.2753, -0.4516, -0.1908], "mean": -0.3059, "spread": 0.2608}, "at": 1788426673}, "tier": 1, "alerts": [], "total_sd": 1.691, "total_ci95": [45.051, 51.793], "relegate_reason": [], "submitted_at": 1788362694, "scored_at": 1788426673, "rank": 2183}, {"candidate_id": "ODC-3303E2", "res_at": 1787221146, "skeleton": "GSBXTCXQULLTIW", "hf_user": "takutoyo", "display_name": "PfD9-A4", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 48.293, "axes": {"activity": 10.53, "binding": 15.13, "selectivity": 10.66, "admet": 4.64, "novelty": 4.42, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.232, "fraction": 0.351}, "binding": {"pIC50": 7.27, "LE": 0.398, "potency_term": 0.757, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.653, "herg": 0.307, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.232048180047482, "aff_pf": -1.2699413299560547, "aff_hs": 0.1387236366669337, "repeats_pf": {"runs": 3, "values": [-1.2496, -1.192, -1.3682], "mean": -1.2699, "spread": 0.1763}, "repeats_hs": {"runs": 3, "values": [0.0805, 0.0255, 0.3102], "mean": 0.1387, "spread": 0.2847}, "at": 1787221146}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218623, "scored_at": 1787221146, "alerts": [], "rank": 2184}, {"candidate_id": "ODC-7AF016", "res_at": 1787700461, "skeleton": "RDOSMQUVXLWJQW", "hf_user": "Moonweave", "display_name": "M5AI-HAL-CAND-03", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 48.289, "axes": {"activity": 20.01, "binding": 13.91, "selectivity": 4.13, "admet": 2.96, "novelty": 4.0, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.801, "fraction": 0.667}, "binding": {"pIC50": 7.09, "LE": 0.335, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.297, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 0.953, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.556, "herg": 0.05, "dili": 0.631}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.80076144434107, "aff_pf": -1.087160547574361, "aff_hs": -0.4939969579378764, "repeats_pf": {"runs": 3, "values": [-1.084, -1.0607, -1.1167], "mean": -1.0872, "spread": 0.056}, "repeats_hs": {"runs": 3, "values": [-0.4877, -0.5105, -0.4838], "mean": -0.494, "spread": 0.0267}, "at": 1787700461}, "tier": 1, "relegate_reason": [], "submitted_at": 1787699946, "scored_at": 1787700461, "alerts": [], "rank": 2185}, {"candidate_id": "ODC-DA5182", "res_at": 1787700081, "skeleton": "AVRAGHAXSSPKAQ", "hf_user": "Moonweave", "display_name": "M5AI-HAL-CAND-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 48.287, "axes": {"activity": 19.24, "binding": 14.41, "selectivity": 4.15, "admet": 3.1, "novelty": 4.01, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.754, "fraction": 0.641}, "binding": {"pIC50": 7.16, "LE": 0.338, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.278}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.754236176175884, "aff_pf": -1.161932150522868, "aff_hs": -0.5865756273269653, "repeats_pf": {"runs": 3, "values": [-1.154, -1.0752, -1.2566], "mean": -1.1619, "spread": 0.1815}, "repeats_hs": {"runs": 3, "values": [-0.6913, -0.684, -0.3845], "mean": -0.5866, "spread": 0.3068}, "at": 1787700081}, "tier": 1, "relegate_reason": [], "submitted_at": 1787699896, "scored_at": 1787700081, "alerts": [], "rank": 2186}, {"candidate_id": "ODC-58D621", "res_at": 1788549552, "skeleton": "OJNSWLWTCDKXDD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 48.274, "axes": {"activity": 16.56, "binding": 15.63, "selectivity": 5.54, "admet": 4.89, "novelty": 2.93, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.354, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.524, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.405, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "0", "pAct_q10": 5.593786839814155, "aff_pf": -1.3442678848902385, "aff_hs": -0.6354003349939982, "repeats_pf": {"runs": 3, "values": [-1.3553, -1.3424, -1.3351], "mean": -1.3443, "spread": 0.0202}, "repeats_hs": {"runs": 3, "values": [-0.545, -0.6889, -0.6723], "mean": -0.6354, "spread": 0.1439}, "at": 1788549552}, "tier": 1, "alerts": [], "total_sd": 0.313, "total_ci95": [47.748, 48.98], "relegate_reason": [], "submitted_at": 1788495900, "scored_at": 1788549552, "rank": 2187}, {"candidate_id": "ODC-254772", "res_at": 1789042314, "skeleton": "ACYJUAGXUIBHRS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.243, "axes": {"activity": 13.65, "binding": 15.32, "selectivity": 7.24, "admet": 5.11, "novelty": 3.76, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.3, "LE": 0.4, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.781, "cyp2c9-veith": 0.517, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.834, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.418884201767025, "aff_pf": -1.2976393699645996, "aff_hs": -0.35262101888656616, "repeats_pf": {"runs": 3, "values": [-1.2631, -1.2868, -1.3431], "mean": -1.2976, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [-0.353, -0.3138, -0.3911], "mean": -0.3526, "spread": 0.0773}, "at": 1789042314}, "tier": 1, "alerts": [], "total_sd": 0.468, "total_ci95": [47.366, 49.282], "relegate_reason": [], "submitted_at": 1789040179, "scored_at": 1789042314, "rank": 2188}, {"candidate_id": "ODC-B3B4E5", "res_at": 1788528640, "skeleton": "FLLJPQUQTNYLJJ", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 48.237, "axes": {"activity": 18.6, "binding": 11.96, "selectivity": 6.83, "admet": 4.53, "novelty": 3.59, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.716, "fraction": 0.62}, "binding": {"pIC50": 6.79, "LE": 0.358, "potency_term": 0.598, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.598}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.989, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.466, "herg": 0.252, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.715773362576323, "aff_pf": -0.7945018410682678, "aff_hs": 0.3480140070120494, "repeats_pf": {"runs": 3, "values": [-0.832, -0.7309, -0.8207], "mean": -0.7945, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [0.379, 0.3149, 0.3501], "mean": 0.348, "spread": 0.0641}, "at": 1788528640}, "tier": 1, "alerts": [], "total_sd": 0.434, "total_ci95": [47.553, 48.922], "relegate_reason": [], "submitted_at": 1788489532, "scored_at": 1788528640, "rank": 2189}, {"candidate_id": "ODC-4A7C0D", "res_at": 1786892445, "skeleton": "OFUZRRSLIRZBNG", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.233, "axes": {"activity": 11.2, "binding": 14.54, "selectivity": 12.46, "admet": 5.42, "novelty": 1.01, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.272, "fraction": 0.373}, "binding": {"pIC50": 7.18, "LE": 0.394, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.6, "selectivity_term": 0.856, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.834, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.704, "cyp3a4-substrate-carbonmangels": 0.229, "ld50-zhu": 0.469, "herg": 0.502, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.86, "novelty": 0.14}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.2717862060357215, "aff_pf": -1.1816203991572063, "aff_hs": 0.531288226445516, "repeats_pf": {"runs": 3, "values": [-1.2005, -1.1967, -1.1476], "mean": -1.1816, "spread": 0.0529}, "repeats_hs": {"runs": 3, "values": [0.5639, 0.4501, 0.5798], "mean": 0.5313, "spread": 0.1297}, "at": 1786892445}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878933, "scored_at": 1786892445, "alerts": [], "rank": 2190}, {"candidate_id": "ODC-F4D4D7", "res_at": 1786893705, "skeleton": "JMSOVBZLCKKGFX", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-007 70-point QC gate", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.229, "axes": {"activity": 15.27, "binding": 15.43, "selectivity": 6.49, "admet": 4.5, "novelty": 2.91, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 7.31, "LE": 0.418, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.421, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.902, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.709, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "2", "pAct_q10": 5.515920396060395, "aff_pf": -1.3142386674880981, "aff_hs": -0.47323261698087055, "repeats_pf": {"runs": 3, "values": [-1.3394, -1.2739, -1.3294], "mean": -1.3142, "spread": 0.0655}, "repeats_hs": {"runs": 3, "values": [-0.5828, -0.3864, -0.4505], "mean": -0.4732, "spread": 0.1964}, "at": 1786893705}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886644, "scored_at": 1786893705, "alerts": [], "rank": 2191}, {"candidate_id": "ODC-E877F3", "res_at": 1786935838, "skeleton": "QEGCBXMUWBWUJL", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.215, "axes": {"activity": 16.45, "binding": 16.01, "selectivity": 4.86, "admet": 3.49, "novelty": 4.07, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.548}, "binding": {"pIC50": 7.4, "LE": 0.406, "potency_term": 0.8, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.304, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.137, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.756, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.58680368629525, "aff_pf": -1.401062806447347, "aff_hs": -0.7938567797342936, "repeats_pf": {"runs": 3, "values": [-1.3476, -1.4377, -1.4179], "mean": -1.4011, "spread": 0.0901}, "repeats_hs": {"runs": 3, "values": [-0.5401, -0.9373, -0.9042], "mean": -0.7939, "spread": 0.3971}, "at": 1786935838}, "tier": 1, "relegate_reason": [], "submitted_at": 1786927631, "scored_at": 1786935838, "alerts": [], "rank": 2192}, {"candidate_id": "ODC-6967D5", "res_at": 1787269474, "skeleton": "UQGYUFQAIVEOAI", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(F)c(F)c(Nc3ccc(Br)c(F)c3)n2n1", "smiles_masked": null, "total": 48.211, "axes": {"activity": 12.17, "binding": 14.33, "selectivity": 9.37, "admet": 4.96, "novelty": 4.25, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 7.15, "LE": 0.445, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.3, "selectivity_term": 0.653, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.406, "herg": 0.867, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.330250550406664, "aff_pf": -1.1500723361968994, "aff_hs": 0.15677622457345328, "repeats_pf": {"runs": 3, "values": [-1.1655, -1.1392, -1.1455], "mean": -1.1501, "spread": 0.0262}, "repeats_hs": {"runs": 3, "values": [0.159, 0.1792, 0.1321], "mean": 0.1568, "spread": 0.0471}, "at": 1787269474}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269287, "scored_at": 1787269474, "alerts": [], "rank": 2193}, {"candidate_id": "ODC-77520E", "res_at": 1787410315, "skeleton": "ANQPNBNZGKIHGL", "hf_user": "Ku-ku", "display_name": "E4_sulfone", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.208, "axes": {"activity": 4.16, "binding": 16.12, "selectivity": 14.17, "admet": 6.88, "novelty": 3.31, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 4.849, "fraction": 0.139}, "binding": {"pIC50": 7.42, "LE": 0.423, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.3, "selectivity_term": 0.879, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.808, "ld50-zhu": 0.333, "herg": 0.411, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 4.849390565322376, "aff_pf": -1.4180270433425903, "aff_hs": 0.3403540551662445, "repeats_pf": {"runs": 3, "values": [-1.4977, -1.3096, -1.4467], "mean": -1.418, "spread": 0.188}, "repeats_hs": {"runs": 3, "values": [0.2196, 0.3742, 0.4273], "mean": 0.3404, "spread": 0.2077}, "at": 1787410315}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407697, "scored_at": 1787410315, "alerts": [], "rank": 2194}, {"candidate_id": "ODC-B6EF5D", "res_at": 1788234698, "skeleton": "JATHOJMZWHGCBG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 48.183, "axes": {"activity": 12.83, "binding": 14.49, "selectivity": 7.78, "admet": 5.3, "novelty": 4.9, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 7.17, "LE": 0.364, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.537, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.939, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.556, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.616, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.369975843913797, "aff_pf": -1.173234462738037, "aff_hs": -0.09951793650786082, "repeats_pf": {"runs": 3, "values": [-1.1431, -1.1564, -1.2202], "mean": -1.1732, "spread": 0.0771}, "repeats_hs": {"runs": 3, "values": [-0.1166, -0.0682, -0.1138], "mean": -0.0995, "spread": 0.0484}, "at": 1788234698}, "tier": 1, "alerts": [], "total_sd": 0.431, "total_ci95": [47.478, 49.181], "relegate_reason": [], "submitted_at": 1788190892, "scored_at": 1788234698, "rank": 2195}, {"candidate_id": "ODC-0C77A1", "res_at": 1787582029, "skeleton": "XHUQNMNUIPQPLR", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4S2", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.168, "axes": {"activity": 17.5, "binding": 12.43, "selectivity": 8.73, "admet": 3.25, "novelty": 3.45, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.65, "fraction": 0.583}, "binding": {"pIC50": 6.86, "LE": 0.376, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.4, "selectivity_term": 0.702, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.366, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.6502099896944475, "aff_pf": -0.8639672597249349, "aff_hs": 0.5407162060340246, "repeats_pf": {"runs": 3, "values": [-0.8417, -0.8353, -0.9149], "mean": -0.864, "spread": 0.0796}, "repeats_hs": {"runs": 3, "values": [0.809, 0.627, 0.1861], "mean": 0.5407, "spread": 0.6228}, "at": 1787582029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578630, "scored_at": 1787582029, "alerts": [], "rank": 2196}, {"candidate_id": "ODC-BE2226", "res_at": 1786944914, "skeleton": "NXDUIFWUXCEFSZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 48.158, "axes": {"activity": 12.2, "binding": 15.61, "selectivity": 9.18, "admet": 3.42, "novelty": 4.21, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.407}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.78, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.694, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.332253397127742, "aff_pf": -1.3410876592000325, "aff_hs": -0.1641960988442103, "repeats_pf": {"runs": 3, "values": [-1.4524, -1.3215, -1.2494], "mean": -1.3411, "spread": 0.203}, "repeats_hs": {"runs": 3, "values": [-0.1255, -0.1662, -0.2009], "mean": -0.1642, "spread": 0.0754}, "at": 1786944914}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934275, "scored_at": 1786944914, "alerts": [], "rank": 2197}, {"candidate_id": "ODC-3F45A2", "res_at": 1787898608, "skeleton": "FBCOZOVMBJMFMY", "hf_user": "Bio-JS", "display_name": "옥세탄 x 에타이닐 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)COC1", "total": 48.132, "axes": {"activity": 16.45, "binding": 14.78, "selectivity": 5.85, "admet": 3.14, "novelty": 5.08, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.548}, "binding": {"pIC50": 7.37, "LE": 0.281, "potency_term": 0.79, "efficiency_cap": 0.935}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.473, "herg": 0.05, "dili": 0.201}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.587033543052038, "aff_pf": -1.3708500067392986, "aff_hs": -0.6303426424662272, "repeats_pf": {"runs": 3, "values": [-1.384, -1.286, -1.4425], "mean": -1.3709, "spread": 0.1565}, "repeats_hs": {"runs": 3, "values": [-0.62, -0.6056, -0.6654], "mean": -0.6303, "spread": 0.0597}, "at": 1787898608}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889332, "scored_at": 1787898608, "alerts": [], "rank": 2198}, {"candidate_id": "ODC-277B26", "res_at": 1786904326, "skeleton": "JJNGTUJQZLATJK", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········nc2n1", "total": 48.117, "axes": {"activity": 22.68, "binding": 10.75, "selectivity": 1.11, "admet": 5.48, "novelty": 4.87, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.961, "fraction": 0.756}, "binding": {"pIC50": 6.61, "LE": 0.336, "potency_term": 0.538, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.578, "herg": 0.112, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.960994328400243, "aff_pf": -0.6127861539522806, "aff_hs": -0.4056471586227417, "repeats_pf": {"runs": 3, "values": [-0.6333, -0.6779, -0.5271], "mean": -0.6128, "spread": 0.1508}, "repeats_hs": {"runs": 3, "values": [-0.3717, -0.5044, -0.3408], "mean": -0.4056, "spread": 0.1636}, "at": 1786904326}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900935, "scored_at": 1786904326, "alerts": [], "rank": 2199}, {"candidate_id": "ODC-A29431", "res_at": 1789332664, "skeleton": "QWMBPQZKQXRHPR", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-14_DifEtO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.091, "axes": {"activity": 14.15, "binding": 15.19, "selectivity": 4.57, "admet": 6.18, "novelty": 4.51, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.472}, "binding": {"pIC50": 7.28, "LE": 0.415, "potency_term": 0.759, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.759}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.94, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.373, "herg": 0.281, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.448911999682259, "aff_pf": -1.277840296427409, "aff_hs": -0.6763108770052592, "repeats_pf": {"runs": 3, "values": [-1.3068, -1.2509, -1.2759], "mean": -1.2778, "spread": 0.0559}, "repeats_hs": {"runs": 3, "values": [-0.7006, -0.6542, -0.6741], "mean": -0.6763, "spread": 0.0465}, "at": 1789332664}, "tier": 1, "alerts": [], "total_sd": 0.338, "total_ci95": [47.49, 48.745], "relegate_reason": [], "submitted_at": 1789322869, "scored_at": 1789332664, "rank": 2200}, {"candidate_id": "ODC-B3FAE9", "res_at": 1786952264, "skeleton": "ZKPSUEZYYRQRFK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8 + RDKit", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 48.083, "axes": {"activity": 14.46, "binding": 13.11, "selectivity": 11.35, "admet": 3.99, "novelty": 2.02, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.468, "fraction": 0.482}, "binding": {"pIC50": 6.97, "LE": 0.398, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.9, "selectivity_term": 0.866, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.692, "novelty": 0.308}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.467522918863525, "aff_pf": -0.9659986893335978, "aff_hs": 0.7655116319656372, "repeats_pf": {"runs": 3, "values": [-1.015, -0.9509, -0.9321], "mean": -0.966, "spread": 0.0829}, "repeats_hs": {"runs": 3, "values": [0.7593, 0.7541, 0.7831], "mean": 0.7655, "spread": 0.0291}, "at": 1786952264}, "tier": 1, "relegate_reason": [], "submitted_at": 1786945930, "scored_at": 1786952264, "alerts": [], "rank": 2201}, {"candidate_id": "ODC-24B6C6", "res_at": 1789970710, "skeleton": "ZCEJNKKRJZHLMD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COC(F)c··········cc1Cl", "total": 48.082, "axes": {"activity": 14.13, "binding": 15.33, "selectivity": 6.58, "admet": 5.56, "novelty": 3.83, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.448, "fraction": 0.471}, "binding": {"pIC50": 7.3, "LE": 0.417, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.46, "herg": 0.687, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "2", "pAct_q10": 5.447636545697327, "aff_pf": -1.2990911801656086, "aff_hs": -0.44105655948321026, "repeats_pf": {"runs": 3, "values": [-1.332, -1.2846, -1.2806], "mean": -1.2991, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [-0.4207, -0.3415, -0.5609], "mean": -0.4411, "spread": 0.2194}, "at": 1789970710}, "tier": 1, "alerts": [], "total_sd": 0.492, "total_ci95": [47.172, 49.205], "relegate_reason": [], "submitted_at": 1789918945, "scored_at": 1789970710, "rank": 2202}, {"candidate_id": "ODC-B21471", "res_at": 1788234735, "skeleton": "UXVRQLIXNWENGJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 48.081, "axes": {"activity": 10.69, "binding": 16.08, "selectivity": 8.01, "admet": 5.56, "novelty": 4.45, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.241, "fraction": 0.356}, "binding": {"pIC50": 7.41, "LE": 0.376, "potency_term": 0.804, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.377, "cyp3a4-substrate-carbonmangels": 0.415, "ld50-zhu": 0.395, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.241280348508883, "aff_pf": -1.4120482206344604, "aff_hs": -0.4155211051305135, "repeats_pf": {"runs": 3, "values": [-1.4624, -1.3773, -1.3964], "mean": -1.412, "spread": 0.0851}, "repeats_hs": {"runs": 3, "values": [-0.4145, -0.4265, -0.4056], "mean": -0.4155, "spread": 0.0209}, "at": 1788234735}, "tier": 1, "alerts": [], "total_sd": 0.5, "total_ci95": [47.299, 49.275], "relegate_reason": [], "submitted_at": 1788193121, "scored_at": 1788234735, "rank": 2203}, {"candidate_id": "ODC-99D62F", "res_at": 1788432907, "skeleton": "NFEOBCBEGQYQRF", "hf_user": "Bio-JS", "display_name": "0903-S1-15 oCN_mF/cPr/spiroSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.042, "axes": {"activity": 18.34, "binding": 13.43, "selectivity": 6.67, "admet": 2.65, "novelty": 4.92, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.701, "fraction": 0.611}, "binding": {"pIC50": 7.34, "LE": 0.258, "potency_term": 0.781, "efficiency_cap": 0.86}, "selectivity": {"fold": 7.1, "selectivity_term": 0.427, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.076, "caco2-wang": 0.439, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.813, "herg": 0.05, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "0", "pAct_q10": 5.700613445082499, "aff_pf": -1.342566728591919, "aff_hs": -0.4890042344729106, "repeats_pf": {"runs": 3, "values": [-1.2761, -1.4579, -1.2937], "mean": -1.3426, "spread": 0.1818}, "repeats_hs": {"runs": 3, "values": [-0.5729, -0.4779, -0.4162], "mean": -0.489, "spread": 0.1567}, "at": 1788432907}, "tier": 1, "alerts": [], "total_sd": 1.19, "total_ci95": [46.336, 50.828], "relegate_reason": [], "submitted_at": 1788362786, "scored_at": 1788432907, "rank": 2204}, {"candidate_id": "ODC-D4A42B", "res_at": 1787951195, "skeleton": "YTFZDYIKSPQRRJ", "hf_user": "Bio-JS", "display_name": "E2 하이브리드 공개 코어 x 우리 최고 아닐린", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 48.037, "axes": {"activity": 15.64, "binding": 13.9, "selectivity": 8.07, "admet": 4.45, "novelty": 3.0, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.538, "fraction": 0.521}, "binding": {"pIC50": 7.09, "LE": 0.388, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.58, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.812, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.533, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.5383552645137115, "aff_pf": -1.0855907201766968, "aff_hs": 0.07499041656653087, "repeats_pf": {"runs": 3, "values": [-1.064, -1.0168, -1.176], "mean": -1.0856, "spread": 0.1592}, "repeats_hs": {"runs": 3, "values": [0.0032, 0.0969, 0.1249], "mean": 0.075, "spread": 0.1216}, "at": 1787951195}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945034, "scored_at": 1787951195, "alerts": [], "rank": 2205}, {"candidate_id": "ODC-7C7138", "res_at": 1789308176, "skeleton": "QWPAUMRAGPVXPZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 48.033, "axes": {"activity": 13.1, "binding": 15.75, "selectivity": 7.21, "admet": 4.86, "novelty": 3.69, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.437}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.458, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.264, "ld50-zhu": 0.533, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.531, "novelty": 0.469}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.385835241612115, "aff_pf": -1.3619304100672405, "aff_hs": -0.446699579556783, "repeats_pf": {"runs": 3, "values": [-1.3091, -1.4072, -1.3695], "mean": -1.3619, "spread": 0.0981}, "repeats_hs": {"runs": 3, "values": [-0.4696, -0.4347, -0.4358], "mean": -0.4467, "spread": 0.0349}, "at": 1789308176}, "tier": 1, "alerts": [], "total_sd": 0.522, "total_ci95": [46.929, 48.874], "relegate_reason": [], "submitted_at": 1789307738, "scored_at": 1789308176, "rank": 2206}, {"candidate_id": "ODC-2F5BAD", "res_at": 1787729177, "skeleton": "KLPFEXTUQOMRJG", "hf_user": "Bio-JS", "display_name": "A 팔페닐 -> 사이클로헥산-1,4-다이일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 48.027, "axes": {"activity": 17.66, "binding": 14.1, "selectivity": 5.42, "admet": 3.27, "novelty": 5.09, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.66, "fraction": 0.589}, "binding": {"pIC50": 7.34, "LE": 0.272, "potency_term": 0.779, "efficiency_cap": 0.905}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.556, "caco2-wang": 0.291, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.15}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.659772128252076, "aff_pf": -1.3358019193013508, "aff_hs": -0.6397420366605123, "repeats_pf": {"runs": 3, "values": [-1.4165, -1.436, -1.155], "mean": -1.3358, "spread": 0.281}, "repeats_hs": {"runs": 3, "values": [-0.6207, -0.6482, -0.6503], "mean": -0.6397, "spread": 0.0295}, "at": 1787729177}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726362, "scored_at": 1787729177, "alerts": [], "rank": 2207}, {"candidate_id": "ODC-31CAB2", "res_at": 1789117328, "skeleton": "BUEWMRFSTZVEJV", "hf_user": "Bio-JS", "display_name": "0911-S1-2pos_CCS", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 48.024, "axes": {"activity": 14.2, "binding": 13.27, "selectivity": 9.35, "admet": 4.35, "novelty": 4.06, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.452, "fraction": 0.473}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.98, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.24, "ld50-zhu": 0.504, "herg": 0.253, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.45221753146048, "aff_pf": -0.9910129110018412, "aff_hs": 0.41775404413541156, "repeats_pf": {"runs": 3, "values": [-0.9098, -1.118, -0.9452], "mean": -0.991, "spread": 0.2082}, "repeats_hs": {"runs": 3, "values": [0.5431, 0.1999, 0.5103], "mean": 0.4178, "spread": 0.3432}, "at": 1789117328}, "tier": 1, "alerts": [], "total_sd": 1.437, "total_ci95": [45.668, 51.078], "relegate_reason": [], "submitted_at": 1789116998, "scored_at": 1789117328, "rank": 2208}, {"candidate_id": "ODC-2943FE", "res_at": 1786910054, "skeleton": "LFJBRBOUOQNBFY", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 48.011, "axes": {"activity": 21.93, "binding": 11.02, "selectivity": 2.61, "admet": 4.65, "novelty": 4.59, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.916, "fraction": 0.731}, "binding": {"pIC50": 6.65, "LE": 0.326, "potency_term": 0.551, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.755, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.915802010110055, "aff_pf": -0.6528348525365194, "aff_hs": -0.17919515570004782, "repeats_pf": {"runs": 3, "values": [-0.553, -0.7333, -0.6722], "mean": -0.6528, "spread": 0.1803}, "repeats_hs": {"runs": 3, "values": [-0.2638, -0.1685, -0.1053], "mean": -0.1792, "spread": 0.1585}, "at": 1786910054}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899523, "scored_at": 1786910054, "alerts": [], "rank": 2209}, {"candidate_id": "ODC-CC1631", "res_at": 1789105027, "skeleton": "PBSVTMOFLQHFBA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.998, "axes": {"activity": 13.67, "binding": 14.83, "selectivity": 7.87, "admet": 5.28, "novelty": 3.12, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.456}, "binding": {"pIC50": 7.22, "LE": 0.412, "potency_term": 0.742, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.501, "herg": 0.538, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.4203414760630455, "aff_pf": -1.2247568766276042, "aff_hs": -0.16289865970611572, "repeats_pf": {"runs": 3, "values": [-1.172, -1.2437, -1.2586], "mean": -1.2248, "spread": 0.0867}, "repeats_hs": {"runs": 3, "values": [-0.0717, -0.0882, -0.3288], "mean": -0.1629, "spread": 0.2571}, "at": 1789105027}, "tier": 1, "alerts": [], "total_sd": 0.723, "total_ci95": [46.221, 49.263], "relegate_reason": [], "submitted_at": 1789093476, "scored_at": 1789105027, "rank": 2210}, {"candidate_id": "ODC-F9DD58", "res_at": 1789098357, "skeleton": "QNHMNUXTFPHWTG", "hf_user": "Ku-ku", "display_name": "KK-M-0911-631", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.996, "axes": {"activity": 17.04, "binding": 11.91, "selectivity": 10.39, "admet": 3.0, "novelty": 3.64, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.622, "fraction": 0.568}, "binding": {"pIC50": 6.79, "LE": 0.344, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 55.6, "selectivity_term": 0.873, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.377, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.593, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "0", "pAct_q10": 5.622451799098925, "aff_pf": -0.7859023213386536, "aff_hs": 0.959246039390564, "repeats_pf": {"runs": 3, "values": [-0.731, -0.8367, -0.79], "mean": -0.7859, "spread": 0.1058}, "repeats_hs": {"runs": 3, "values": [0.9337, 0.9832, 0.9608], "mean": 0.9592, "spread": 0.0495}, "at": 1789098357}, "tier": 1, "alerts": [], "total_sd": 0.545, "total_ci95": [46.771, 48.921], "relegate_reason": [], "submitted_at": 1789089385, "scored_at": 1789098357, "rank": 2211}, {"candidate_id": "ODC-C92584", "res_at": 1787417360, "skeleton": "WMQGFWMPZDLBCU", "hf_user": "1Dmeds", "display_name": "ODC26-W2", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 47.973, "axes": {"activity": 26.46, "binding": 6.86, "selectivity": 1.87, "admet": 3.05, "novelty": 6.13, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.187, "fraction": 0.882}, "binding": {"pIC50": 6.26, "LE": 0.245, "potency_term": 0.42, "efficiency_cap": 0.817}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.079, "caco2-wang": 0.51, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.736, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.1874927558320545, "aff_pf": -0.259508748849233, "aff_hs": 0.18481765190760294, "repeats_pf": {"runs": 3, "values": [-0.279, -0.2594, -0.2402], "mean": -0.2595, "spread": 0.0388}, "repeats_hs": {"runs": 3, "values": [0.1059, 0.3124, 0.1362], "mean": 0.1848, "spread": 0.2065}, "at": 1787417360}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412253, "scored_at": 1787417360, "alerts": [], "rank": 2212}, {"candidate_id": "ODC-F123DB", "res_at": 1789007712, "skeleton": "BRTFOGGIYIJTAC", "hf_user": "Bio-JS", "display_name": "0910c-S1-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.971, "axes": {"activity": 10.41, "binding": 14.94, "selectivity": 10.88, "admet": 4.75, "novelty": 3.54, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 7.24, "LE": 0.413, "potency_term": 0.747, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.6, "selectivity_term": 0.728, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.639, "herg": 0.276, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.2246514374683075, "aff_pf": -1.2404399315516155, "aff_hs": 0.2161117047071457, "repeats_pf": {"runs": 3, "values": [-1.2876, -1.1879, -1.2459], "mean": -1.2404, "spread": 0.0997}, "repeats_hs": {"runs": 3, "values": [0.2118, 0.1799, 0.2566], "mean": 0.2161, "spread": 0.0768}, "at": 1789007712}, "tier": 1, "alerts": [], "total_sd": 0.588, "total_ci95": [46.785, 49.122], "relegate_reason": [], "submitted_at": 1789006201, "scored_at": 1789007712, "rank": 2213}, {"candidate_id": "ODC-CE8179", "res_at": 1789891036, "skeleton": "QFYHOJUTPXYGAV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Br", "total": 47.966, "axes": {"activity": 18.66, "binding": 15.53, "selectivity": 2.14, "admet": 3.86, "novelty": 4.61, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.719, "fraction": 0.622}, "binding": {"pIC50": 7.33, "LE": 0.346, "potency_term": 0.777, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.891, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.886, "ld50-zhu": 0.761, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.719403712969803, "aff_pf": -1.3297934929529827, "aff_hs": -1.0544659694035847, "repeats_pf": {"runs": 3, "values": [-1.377, -1.319, -1.2934], "mean": -1.3298, "spread": 0.0837}, "repeats_hs": {"runs": 3, "values": [-1.0266, -1.0655, -1.0713], "mean": -1.0545, "spread": 0.0447}, "at": 1789891036}, "tier": 1, "alerts": [], "total_sd": 0.442, "total_ci95": [47.273, 48.934], "relegate_reason": [], "submitted_at": 1789657798, "scored_at": 1789891036, "rank": 2214}, {"candidate_id": "ODC-E97515", "res_at": 1787588283, "skeleton": "RFAHEKCGTJCVNU", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 47.945, "axes": {"activity": 13.51, "binding": 15.05, "selectivity": 10.62, "admet": 4.76, "novelty": 1.21, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.45}, "binding": {"pIC50": 7.26, "LE": 0.382, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.8, "selectivity_term": 0.706, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.952, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.51, "herg": 0.05, "dili": 0.477}}, "novelty": {"max_tanimoto": 0.839, "novelty": 0.161}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.4106610502703205, "aff_pf": -1.257885495821635, "aff_hs": 0.15366562207539877, "repeats_pf": {"runs": 3, "values": [-1.3098, -1.2884, -1.1755], "mean": -1.2579, "spread": 0.1343}, "repeats_hs": {"runs": 3, "values": [0.1599, 0.1485, 0.1526], "mean": 0.1537, "spread": 0.0114}, "at": 1787588283}, "tier": 1, "relegate_reason": [], "submitted_at": 1787584336, "scored_at": 1787588283, "alerts": [], "rank": 2215}, {"candidate_id": "ODC-7EB384", "res_at": 1788305501, "skeleton": "SHHMSKIDXOMDMH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 47.936, "axes": {"activity": 18.31, "binding": 11.7, "selectivity": 8.33, "admet": 3.08, "novelty": 3.69, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.699, "fraction": 0.61}, "binding": {"pIC50": 7.07, "LE": 0.255, "potency_term": 0.689, "efficiency_cap": 0.849}, "selectivity": {"fold": 16.2, "selectivity_term": 0.604, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.209}}, "novelty": {"max_tanimoto": 0.396, "novelty": 0.604}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.698755383230599, "aff_pf": -1.0663317441940308, "aff_hs": 0.1424624224503835, "repeats_pf": {"runs": 3, "values": [-1.2005, -1.183, -0.8155], "mean": -1.0663, "spread": 0.385}, "repeats_hs": {"runs": 3, "values": [0.1652, 0.3594, -0.0972], "mean": 0.1425, "spread": 0.4566}, "at": 1788305501}, "tier": 1, "alerts": [], "total_sd": 2.229, "total_ci95": [43.622, 52.279], "relegate_reason": [], "submitted_at": 1788275446, "scored_at": 1788305501, "rank": 2216}, {"candidate_id": "ODC-48DD93", "res_at": 1787698811, "skeleton": "NGKINHCTJDJHFF", "hf_user": "Bio-JS", "display_name": "설폰 유지·고리 제거: 4-(메틸설폰아미도)페닐 (10)", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 47.933, "axes": {"activity": 14.76, "binding": 12.65, "selectivity": 11.4, "admet": 2.31, "novelty": 4.03, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 6.97, "LE": 0.289, "potency_term": 0.656, "efficiency_cap": 0.964}, "selectivity": {"fold": 54.6, "selectivity_term": 0.869, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.399, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.485659398561471, "aff_pf": -0.9682226975758871, "aff_hs": 0.7693566679954529, "repeats_pf": {"runs": 3, "values": [-1.0245, -0.8797, -1.0005], "mean": -0.9682, "spread": 0.1448}, "repeats_hs": {"runs": 3, "values": [0.8721, 0.7071, 0.7289], "mean": 0.7694, "spread": 0.165}, "at": 1787698811}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696993, "scored_at": 1787698811, "alerts": [], "rank": 2217}, {"candidate_id": "ODC-FDFB53", "res_at": 1789924335, "skeleton": "FBNKCZDQSKWBAZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.912, "axes": {"activity": 16.94, "binding": 15.76, "selectivity": 1.74, "admet": 5.93, "novelty": 4.01, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.565}, "binding": {"pIC50": 7.36, "LE": 0.404, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.11, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.393, "ld50-zhu": 0.669, "herg": 0.233, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.616455108833253, "aff_pf": -1.364464521408081, "aff_hs": -1.1441034078598022, "repeats_pf": {"runs": 3, "values": [-1.3359, -1.3949, -1.3626], "mean": -1.3645, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [-1.1127, -1.2291, -1.0904], "mean": -1.1441, "spread": 0.1387}, "at": 1789924335}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [47.019, 48.752], "relegate_reason": [], "submitted_at": 1789758138, "scored_at": 1789924335, "rank": 2218}, {"candidate_id": "ODC-A9C2FF", "res_at": 1786903236, "skeleton": "GOIUKAOWDPDWIV", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········nc2n1", "total": 47.887, "axes": {"activity": 20.06, "binding": 11.84, "selectivity": 4.37, "admet": 4.34, "novelty": 4.29, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.803, "fraction": 0.669}, "binding": {"pIC50": 6.78, "LE": 0.371, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.369, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.84, "ld50-zhu": 0.369, "herg": 0.277, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.803345095754158, "aff_pf": -0.7762931187947592, "aff_hs": -0.037558148304621376, "repeats_pf": {"runs": 3, "values": [-0.8244, -0.8455, -0.659], "mean": -0.7763, "spread": 0.1866}, "repeats_hs": {"runs": 3, "values": [0.1761, -0.1106, -0.1781], "mean": -0.0376, "spread": 0.3543}, "at": 1786903236}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899517, "scored_at": 1786903236, "alerts": [], "rank": 2219}, {"candidate_id": "ODC-408692", "res_at": 1789940893, "skeleton": "PDFOILJJSZRSRI", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.877, "axes": {"activity": 16.74, "binding": 12.43, "selectivity": 7.6, "admet": 5.11, "novelty": 3.21, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 6.86, "LE": 0.392, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.612, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.459, "herg": 0.488, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "2", "pAct_q10": 5.604156888323119, "aff_pf": -0.8638766606648763, "aff_hs": 0.35956541697184247, "repeats_pf": {"runs": 3, "values": [-0.862, -0.8547, -0.8749], "mean": -0.8639, "spread": 0.0201}, "repeats_hs": {"runs": 3, "values": [0.4308, 0.3792, 0.2686], "mean": 0.3596, "spread": 0.1622}, "at": 1789940893}, "tier": 1, "alerts": [], "total_sd": 0.27, "total_ci95": [47.367, 48.369], "relegate_reason": [], "submitted_at": 1789828712, "scored_at": 1789940893, "rank": 2220}, {"candidate_id": "ODC-1005F6", "res_at": 1788613445, "skeleton": "JHHAMAHAHQVTTG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.859, "axes": {"activity": 15.04, "binding": 13.82, "selectivity": 8.13, "admet": 3.97, "novelty": 4.01, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 7.07, "LE": 0.388, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.469, "herg": 0.39, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.502406201055704, "aff_pf": -1.07298747698466, "aff_hs": 0.10324577987194061, "repeats_pf": {"runs": 3, "values": [-1.0246, -1.1033, -1.0911], "mean": -1.073, "spread": 0.0787}, "repeats_hs": {"runs": 3, "values": [0.0864, 0.0963, 0.127], "mean": 0.1032, "spread": 0.0406}, "at": 1788613445}, "tier": 1, "alerts": [], "total_sd": 0.484, "total_ci95": [46.744, 48.552], "relegate_reason": [], "submitted_at": 1788583741, "scored_at": 1788613445, "rank": 2221}, {"candidate_id": "ODC-123847", "res_at": 1787033903, "skeleton": "SGGCAOGRHSAZME", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········3)cc1", "total": 47.853, "axes": {"activity": 17.55, "binding": 13.36, "selectivity": 4.82, "admet": 5.42, "novelty": 3.69, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.653, "fraction": 0.585}, "binding": {"pIC50": 7.0, "LE": 0.417, "potency_term": 0.668, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.361, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.536, "cyp3a4-substrate-carbonmangels": 0.299, "ld50-zhu": 0.427, "herg": 0.791, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.652813316829599, "aff_pf": -1.0040465792020161, "aff_hs": -0.28213686992724735, "repeats_pf": {"runs": 3, "values": [-0.9707, -1.0137, -1.0277], "mean": -1.004, "spread": 0.057}, "repeats_hs": {"runs": 3, "values": [-0.4625, 0.0491, -0.433], "mean": -0.2821, "spread": 0.5116}, "at": 1787033903}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030838, "scored_at": 1787033903, "alerts": [], "rank": 2222}, {"candidate_id": "ODC-AAA2AF", "res_at": 1787185789, "skeleton": "ZZNMTLDXIJAPFP", "hf_user": "Ku-ku", "display_name": "L3_Me_SCHF2_FBiPh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.843, "axes": {"activity": 19.53, "binding": 10.96, "selectivity": 8.17, "admet": 3.05, "novelty": 2.89, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.772, "fraction": 0.651}, "binding": {"pIC50": 6.64, "LE": 0.325, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.9, "selectivity_term": 0.745, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.486, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.446, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.624, "ld50-zhu": 0.397, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.771515173742387, "aff_pf": -0.6435055335362753, "aff_hs": 0.8469284971555074, "repeats_pf": {"runs": 3, "values": [-0.6698, -0.5544, -0.7063], "mean": -0.6435, "spread": 0.152}, "repeats_hs": {"runs": 3, "values": [0.8446, 1.0033, 0.6928], "mean": 0.8469, "spread": 0.3105}, "at": 1787185789}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184070, "scored_at": 1787185789, "alerts": [], "rank": 2223}, {"candidate_id": "ODC-E0BA1F", "res_at": 1787185982, "skeleton": "DAZAZBNGEBEDKN", "hf_user": "Ku-ku", "display_name": "L6_NMe2_SCHF2_FBiPh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 47.839, "axes": {"activity": 21.43, "binding": 8.79, "selectivity": 6.91, "admet": 3.08, "novelty": 4.26, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.886, "fraction": 0.714}, "binding": {"pIC50": 6.36, "LE": 0.291, "potency_term": 0.454, "efficiency_cap": 0.968}, "selectivity": {"fold": 33.3, "selectivity_term": 0.761, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.975, "ld50-zhu": 0.427, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.88591356112621, "aff_pf": -0.3614060382048289, "aff_hs": 1.1613346338272095, "repeats_pf": {"runs": 3, "values": [-0.2331, -0.6747, -0.1764], "mean": -0.3614, "spread": 0.4982}, "repeats_hs": {"runs": 3, "values": [1.2093, 1.0766, 1.1981], "mean": 1.1613, "spread": 0.1327}, "at": 1787185982}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184077, "scored_at": 1787185982, "alerts": [], "rank": 2224}, {"candidate_id": "ODC-D67539", "res_at": 1787318693, "skeleton": "NJFKMSVRQRZGJD", "hf_user": "takutoyo", "display_name": "PfD12-17", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 47.831, "axes": {"activity": 20.53, "binding": 12.55, "selectivity": 5.72, "admet": 2.45, "novelty": 4.36, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.832, "fraction": 0.684}, "binding": {"pIC50": 7.0, "LE": 0.282, "potency_term": 0.667, "efficiency_cap": 0.94}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "3", "pAct_q10": 5.831939880745792, "aff_pf": -1.0012019475301106, "aff_hs": -0.1430348058541616, "repeats_pf": {"runs": 3, "values": [-1.0136, -1.0463, -0.9437], "mean": -1.0012, "spread": 0.1026}, "repeats_hs": {"runs": 3, "values": [0.1388, -0.1186, -0.4493], "mean": -0.143, "spread": 0.5881}, "at": 1787318693}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315882, "scored_at": 1787318693, "alerts": [], "rank": 2225}, {"candidate_id": "ODC-1249D7", "res_at": 1786944327, "skeleton": "XTEGPDNEBYQAPT", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.83, "axes": {"activity": 14.36, "binding": 15.41, "selectivity": 6.68, "admet": 3.85, "novelty": 4.04, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 7.31, "LE": 0.401, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.433, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.961, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.576, "ld50-zhu": 0.575, "herg": 0.161, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.461644135807111, "aff_pf": -1.3117624521255493, "aff_hs": -0.4452761908372243, "repeats_pf": {"runs": 3, "values": [-1.3545, -1.2783, -1.3024], "mean": -1.3118, "spread": 0.0762}, "repeats_hs": {"runs": 3, "values": [-0.2852, -0.7481, -0.3025], "mean": -0.4453, "spread": 0.4629}, "at": 1786944327}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934268, "scored_at": 1786944327, "alerts": [], "rank": 2226}, {"candidate_id": "ODC-0D9304", "res_at": 1787051256, "skeleton": "YCZGSBZYRYBNOO", "hf_user": "takutoyo", "display_name": "PfD6-B3", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········cn2n1", "total": 47.824, "axes": {"activity": 5.46, "binding": 15.13, "selectivity": 13.56, "admet": 5.36, "novelty": 5.08, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 4.927, "fraction": 0.182}, "binding": {"pIC50": 7.27, "LE": 0.453, "potency_term": 0.757, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.9, "selectivity_term": 0.896, "target_engagement": 0.757}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.814, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.53, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 4.9273241882731105, "aff_pf": -1.2696397304534912, "aff_hs": 0.5222635368506113, "repeats_pf": {"runs": 3, "values": [-1.2202, -1.3008, -1.288], "mean": -1.2696, "spread": 0.0806}, "repeats_hs": {"runs": 3, "values": [0.4779, 0.5076, 0.5813], "mean": 0.5223, "spread": 0.1033}, "at": 1787051256}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047066, "scored_at": 1787051256, "alerts": [], "rank": 2227}, {"candidate_id": "ODC-8DD4C6", "res_at": 1787516884, "skeleton": "CEIOWHFURRQLRB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SUP03]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.811, "axes": {"activity": 21.65, "binding": 12.43, "selectivity": 2.92, "admet": 4.38, "novelty": 3.36, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.899, "fraction": 0.722}, "binding": {"pIC50": 6.86, "LE": 0.336, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.235, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.174, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.543, "herg": 0.053, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.899007316936436, "aff_pf": -0.8638879656791687, "aff_hs": -0.3942318956057231, "repeats_pf": {"runs": 3, "values": [-0.8251, -0.9076, -0.859], "mean": -0.8639, "spread": 0.0826}, "repeats_hs": {"runs": 3, "values": [-0.1643, -0.4136, -0.6048], "mean": -0.3942, "spread": 0.4406}, "at": 1787516884}, "tier": 1, "relegate_reason": [], "submitted_at": 1787516340, "scored_at": 1787516884, "alerts": [], "rank": 2228}, {"candidate_id": "ODC-6BB65E", "res_at": 1787173536, "skeleton": "GGUOVJYZQJMERR", "hf_user": "1Dmeds", "display_name": "ODC26-FN-10", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 47.807, "axes": {"activity": 17.39, "binding": 15.2, "selectivity": 2.61, "admet": 4.4, "novelty": 5.13, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.643, "fraction": 0.58}, "binding": {"pIC50": 7.28, "LE": 0.356, "potency_term": 0.76, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.172, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.942, "ld50-zhu": 0.715, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.643196435803707, "aff_pf": -1.2795071204503377, "aff_hs": -0.9361650149027506, "repeats_pf": {"runs": 3, "values": [-1.2988, -1.29, -1.2497], "mean": -1.2795, "spread": 0.0492}, "repeats_hs": {"runs": 3, "values": [-0.9425, -0.9328, -0.9332], "mean": -0.9362, "spread": 0.0098}, "at": 1787173536}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171690, "scored_at": 1787173536, "alerts": [], "rank": 2229}, {"candidate_id": "ODC-4B77E8", "res_at": 1789957427, "skeleton": "IWGNEYPSDYYCHJ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 47.798, "axes": {"activity": 14.35, "binding": 15.52, "selectivity": 4.85, "admet": 5.77, "novelty": 4.01, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.461, "fraction": 0.478}, "binding": {"pIC50": 7.33, "LE": 0.418, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.313, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.594, "ld50-zhu": 0.528, "herg": 0.419, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.460838949886367, "aff_pf": -1.3276503086090088, "aff_hs": -0.7020734349886576, "repeats_pf": {"runs": 3, "values": [-1.3275, -1.319, -1.3365], "mean": -1.3277, "spread": 0.0175}, "repeats_hs": {"runs": 3, "values": [-0.7354, -0.6974, -0.6735], "mean": -0.7021, "spread": 0.0619}, "at": 1789957427}, "tier": 1, "alerts": [], "total_sd": 0.14, "total_ci95": [47.571, 48.083], "relegate_reason": [], "submitted_at": 1789876176, "scored_at": 1789957427, "rank": 2230}, {"candidate_id": "ODC-A6C734", "res_at": 1789236050, "skeleton": "VIGZNCBRHFAZSN", "hf_user": "Bio-JS", "display_name": "0913-S1-div14", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.791, "axes": {"activity": 16.02, "binding": 13.14, "selectivity": 7.48, "admet": 4.88, "novelty": 3.55, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 6.97, "LE": 0.367, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.292, "ld50-zhu": 0.58, "herg": 0.378, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.560953565718424, "aff_pf": -0.9713992675145467, "aff_hs": 0.16667490949233374, "repeats_pf": {"runs": 3, "values": [-1.0161, -0.8964, -1.0016], "mean": -0.9714, "spread": 0.1197}, "repeats_hs": {"runs": 3, "values": [0.1089, 0.1976, 0.1935], "mean": 0.1667, "spread": 0.0887}, "at": 1789236050}, "tier": 1, "alerts": [], "total_sd": 0.702, "total_ci95": [46.287, 48.909], "relegate_reason": [], "submitted_at": 1789226333, "scored_at": 1789236050, "rank": 2231}, {"candidate_id": "ODC-C79A76", "res_at": 1789247946, "skeleton": "IZFAZYUCIGFGIK", "hf_user": "Bio-JS", "display_name": "0913-S1-div30", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.785, "axes": {"activity": 16.71, "binding": 12.77, "selectivity": 7.79, "admet": 3.87, "novelty": 3.89, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.92, "LE": 0.364, "potency_term": 0.639, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.708, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.515, "herg": 0.111, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.60279141288886, "aff_pf": -0.9159377614657084, "aff_hs": 0.3042493959267934, "repeats_pf": {"runs": 3, "values": [-0.9394, -0.9194, -0.889], "mean": -0.9159, "spread": 0.0503}, "repeats_hs": {"runs": 3, "values": [0.3629, 0.2572, 0.2927], "mean": 0.3042, "spread": 0.1057}, "at": 1789247946}, "tier": 1, "alerts": [], "total_sd": 0.34, "total_ci95": [47.032, 48.391], "relegate_reason": [], "submitted_at": 1789226401, "scored_at": 1789247946, "rank": 2232}, {"candidate_id": "ODC-9E0A5B", "res_at": 1788235506, "skeleton": "AGHOTWYGQMTFEJ", "hf_user": "Bio-JS", "display_name": "0901-S1 가지에타이닐 x 설폭사이드 팔 [빈 모서리]", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 47.773, "axes": {"activity": 17.13, "binding": 14.28, "selectivity": 5.75, "admet": 3.08, "novelty": 4.88, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.31, "LE": 0.278, "potency_term": 0.77, "efficiency_cap": 0.927}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.401, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.236}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.627568239512611, "aff_pf": -1.310344656308492, "aff_hs": -0.5642317334810892, "repeats_pf": {"runs": 3, "values": [-1.4265, -1.1019, -1.4026], "mean": -1.3103, "spread": 0.3247}, "repeats_hs": {"runs": 3, "values": [-0.6786, -0.5256, -0.4886], "mean": -0.5642, "spread": 0.19}, "at": 1788235506}, "tier": 1, "alerts": [], "total_sd": 2.115, "total_ci95": [43.345, 50.977], "relegate_reason": [], "submitted_at": 1788222254, "scored_at": 1788235506, "rank": 2233}, {"candidate_id": "ODC-CF3E10", "res_at": 1786852037, "skeleton": "OIXAIXSWFORQJG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Br)c(F)c2)n2nc(Cl)nc2n1", "smiles_masked": null, "total": 47.758, "axes": {"activity": 10.93, "binding": 14.11, "selectivity": 11.06, "admet": 5.2, "novelty": 3.1, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.364}, "binding": {"pIC50": 7.12, "LE": 0.487, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.9, "selectivity_term": 0.784, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.204, "ld50-zhu": 0.407, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.56, "novelty": 0.44}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.256038534403161, "aff_pf": -1.1167697509129841, "aff_hs": 0.45035691062609357, "repeats_pf": {"runs": 3, "values": [-1.0575, -1.1543, -1.1385], "mean": -1.1168, "spread": 0.0967}, "repeats_hs": {"runs": 3, "values": [0.392, 0.4691, 0.49], "mean": 0.4504, "spread": 0.098}, "at": 1786852037}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847516, "scored_at": 1786852037, "alerts": [], "rank": 2234}, {"candidate_id": "ODC-49DCA6", "res_at": 1788424812, "skeleton": "COQIRAISPYLLTG", "hf_user": "Bio-JS", "display_name": "0903-S1-02 P0/cPr/tmSO", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 47.737, "axes": {"activity": 19.97, "binding": 10.48, "selectivity": 7.15, "admet": 2.92, "novelty": 4.38, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.798, "fraction": 0.666}, "binding": {"pIC50": 6.74, "LE": 0.271, "potency_term": 0.579, "efficiency_cap": 0.905}, "selectivity": {"fold": 17.2, "selectivity_term": 0.618, "target_engagement": 0.579}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.613, "herg": 0.05, "dili": 0.16}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.798039221235468, "aff_pf": -0.7373241384824117, "aff_hs": 0.4977204402287801, "repeats_pf": {"runs": 3, "values": [-0.8343, -0.7042, -0.6735], "mean": -0.7373, "spread": 0.1607}, "repeats_hs": {"runs": 3, "values": [0.6093, 0.5174, 0.3666], "mean": 0.4977, "spread": 0.2427}, "at": 1788424812}, "tier": 1, "alerts": [], "total_sd": 0.791, "total_ci95": [46.358, 49.353], "relegate_reason": [], "submitted_at": 1788362663, "scored_at": 1788424812, "rank": 2235}, {"candidate_id": "ODC-A779FD", "res_at": 1789923572, "skeleton": "CDAXKXYLOXOVST", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.72, "axes": {"activity": 17.11, "binding": 14.9, "selectivity": 2.73, "admet": 5.76, "novelty": 3.91, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.627, "fraction": 0.57}, "binding": {"pIC50": 7.23, "LE": 0.396, "potency_term": 0.745, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.745}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.561, "herg": 0.291, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.62664471507652, "aff_pf": -1.2343380848566692, "aff_hs": -0.8682559529940287, "repeats_pf": {"runs": 3, "values": [-1.1852, -1.2589, -1.2589], "mean": -1.2343, "spread": 0.0737}, "repeats_hs": {"runs": 3, "values": [-0.8837, -0.8514, -0.8697], "mean": -0.8683, "spread": 0.0323}, "at": 1789923572}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [46.689, 48.323], "relegate_reason": [], "submitted_at": 1789758113, "scored_at": 1789923572, "rank": 2236}, {"candidate_id": "ODC-ADCCD9", "res_at": 1787736767, "skeleton": "KUBLUGYTFDJXKT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········)cc1C", "total": 47.716, "axes": {"activity": 21.31, "binding": 11.5, "selectivity": 2.76, "admet": 5.14, "novelty": 4.11, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.878, "fraction": 0.71}, "binding": {"pIC50": 6.72, "LE": 0.369, "potency_term": 0.575, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.575}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.201, "ld50-zhu": 0.548, "herg": 0.821, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.878466976515136, "aff_pf": -0.7247121731440226, "aff_hs": -0.24448065956433615, "repeats_pf": {"runs": 3, "values": [-0.7064, -0.7201, -0.7476], "mean": -0.7247, "spread": 0.0412}, "repeats_hs": {"runs": 3, "values": [-0.2132, -0.2769, -0.2433], "mean": -0.2445, "spread": 0.0638}, "at": 1787736767}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736058, "scored_at": 1787736767, "alerts": [], "rank": 2237}, {"candidate_id": "ODC-52A13A", "res_at": 1788134701, "skeleton": "FPUSSQOQPFNRIY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 47.713, "axes": {"activity": 15.35, "binding": 12.79, "selectivity": 8.47, "admet": 5.09, "novelty": 3.34, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 6.92, "LE": 0.351, "potency_term": 0.639, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.1, "selectivity_term": 0.662, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.828, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.542, "herg": 0.628, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.477, "novelty": 0.523}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.521159808228148, "aff_pf": -0.9177685976028442, "aff_hs": 0.40695420900980633, "repeats_pf": {"runs": 3, "values": [-0.9102, -0.9246, -0.9185], "mean": -0.9178, "spread": 0.0144}, "repeats_hs": {"runs": 3, "values": [0.4029, 0.4535, 0.3645], "mean": 0.407, "spread": 0.089}, "at": 1788134701}, "tier": 1, "alerts": [], "total_sd": 0.152, "total_ci95": [47.394, 47.98], "relegate_reason": [], "submitted_at": 1788132457, "scored_at": 1788134701, "rank": 2238}, {"candidate_id": "ODC-E7F960", "res_at": 1789120938, "skeleton": "MYWLNGUUUFVOIO", "hf_user": "Bio-JS", "display_name": "0911-S1-cross_CCS", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.707, "axes": {"activity": 16.17, "binding": 13.66, "selectivity": 7.43, "admet": 3.63, "novelty": 3.87, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.05, "LE": 0.371, "potency_term": 0.683, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.544, "target_engagement": 0.683}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.684, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.158, "ld50-zhu": 0.596, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.570211760316334, "aff_pf": -1.0494827032089233, "aff_hs": 0.03770201653242111, "repeats_pf": {"runs": 3, "values": [-1.0403, -1.0805, -1.0276], "mean": -1.0495, "spread": 0.0528}, "repeats_hs": {"runs": 3, "values": [0.0976, 0.0468, -0.0313], "mean": 0.0377, "spread": 0.1289}, "at": 1789120938}, "tier": 1, "alerts": [], "total_sd": 0.362, "total_ci95": [47.024, 48.512], "relegate_reason": [], "submitted_at": 1789117057, "scored_at": 1789120938, "rank": 2239}, {"candidate_id": "ODC-97AAB3", "res_at": 1788060012, "skeleton": "MIWQLMJFWFXFNW", "hf_user": "Bio-JS", "display_name": "08 A2 2-Me/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)n2n1", "total": 47.692, "axes": {"activity": 22.25, "binding": 10.23, "selectivity": 3.45, "admet": 3.66, "novelty": 5.29, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.935, "fraction": 0.742}, "binding": {"pIC50": 6.82, "LE": 0.253, "potency_term": 0.607, "efficiency_cap": 0.842}, "selectivity": {"fold": 3.7, "selectivity_term": 0.284, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.745, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.934709865271468, "aff_pf": -0.8218121329943339, "aff_hs": -0.2536460558573405, "repeats_pf": {"runs": 3, "values": [-0.7372, -0.8189, -0.9094], "mean": -0.8218, "spread": 0.1722}, "repeats_hs": {"runs": 3, "values": [-0.3945, -0.1601, -0.2064], "mean": -0.2536, "spread": 0.2344}, "at": 1788060012}, "tier": 1, "alerts": [], "total_sd": 0.648, "total_ci95": [46.535, 49.044], "relegate_reason": [], "submitted_at": 1788017338, "scored_at": 1788060012, "rank": 2240}, {"candidate_id": "ODC-075C0C", "res_at": 1787378627, "skeleton": "IGWNBDYQAJRQCI", "hf_user": "1Dmeds", "display_name": "ODC26-G21", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Br··········C1CC2", "total": 47.686, "axes": {"activity": 28.57, "binding": 6.62, "selectivity": 0.0, "admet": 3.57, "novelty": 6.69, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 6.314, "fraction": 0.952}, "binding": {"pIC50": 6.13, "LE": 0.263, "potency_term": 0.378, "efficiency_cap": 0.875}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.378}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.824, "herg": 0.05, "dili": 0.175}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 4.35}}, "run": {"gpu": "3", "pAct_q10": 6.314201805004621, "aff_pf": -0.13427003473043442, "aff_hs": -0.2759292523066203, "repeats_pf": {"runs": 3, "values": [-0.3669, -0.065, 0.0292], "mean": -0.1343, "spread": 0.3961}, "repeats_hs": {"runs": 3, "values": [-0.3292, -0.2442, -0.2543], "mean": -0.2759, "spread": 0.085}, "at": 1787378627}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372787, "scored_at": 1787378627, "alerts": [], "rank": 2241}, {"candidate_id": "ODC-422B52", "res_at": 1787871637, "skeleton": "QXTVGQMQJKKUSP", "hf_user": "Bio-JS", "display_name": "설폭사이드팔 x N-폼일아제티딘", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 47.684, "axes": {"activity": 19.47, "binding": 10.64, "selectivity": 8.12, "admet": 2.55, "novelty": 4.51, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.768, "fraction": 0.649}, "binding": {"pIC50": 6.92, "LE": 0.249, "potency_term": 0.64, "efficiency_cap": 0.831}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.64}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.369, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.778, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.768107065203628, "aff_pf": -0.9188340306282043, "aff_hs": 0.3503618041674296, "repeats_pf": {"runs": 3, "values": [-0.8762, -0.9791, -0.9012], "mean": -0.9188, "spread": 0.1029}, "repeats_hs": {"runs": 3, "values": [0.4655, 0.2861, 0.2994], "mean": 0.3504, "spread": 0.1794}, "at": 1787869915}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813211, "scored_at": 1787869915, "alerts": [], "rank": 2242}, {"candidate_id": "ODC-56CE96", "res_at": 1788908273, "skeleton": "KDMPEHUBJAQMCP", "hf_user": "Bio-JS", "display_name": "0909-S1-09", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.679, "axes": {"activity": 16.03, "binding": 12.78, "selectivity": 8.55, "admet": 4.31, "novelty": 3.19, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.562, "fraction": 0.534}, "binding": {"pIC50": 6.92, "LE": 0.379, "potency_term": 0.639, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.734, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.072, "ld50-zhu": 0.581, "herg": 0.313, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.561944359307838, "aff_pf": -0.916397213935852, "aff_hs": 0.4217873811721802, "repeats_pf": {"runs": 3, "values": [-0.9003, -0.9477, -0.9012], "mean": -0.9164, "spread": 0.0474}, "repeats_hs": {"runs": 3, "values": [0.506, 0.4709, 0.2885], "mean": 0.4218, "spread": 0.2175}, "at": 1788908273}, "tier": 1, "alerts": [], "total_sd": 0.429, "total_ci95": [46.866, 48.509], "relegate_reason": [], "submitted_at": 1788902843, "scored_at": 1788908273, "rank": 2243}, {"candidate_id": "ODC-04E697", "res_at": 1789001971, "skeleton": "PJVPXNDOZCSGAW", "hf_user": "Bio-JS", "display_name": "0910b-S1-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 47.674, "axes": {"activity": 10.19, "binding": 13.15, "selectivity": 13.15, "admet": 5.82, "novelty": 2.48, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.212, "fraction": 0.34}, "binding": {"pIC50": 6.97, "LE": 0.434, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 304.4, "selectivity_term": 1.0, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.561, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.673, "cyp3a4-substrate-carbonmangels": 0.37, "ld50-zhu": 0.408, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.21165757378992, "aff_pf": -0.9721664190292358, "aff_hs": 1.5113479296366374, "repeats_pf": {"runs": 3, "values": [-0.9103, -0.9739, -1.0323], "mean": -0.9722, "spread": 0.1221}, "repeats_hs": {"runs": 3, "values": [1.5326, 1.4793, 1.5222], "mean": 1.5113, "spread": 0.0532}, "at": 1789001971}, "tier": 1, "alerts": [], "total_sd": 0.553, "total_ci95": [46.499, 48.817], "relegate_reason": [], "submitted_at": 1789001545, "scored_at": 1789001971, "rank": 2244}, {"candidate_id": "ODC-376946", "res_at": 1789375218, "skeleton": "OSOKTOTWDCTLHW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 47.674, "axes": {"activity": 13.01, "binding": 13.9, "selectivity": 9.95, "admet": 3.9, "novelty": 3.75, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.38, "fraction": 0.434}, "binding": {"pIC50": 7.09, "LE": 0.373, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.0, "selectivity_term": 0.715, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.669, "cyp2c9-veith": 0.394, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.473, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.380463307436577, "aff_pf": -1.0857441027959187, "aff_hs": 0.3448254068692525, "repeats_pf": {"runs": 3, "values": [-1.0031, -1.1392, -1.1149], "mean": -1.0857, "spread": 0.1362}, "repeats_hs": {"runs": 3, "values": [0.4115, 0.2812, 0.3417], "mean": 0.3448, "spread": 0.1303}, "at": 1789375218}, "tier": 1, "alerts": [], "total_sd": 0.858, "total_ci95": [45.904, 49.087], "relegate_reason": [], "submitted_at": 1789365215, "scored_at": 1789375218, "rank": 2245}, {"candidate_id": "ODC-33894F", "res_at": 1787323048, "skeleton": "SVZKMVSFXVMIBA", "hf_user": "Ku-ku", "display_name": "C_4I_3CN", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.662, "axes": {"activity": 21.37, "binding": 10.68, "selectivity": 3.79, "admet": 5.08, "novelty": 3.74, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.882, "fraction": 0.712}, "binding": {"pIC50": 6.6, "LE": 0.377, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.355, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.452, "cyp3a4-substrate-carbonmangels": 0.253, "ld50-zhu": 0.444, "herg": 0.704, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.882134773561108, "aff_pf": -0.6012570460637411, "aff_hs": 0.10902178784211476, "repeats_pf": {"runs": 3, "values": [-0.6241, -0.5714, -0.6083], "mean": -0.6013, "spread": 0.0527}, "repeats_hs": {"runs": 3, "values": [0.3161, -0.108, 0.119], "mean": 0.109, "spread": 0.4241}, "at": 1787323048}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322675, "scored_at": 1787323048, "alerts": [], "rank": 2246}, {"candidate_id": "ODC-378C91", "res_at": 1788263667, "skeleton": "JLXKAZQNMQUBEX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 47.66, "axes": {"activity": 14.06, "binding": 13.63, "selectivity": 9.03, "admet": 4.18, "novelty": 3.82, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.469}, "binding": {"pIC50": 7.04, "LE": 0.345, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.2, "selectivity_term": 0.663, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.744, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.751, "ld50-zhu": 0.916, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.443440770102986, "aff_pf": -1.0447474320729573, "aff_hs": 0.2807101011276245, "repeats_pf": {"runs": 3, "values": [-1.0976, -1.0132, -1.0234], "mean": -1.0447, "spread": 0.0844}, "repeats_hs": {"runs": 3, "values": [0.0746, 0.3962, 0.3713], "mean": 0.2807, "spread": 0.3216}, "at": 1788263667}, "tier": 1, "alerts": [], "total_sd": 0.786, "total_ci95": [46.255, 49.057], "relegate_reason": [], "submitted_at": 1788223256, "scored_at": 1788263667, "rank": 2247}, {"candidate_id": "ODC-F97D63", "res_at": 1787514982, "skeleton": "ZVOXZVXKUSSDCF", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SEL01]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.655, "axes": {"activity": 20.49, "binding": 11.15, "selectivity": 4.58, "admet": 5.05, "novelty": 3.42, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.83, "fraction": 0.683}, "binding": {"pIC50": 6.67, "LE": 0.366, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.728, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.359, "herg": 0.786, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.829539617356187, "aff_pf": -0.6725576519966125, "aff_hs": 0.14953003823757172, "repeats_pf": {"runs": 3, "values": [-0.6468, -0.647, -0.7238], "mean": -0.6726, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [0.1006, 0.2197, 0.1282], "mean": 0.1495, "spread": 0.1191}, "at": 1787514982}, "tier": 1, "relegate_reason": [], "submitted_at": 1787514680, "scored_at": 1787514982, "alerts": [], "rank": 2248}, {"candidate_id": "ODC-0A476B", "res_at": 1787119465, "skeleton": "PUTDHFMIHSWRDI", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 47.654, "axes": {"activity": 18.15, "binding": 13.11, "selectivity": 6.21, "admet": 3.01, "novelty": 4.52, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.689, "fraction": 0.605}, "binding": {"pIC50": 7.07, "LE": 0.285, "potency_term": 0.69, "efficiency_cap": 0.95}, "selectivity": {"fold": 7.9, "selectivity_term": 0.45, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.504, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.322, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.688913806421699, "aff_pf": -1.0708863933881123, "aff_hs": -0.1718203922112783, "repeats_pf": {"runs": 3, "values": [-0.9728, -1.209, -1.0308], "mean": -1.0709, "spread": 0.2362}, "repeats_hs": {"runs": 3, "values": [-0.1067, -0.1541, -0.2547], "mean": -0.1718, "spread": 0.1479}, "at": 1787119465}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101151, "scored_at": 1787119465, "alerts": [], "rank": 2249}, {"candidate_id": "ODC-976F85", "res_at": 1789097911, "skeleton": "CDXLXJOMEUJZDB", "hf_user": "Ku-ku", "display_name": "KK-M-0911-668", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········CCC2F", "total": 47.647, "axes": {"activity": 11.3, "binding": 13.34, "selectivity": 13.34, "admet": 3.16, "novelty": 4.45, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.377}, "binding": {"pIC50": 7.0, "LE": 0.32, "potency_term": 0.667, "efficiency_cap": 1.0}, "selectivity": {"fold": 123.0, "selectivity_term": 1.0, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.355, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.761, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "0", "pAct_q10": 5.277951358626466, "aff_pf": -1.0011494159698486, "aff_hs": 1.0886493921279907, "repeats_pf": {"runs": 3, "values": [-0.9333, -1.0363, -1.0338], "mean": -1.0011, "spread": 0.1029}, "repeats_hs": {"runs": 3, "values": [1.0333, 1.1156, 1.117], "mean": 1.0886, "spread": 0.0837}, "at": 1789097911}, "tier": 1, "alerts": [], "total_sd": 0.494, "total_ci95": [46.415, 48.27], "relegate_reason": [], "submitted_at": 1789089382, "scored_at": 1789097911, "rank": 2250}, {"candidate_id": "ODC-D7DDE0", "res_at": 1786885476, "skeleton": "YIEAKYUVRJBGLD", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.642, "axes": {"activity": 10.44, "binding": 14.66, "selectivity": 12.37, "admet": 5.45, "novelty": 1.28, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.227, "fraction": 0.348}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.6, "selectivity_term": 0.843, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.928, "cyp3a4-substrate-carbonmangels": 0.439, "ld50-zhu": 0.334, "herg": 0.444, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.826, "novelty": 0.174}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "2", "pAct_q10": 5.226666060267989, "aff_pf": -1.1994084119796753, "aff_hs": 0.48747366666793823, "repeats_pf": {"runs": 3, "values": [-1.2118, -1.1646, -1.2218], "mean": -1.1994, "spread": 0.0572}, "repeats_hs": {"runs": 3, "values": [0.3969, 0.5273, 0.5382], "mean": 0.4875, "spread": 0.1413}, "at": 1786885476}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878947, "scored_at": 1786885476, "alerts": [], "rank": 2251}, {"candidate_id": "ODC-62FC16", "res_at": 1789268926, "skeleton": "XIALFXRELJHETA", "hf_user": "Ku-ku", "display_name": "KK-M-0913-917", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1cc··········nc2n1", "total": 47.642, "axes": {"activity": 28.05, "binding": 5.77, "selectivity": 0.0, "admet": 3.33, "novelty": 6.44, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.283, "fraction": 0.935}, "binding": {"pIC50": 6.04, "LE": 0.251, "potency_term": 0.345, "efficiency_cap": 0.835}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.345}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.327, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.84, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 6.2830161651726435, "aff_pf": -0.035505843659242, "aff_hs": -0.13081160187721252, "repeats_pf": {"runs": 3, "values": [0.0015, -0.0967, -0.0113], "mean": -0.0355, "spread": 0.0982}, "repeats_hs": {"runs": 3, "values": [-0.0741, -0.0667, -0.2517], "mean": -0.1308, "spread": 0.185}, "at": 1789268926}, "tier": 1, "alerts": [], "total_sd": 0.168, "total_ci95": [47.402, 48.045], "relegate_reason": [], "submitted_at": 1789263748, "scored_at": 1789268926, "rank": 2252}, {"candidate_id": "ODC-CAA900", "res_at": 1789916183, "skeleton": "JUEVTGFSFHCVAD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 47.641, "axes": {"activity": 14.42, "binding": 15.54, "selectivity": 4.98, "admet": 4.82, "novelty": 4.76, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.481}, "binding": {"pIC50": 7.33, "LE": 0.386, "potency_term": 0.777, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.507, "ld50-zhu": 0.52, "herg": 0.216, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.465247722858926, "aff_pf": -1.3314900000890095, "aff_hs": -0.6911214590072632, "repeats_pf": {"runs": 3, "values": [-1.3474, -1.3524, -1.2946], "mean": -1.3315, "spread": 0.0577}, "repeats_hs": {"runs": 3, "values": [-0.5938, -0.8117, -0.6679], "mean": -0.6911, "spread": 0.2179}, "at": 1789916183}, "tier": 1, "alerts": [], "total_sd": 0.482, "total_ci95": [46.658, 48.442], "relegate_reason": [], "submitted_at": 1789889247, "scored_at": 1789916183, "rank": 2253}, {"candidate_id": "ODC-2DC85C", "res_at": 1788306109, "skeleton": "HTTBGOTUZWOYQG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········2)cc1", "total": 47.631, "axes": {"activity": 17.96, "binding": 12.66, "selectivity": 7.3, "admet": 2.69, "novelty": 3.95, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.599}, "binding": {"pIC50": 7.24, "LE": 0.254, "potency_term": 0.747, "efficiency_cap": 0.848}, "selectivity": {"fold": 9.5, "selectivity_term": 0.489, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.993, "ld50-zhu": 0.632, "herg": 0.05, "dili": 0.142}}, "novelty": {"max_tanimoto": 0.376, "novelty": 0.624}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.677303058667172, "aff_pf": -1.239586631457011, "aff_hs": -0.26119760672251385, "repeats_pf": {"runs": 3, "values": [-1.3072, -1.3167, -1.0949], "mean": -1.2396, "spread": 0.2218}, "repeats_hs": {"runs": 3, "values": [-0.7064, 0.417, -0.4942], "mean": -0.2612, "spread": 1.1234}, "at": 1788306109}, "tier": 1, "alerts": [], "total_sd": 2.631, "total_ci95": [43.263, 52.694], "relegate_reason": [], "submitted_at": 1788275453, "scored_at": 1788306109, "rank": 2254}, {"candidate_id": "ODC-AC6D76", "res_at": 1788531172, "skeleton": "AKPIKAYXTNKVDD", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 47.63, "axes": {"activity": 16.78, "binding": 14.8, "selectivity": 3.41, "admet": 5.0, "novelty": 4.5, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 7.22, "LE": 0.38, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.613, "ld50-zhu": 0.57, "herg": 0.147, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.606700870679558, "aff_pf": -1.2199116945266724, "aff_hs": -0.758638322353363, "repeats_pf": {"runs": 3, "values": [-1.2649, -1.145, -1.2498], "mean": -1.2199, "spread": 0.1198}, "repeats_hs": {"runs": 3, "values": [-0.7675, -0.7135, -0.795], "mean": -0.7586, "spread": 0.0815}, "at": 1788531172}, "tier": 1, "alerts": [], "total_sd": 0.655, "total_ci95": [46.586, 48.691], "relegate_reason": [], "submitted_at": 1788489437, "scored_at": 1788531172, "rank": 2255}, {"candidate_id": "ODC-0C3C1B", "res_at": 1789969133, "skeleton": "FSCHYDPELJJCDN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 47.63, "axes": {"activity": 15.54, "binding": 12.91, "selectivity": 9.33, "admet": 3.95, "novelty": 3.11, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 6.94, "LE": 0.38, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.9, "selectivity_term": 0.722, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.651, "ld50-zhu": 0.58, "herg": 0.121, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.532204660413358, "aff_pf": -0.9363335967063904, "aff_hs": 0.5085130135218302, "repeats_pf": {"runs": 3, "values": [-0.9863, -0.8914, -0.9313], "mean": -0.9363, "spread": 0.0949}, "repeats_hs": {"runs": 3, "values": [0.3199, 0.6641, 0.5415], "mean": 0.5085, "spread": 0.3442}, "at": 1789969133}, "tier": 1, "alerts": [], "total_sd": 0.745, "total_ci95": [46.115, 49.382], "relegate_reason": [], "submitted_at": 1789949166, "scored_at": 1789969133, "rank": 2256}, {"candidate_id": "ODC-00F1AE", "res_at": 1787871568, "skeleton": "CWMDPCBAWJAOSG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)(F)F", "total": 47.625, "axes": {"activity": 21.95, "binding": 10.17, "selectivity": 4.04, "admet": 4.11, "novelty": 4.45, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.917, "fraction": 0.732}, "binding": {"pIC50": 6.53, "LE": 0.331, "potency_term": 0.508, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.508}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.069, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.393, "cyp3a4-substrate-carbonmangels": 0.135, "ld50-zhu": 0.512, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.916972267645526, "aff_pf": -0.5253965457280477, "aff_hs": 0.26855671405792236, "repeats_pf": {"runs": 3, "values": [-0.6569, -0.4497, -0.4696], "mean": -0.5254, "spread": 0.2072}, "repeats_hs": {"runs": 3, "values": [0.2552, 0.3482, 0.2023], "mean": 0.2686, "spread": 0.146}, "at": 1787859163}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806808, "scored_at": 1787859163, "alerts": [], "rank": 2257}, {"candidate_id": "ODC-BAB802", "res_at": 1788868025, "skeleton": "SVGBGTNWFXOSFQ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-14", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········[nH]1", "total": 47.624, "axes": {"activity": 10.4, "binding": 14.8, "selectivity": 10.12, "admet": 3.96, "novelty": 5.24, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.224, "fraction": 0.347}, "binding": {"pIC50": 7.22, "LE": 0.396, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.3, "selectivity_term": 0.684, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.841, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.556, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.2240352505815055, "aff_pf": -1.219753901163737, "aff_hs": 0.14756658424933752, "repeats_pf": {"runs": 3, "values": [-1.249, -1.232, -1.1783], "mean": -1.2198, "spread": 0.0707}, "repeats_hs": {"runs": 3, "values": [0.122, 0.176, 0.1447], "mean": 0.1476, "spread": 0.0539}, "at": 1788868025}, "tier": 1, "alerts": [], "total_sd": 0.433, "total_ci95": [46.704, 48.391], "relegate_reason": [], "submitted_at": 1788856966, "scored_at": 1788868025, "rank": 2258}, {"candidate_id": "ODC-1345A2", "res_at": 1787713177, "skeleton": "CYEIJYYSVMAKHE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCC(F)··········(C)n1", "total": 47.611, "axes": {"activity": 25.3, "binding": 6.13, "selectivity": 0.53, "admet": 7.96, "novelty": 6.47, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 6.118, "fraction": 0.843}, "binding": {"pIC50": 6.06, "LE": 0.26, "potency_term": 0.354, "efficiency_cap": 0.865}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.354}, "admet": {"geometric_mean": 0.629, "per_endpoint": {"solubility-aqsoldb": 0.599, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.936, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.967, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 5.0}}, "run": {"gpu": "3", "pAct_q10": 6.118148476914757, "aff_pf": -0.06306270758310954, "aff_hs": 0.08640459676583608, "repeats_pf": {"runs": 3, "values": [0.0462, -0.1049, -0.1305], "mean": -0.0631, "spread": 0.1766}, "repeats_hs": {"runs": 3, "values": [0.0887, 0.0953, 0.0752], "mean": 0.0864, "spread": 0.02}, "at": 1787713177}, "tier": 1, "relegate_reason": [], "submitted_at": 1787712149, "scored_at": 1787713177, "alerts": [], "rank": 2259}, {"candidate_id": "ODC-A9B481", "res_at": 1789550821, "skeleton": "XQGKCZCAXUBBKV", "hf_user": "Bio-JS", "display_name": "0916-S1-div15", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 47.605, "axes": {"activity": 11.98, "binding": 13.44, "selectivity": 11.37, "admet": 4.62, "novelty": 3.56, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.319, "fraction": 0.399}, "binding": {"pIC50": 7.02, "LE": 0.37, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.3, "selectivity_term": 0.847, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.47, "herg": 0.281, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.318522565653841, "aff_pf": -1.0154937505722046, "aff_hs": 0.6775763829549154, "repeats_pf": {"runs": 3, "values": [-1.1003, -0.9817, -0.9645], "mean": -1.0155, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [0.7333, 0.7093, 0.5902], "mean": 0.6776, "spread": 0.1431}, "at": 1789550821}, "tier": 1, "alerts": [], "total_sd": 0.906, "total_ci95": [46.194, 49.698], "relegate_reason": [], "submitted_at": 1789526850, "scored_at": 1789550821, "rank": 2260}, {"candidate_id": "ODC-3C210F", "res_at": 1787871633, "skeleton": "WUQXETBWZDNTGK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)(F)F", "total": 47.599, "axes": {"activity": 18.85, "binding": 15.45, "selectivity": 1.06, "admet": 4.65, "novelty": 4.43, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.731, "fraction": 0.628}, "binding": {"pIC50": 7.32, "LE": 0.386, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.069, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.434, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.418, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.731047855574315, "aff_pf": -1.3181957801183064, "aff_hs": -1.1803807417551677, "repeats_pf": {"runs": 3, "values": [-1.3612, -1.3696, -1.2238], "mean": -1.3182, "spread": 0.1458}, "repeats_hs": {"runs": 3, "values": [-1.165, -1.168, -1.2081], "mean": -1.1804, "spread": 0.0431}, "at": 1787862027}, "tier": 1, "relegate_reason": [], "submitted_at": 1787806891, "scored_at": 1787862027, "alerts": [], "rank": 2261}, {"candidate_id": "ODC-29BEB2", "res_at": 1788762142, "skeleton": "ZAYOVNYXPJVGQX", "hf_user": "Bio-JS", "display_name": "0906-S1-03 SCF3/CN/R6-H/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 47.587, "axes": {"activity": 9.76, "binding": 15.58, "selectivity": 10.05, "admet": 4.48, "novelty": 4.7, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.185, "fraction": 0.325}, "binding": {"pIC50": 7.34, "LE": 0.372, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.5, "selectivity_term": 0.645, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.168, "ld50-zhu": 0.747, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.185368615198953, "aff_pf": -1.3370566765467327, "aff_hs": -0.04749748110771179, "repeats_pf": {"runs": 3, "values": [-1.2919, -1.3195, -1.3998], "mean": -1.3371, "spread": 0.108}, "repeats_hs": {"runs": 3, "values": [-0.0137, -0.1201, -0.0087], "mean": -0.0475, "spread": 0.1114}, "at": 1788762142}, "tier": 1, "alerts": [], "total_sd": 0.678, "total_ci95": [46.511, 49.104], "relegate_reason": [], "submitted_at": 1788665873, "scored_at": 1788762142, "rank": 2262}, {"candidate_id": "ODC-B6C155", "res_at": 1786937695, "skeleton": "OPPAKDIFTLHXCU", "hf_user": "1Dmeds", "display_name": "ODC26-R2V-05", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.586, "axes": {"activity": 14.79, "binding": 12.64, "selectivity": 9.82, "admet": 4.86, "novelty": 3.06, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 6.9, "LE": 0.411, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.8, "selectivity_term": 0.777, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.502, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.444, "herg": 0.05, "dili": 0.667}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.487234408165993, "aff_pf": -0.8955361843109131, "aff_hs": 0.658811112244924, "repeats_pf": {"runs": 3, "values": [-0.8445, -0.9994, -0.8427], "mean": -0.8955, "spread": 0.1567}, "repeats_hs": {"runs": 3, "values": [0.6489, 0.6766, 0.6509], "mean": 0.6588, "spread": 0.0276}, "at": 1786937695}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930995, "scored_at": 1786937695, "alerts": [], "rank": 2263}, {"candidate_id": "ODC-D95FEA", "res_at": 1788601594, "skeleton": "BXCQZTCGPAZVDY", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 47.555, "axes": {"activity": 6.62, "binding": 16.92, "selectivity": 9.24, "admet": 6.04, "novelty": 5.19, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 4.997, "fraction": 0.221}, "binding": {"pIC50": 7.54, "LE": 0.43, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.546, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.628, "ld50-zhu": 0.483, "herg": 0.337, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 4.997339124234498, "aff_pf": -1.5380326112111409, "aff_hs": -0.4453738232453664, "repeats_pf": {"runs": 3, "values": [-1.5356, -1.5652, -1.5133], "mean": -1.538, "spread": 0.0518}, "repeats_hs": {"runs": 3, "values": [-0.3906, -0.3335, -0.612], "mean": -0.4454, "spread": 0.2785}, "at": 1788601594}, "tier": 1, "alerts": [], "total_sd": 0.675, "total_ci95": [46.171, 48.687], "relegate_reason": [], "submitted_at": 1788583725, "scored_at": 1788601594, "rank": 2264}, {"candidate_id": "ODC-30E4FD", "res_at": 1788517917, "skeleton": "KRHJAILYCSVFKU", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SO2Me/Me/p-CF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.551, "axes": {"activity": 8.78, "binding": 14.23, "selectivity": 13.61, "admet": 5.54, "novelty": 1.95, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.127, "fraction": 0.293}, "binding": {"pIC50": 7.13, "LE": 0.391, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 81.8, "selectivity_term": 0.956, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.886, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.393, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.725, "novelty": 0.275}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.127006585541113, "aff_pf": -1.1340301036834717, "aff_hs": 0.778711199760437, "repeats_pf": {"runs": 3, "values": [-1.026, -1.1737, -1.2024], "mean": -1.134, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [0.723, 0.7556, 0.8576], "mean": 0.7787, "spread": 0.1345}, "at": 1788517917}, "tier": 1, "alerts": [], "total_sd": 1.129, "total_ci95": [44.933, 49.295], "relegate_reason": [], "submitted_at": 1788487557, "scored_at": 1788517917, "rank": 2265}, {"candidate_id": "ODC-744D75", "res_at": 1789304610, "skeleton": "QZNSLBBGAQKFCN", "hf_user": "trblnfxn", "display_name": "NC-WIN-05_cHexPropAm", "model_name": "Hermes-500Da-Champion-v7", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.551, "axes": {"activity": 25.93, "binding": 5.48, "selectivity": 3.34, "admet": 3.59, "novelty": 5.42, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.156, "fraction": 0.864}, "binding": {"pIC50": 6.02, "LE": 0.242, "potency_term": 0.339, "efficiency_cap": 0.808}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.346, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.819, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 6.155626788605535, "aff_pf": -0.01636337737242381, "aff_hs": 0.9700018763542175, "repeats_pf": {"runs": 3, "values": [0.0483, -0.0364, -0.061], "mean": -0.0164, "spread": 0.1093}, "repeats_hs": {"runs": 3, "values": [0.8218, 0.8928, 1.1954], "mean": 0.97, "spread": 0.3735}, "at": 1789304610}, "tier": 1, "alerts": [], "total_sd": 0.499, "total_ci95": [46.677, 48.579], "relegate_reason": [], "submitted_at": 1789299105, "scored_at": 1789304610, "rank": 2266}, {"candidate_id": "ODC-4D42D9", "res_at": 1787125002, "skeleton": "ZRNLWJBCNGECDG", "hf_user": "takutoyo", "display_name": "PfD7-A2", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC#Cc1c··········nc2n1", "total": 47.548, "axes": {"activity": 18.64, "binding": 13.68, "selectivity": 4.6, "admet": 3.7, "novelty": 4.31, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.718, "fraction": 0.621}, "binding": {"pIC50": 7.05, "LE": 0.386, "potency_term": 0.684, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.684}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.141, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.331, "herg": 0.285, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.718318539793321, "aff_pf": -1.0522011518478394, "aff_hs": -0.379646360874176, "repeats_pf": {"runs": 3, "values": [-1.0332, -1.1262, -0.9972], "mean": -1.0522, "spread": 0.129}, "repeats_hs": {"runs": 3, "values": [-0.3368, -0.4453, -0.3568], "mean": -0.3796, "spread": 0.1084}, "at": 1787125002}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108167, "scored_at": 1787125002, "alerts": [], "rank": 2267}, {"candidate_id": "ODC-F4142E", "res_at": 1788569965, "skeleton": "DUPPRNUFSXDIEZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D05", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 47.53, "axes": {"activity": 14.66, "binding": 14.82, "selectivity": 5.38, "admet": 4.58, "novelty": 5.27, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 7.27, "LE": 0.293, "potency_term": 0.758, "efficiency_cap": 0.977}, "selectivity": {"fold": 5.1, "selectivity_term": 0.355, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.346, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.605, "herg": 0.05, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 5.4798882321001345, "aff_pf": -1.2748346328735352, "aff_hs": -0.5647348165512085, "repeats_pf": {"runs": 3, "values": [-1.2143, -1.2442, -1.366], "mean": -1.2748, "spread": 0.1517}, "repeats_hs": {"runs": 3, "values": [-0.5127, -0.6543, -0.5272], "mean": -0.5647, "spread": 0.1417}, "at": 1788569965}, "tier": 1, "alerts": [], "total_sd": 1.003, "total_ci95": [45.823, 49.552], "relegate_reason": [], "submitted_at": 1788555356, "scored_at": 1788569965, "rank": 2268}, {"candidate_id": "ODC-9BCB80", "res_at": 1789529335, "skeleton": "FDWKPLHROWONRY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 47.529, "axes": {"activity": 8.96, "binding": 18.01, "selectivity": 7.27, "admet": 5.1, "novelty": 4.11, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 5.138, "fraction": 0.299}, "binding": {"pIC50": 7.7, "LE": 0.459, "potency_term": 0.901, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.404, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.727, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.595, "herg": 0.117, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.137564649335873, "aff_pf": -1.7016132672627766, "aff_hs": -0.8943084478378296, "repeats_pf": {"runs": 3, "values": [-1.6913, -1.7002, -1.7133], "mean": -1.7016, "spread": 0.022}, "repeats_hs": {"runs": 3, "values": [-0.7375, -1.2028, -0.7426], "mean": -0.8943, "spread": 0.4653}, "at": 1789529335}, "tier": 1, "alerts": [], "total_sd": 1.124, "total_ci95": [45.965, 49.115], "relegate_reason": [], "submitted_at": 1789524778, "scored_at": 1789529335, "rank": 2269}, {"candidate_id": "ODC-BDE04D", "res_at": 1786894441, "skeleton": "OHRYDJOQONZZJK", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 47.528, "axes": {"activity": 12.39, "binding": 13.44, "selectivity": 11.63, "admet": 4.08, "novelty": 3.3, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 7.02, "LE": 0.37, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.7, "selectivity_term": 0.865, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.781, "cyp2c9-veith": 0.417, "cyp3a4-substrate-carbonmangels": 0.107, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.3434678358644625, "aff_pf": -1.0160109996795654, "aff_hs": 0.7141788999239603, "repeats_pf": {"runs": 3, "values": [-1.0304, -1.0011, -1.0165], "mean": -1.016, "spread": 0.0293}, "repeats_hs": {"runs": 3, "values": [0.7395, 0.68, 0.7231], "mean": 0.7142, "spread": 0.0594}, "at": 1786894441}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887598, "scored_at": 1786894441, "alerts": [], "rank": 2270}, {"candidate_id": "ODC-2F3506", "res_at": 1786846402, "skeleton": "LAIHYDPNUZPMHA", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "claude science(Opus5)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.518, "axes": {"activity": 10.32, "binding": 14.38, "selectivity": 11.89, "admet": 5.64, "novelty": 2.16, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 7.16, "LE": 0.363, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.1, "selectivity_term": 0.827, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.348, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.808, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.51, "herg": 0.246, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.218993278730191, "aff_pf": -1.1568569739659627, "aff_hs": 0.49738164742787677, "repeats_pf": {"runs": 3, "values": [-1.1935, -1.1391, -1.1379], "mean": -1.1569, "spread": 0.0556}, "repeats_hs": {"runs": 3, "values": [0.3188, 0.5065, 0.6669], "mean": 0.4974, "spread": 0.3481}, "at": 1786846402}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837095, "scored_at": 1786846402, "alerts": [], "rank": 2271}, {"candidate_id": "ODC-21107F", "res_at": 1789926525, "skeleton": "KLBTUPQASLLAAM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.518, "axes": {"activity": 15.43, "binding": 16.56, "selectivity": 3.9, "admet": 4.58, "novelty": 4.34, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.526, "fraction": 0.514}, "binding": {"pIC50": 7.48, "LE": 0.38, "potency_term": 0.828, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.828}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.19, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "2", "pAct_q10": 5.525990431657304, "aff_pf": -1.4836680094401042, "aff_hs": -1.0121209224065144, "repeats_pf": {"runs": 3, "values": [-1.4033, -1.5277, -1.52], "mean": -1.4837, "spread": 0.1245}, "repeats_hs": {"runs": 3, "values": [-1.0191, -0.9912, -1.0261], "mean": -1.0121, "spread": 0.0349}, "at": 1789926525}, "tier": 1, "alerts": [], "total_sd": 0.648, "total_ci95": [46.604, 48.537], "relegate_reason": [], "submitted_at": 1789918927, "scored_at": 1789926525, "rank": 2272}, {"candidate_id": "ODC-504247", "res_at": 1789972801, "skeleton": "XIIZAZCJNSOAIZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.512, "axes": {"activity": 17.59, "binding": 17.65, "selectivity": 0.21, "admet": 4.62, "novelty": 4.34, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.656, "fraction": 0.586}, "binding": {"pIC50": 7.65, "LE": 0.419, "potency_term": 0.883, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.012, "target_engagement": 0.883}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.818, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.907, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "2", "pAct_q10": 5.655571510618499, "aff_pf": -1.647656758626302, "aff_hs": -1.6243205070495605, "repeats_pf": {"runs": 3, "values": [-1.6813, -1.6495, -1.6122], "mean": -1.6477, "spread": 0.0691}, "repeats_hs": {"runs": 3, "values": [-1.5764, -1.6524, -1.6442], "mean": -1.6243, "spread": 0.0761}, "at": 1789972801}, "tier": 1, "alerts": [], "total_sd": 0.314, "total_ci95": [46.908, 48.203], "relegate_reason": [], "submitted_at": 1789918990, "scored_at": 1789972801, "rank": 2273}, {"candidate_id": "ODC-BEAC02", "res_at": 1787566036, "skeleton": "OCKDXLXWLAOLDB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 47.473, "axes": {"activity": 17.96, "binding": 10.65, "selectivity": 9.65, "admet": 2.62, "novelty": 3.99, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.599}, "binding": {"pIC50": 6.84, "LE": 0.26, "potency_term": 0.614, "efficiency_cap": 0.868}, "selectivity": {"fold": 37.3, "selectivity_term": 0.786, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.342, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.677422577483953, "aff_pf": -0.8414251208305359, "aff_hs": 0.7302916248639425, "repeats_pf": {"runs": 3, "values": [-0.9382, -0.7106, -0.8754], "mean": -0.8414, "spread": 0.2275}, "repeats_hs": {"runs": 3, "values": [0.81, 0.7898, 0.5911], "mean": 0.7303, "spread": 0.2189}, "at": 1787566036}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557233, "scored_at": 1787566036, "alerts": [], "rank": 2274}, {"candidate_id": "ODC-041775", "res_at": 1788767016, "skeleton": "GWKFDIMUJTWWQN", "hf_user": "Bio-JS", "display_name": "0906-S1-11 SMe/CN/R6-H/p-SCF3/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.463, "axes": {"activity": 14.01, "binding": 15.16, "selectivity": 6.7, "admet": 4.59, "novelty": 3.91, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 7.27, "LE": 0.383, "potency_term": 0.758, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.442, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.242, "ld50-zhu": 0.836, "herg": 0.154, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.440875495975086, "aff_pf": -1.2745982805887859, "aff_hs": -0.3909616470336914, "repeats_pf": {"runs": 3, "values": [-1.2279, -1.2936, -1.3024], "mean": -1.2746, "spread": 0.0745}, "repeats_hs": {"runs": 3, "values": [-0.4569, -0.3737, -0.3423], "mean": -0.391, "spread": 0.1146}, "at": 1788767016}, "tier": 1, "alerts": [], "total_sd": 0.494, "total_ci95": [46.626, 48.312], "relegate_reason": [], "submitted_at": 1788665967, "scored_at": 1788767016, "rank": 2275}, {"candidate_id": "ODC-387816", "res_at": 1786843553, "skeleton": "DTRPWANIEIRJII", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "CC(F)(F)c1nc2nc(CO)cc(Nc3ccc(Br)c(F)c3)n2n1", "smiles_masked": null, "total": 47.45, "axes": {"activity": 11.12, "binding": 15.1, "selectivity": 9.02, "admet": 5.5, "novelty": 3.41, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.267, "fraction": 0.371}, "binding": {"pIC50": 7.26, "LE": 0.415, "potency_term": 0.755, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.597, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.493, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.267, "ld50-zhu": 0.272, "herg": 0.354, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.267012845849557, "aff_pf": -1.264264186223348, "aff_hs": -0.06951020161310832, "repeats_pf": {"runs": 3, "values": [-1.2586, -1.2418, -1.2924], "mean": -1.2643, "spread": 0.0505}, "repeats_hs": {"runs": 3, "values": [-0.1163, 0.029, -0.1212], "mean": -0.0695, "spread": 0.1502}, "at": 1786843553}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833068, "scored_at": 1786843553, "alerts": [], "rank": 2276}, {"candidate_id": "ODC-C3DF9C", "res_at": 1787731934, "skeleton": "HALBEMOXGMWWNT", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5Cl-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 47.433, "axes": {"activity": 26.95, "binding": 6.24, "selectivity": 1.05, "admet": 3.49, "novelty": 5.95, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.217, "fraction": 0.898}, "binding": {"pIC50": 6.11, "LE": 0.254, "potency_term": 0.369, "efficiency_cap": 0.845}, "selectivity": {"fold": 1.9, "selectivity_term": 0.142, "target_engagement": 0.369}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 0.995, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.054, "ld50-zhu": 0.615, "herg": 0.12, "dili": 0.169}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.2171859589407825, "aff_pf": -0.10713212688763936, "aff_hs": 0.1775024433930715, "repeats_pf": {"runs": 3, "values": [-1.1655, 0.4787, 0.3654], "mean": -0.1071, "spread": 1.6443}, "repeats_hs": {"runs": 3, "values": [0.0556, 0.3, 0.1769], "mean": 0.1775, "spread": 0.2444}, "at": 1787731934}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728368, "scored_at": 1787731934, "alerts": [], "rank": 2277}, {"candidate_id": "ODC-79B416", "res_at": 1787510578, "skeleton": "ARUZXQXEHZNEMP", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-ZEN01]", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCc1··········nc2n1", "total": 47.422, "axes": {"activity": 22.81, "binding": 10.2, "selectivity": 3.59, "admet": 3.65, "novelty": 3.98, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.969, "fraction": 0.76}, "binding": {"pIC50": 6.58, "LE": 0.291, "potency_term": 0.526, "efficiency_cap": 0.969}, "selectivity": {"fold": 4.8, "selectivity_term": 0.341, "target_engagement": 0.526}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.527, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.647, "ld50-zhu": 0.663, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.9685539868566435, "aff_pf": -0.5789779424667358, "aff_hs": 0.10226742178201675, "repeats_pf": {"runs": 3, "values": [-0.5851, -0.5958, -0.556], "mean": -0.579, "spread": 0.0398}, "repeats_hs": {"runs": 3, "values": [0.0576, 0.2399, 0.0094], "mean": 0.1023, "spread": 0.2305}, "at": 1787510578}, "tier": 1, "relegate_reason": [], "submitted_at": 1787510368, "scored_at": 1787510578, "alerts": [], "rank": 2278}, {"candidate_id": "ODC-EA254B", "res_at": 1786831033, "skeleton": "CUCVTDOXQYMYKL", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.42, "axes": {"activity": 13.74, "binding": 14.53, "selectivity": 9.85, "admet": 4.83, "novelty": 0.99, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.425, "fraction": 0.458}, "binding": {"pIC50": 7.18, "LE": 0.393, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.7, "selectivity_term": 0.678, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.35, "herg": 0.14, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.864, "novelty": 0.136}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.42450479417131, "aff_pf": -1.1792651812235515, "aff_hs": 0.17696220676104227, "repeats_pf": {"runs": 3, "values": [-1.216, -1.2026, -1.1192], "mean": -1.1793, "spread": 0.0969}, "repeats_hs": {"runs": 3, "values": [0.1064, 0.2267, 0.1978], "mean": 0.177, "spread": 0.1203}, "at": 1786831033}, "tier": 1, "relegate_reason": [], "submitted_at": 1786795635, "scored_at": 1786831033, "alerts": [], "rank": 2279}, {"candidate_id": "ODC-FB67EB", "res_at": 1789997702, "skeleton": "XSGSLPXJAIJLMW", "hf_user": "Bio-JS", "display_name": "0921-S1-29", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.406, "axes": {"activity": 13.7, "binding": 15.9, "selectivity": 5.31, "admet": 5.02, "novelty": 3.84, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 7.39, "LE": 0.405, "potency_term": 0.795, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.931, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.901, "ld50-zhu": 0.697, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.422224426180051, "aff_pf": -1.3850889205932617, "aff_hs": -0.7175915042559305, "repeats_pf": {"runs": 3, "values": [-1.3591, -1.39, -1.4061], "mean": -1.3851, "spread": 0.047}, "repeats_hs": {"runs": 3, "values": [-0.7026, -0.716, -0.7341], "mean": -0.7176, "spread": 0.0315}, "at": 1789997702}, "tier": 1, "alerts": [], "total_sd": 0.253, "total_ci95": [46.883, 47.837], "relegate_reason": [], "submitted_at": 1789990627, "scored_at": 1789997702, "rank": 2280}, {"candidate_id": "ODC-553D18", "res_at": 1789109740, "skeleton": "QFBSBAQQHMJGCA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.405, "axes": {"activity": 14.33, "binding": 16.5, "selectivity": 5.39, "admet": 4.73, "novelty": 2.99, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.46, "fraction": 0.478}, "binding": {"pIC50": 7.47, "LE": 0.394, "potency_term": 0.825, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.638, "novelty": 0.362}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.459702273199982, "aff_pf": -1.4742953379948933, "aff_hs": -0.8204690217971802, "repeats_pf": {"runs": 3, "values": [-1.478, -1.5164, -1.4284], "mean": -1.4743, "spread": 0.088}, "repeats_hs": {"runs": 3, "values": [-0.8226, -0.8058, -0.833], "mean": -0.8205, "spread": 0.0272}, "at": 1789109740}, "tier": 1, "alerts": [], "total_sd": 0.466, "total_ci95": [46.671, 48.321], "relegate_reason": [], "submitted_at": 1789094116, "scored_at": 1789109740, "rank": 2281}, {"candidate_id": "ODC-594518", "res_at": 1789997481, "skeleton": "QSHAWXRQFIYZPC", "hf_user": "Bio-JS", "display_name": "0921-S1-21", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········cc1Cl", "total": 47.391, "axes": {"activity": 22.03, "binding": 11.58, "selectivity": 2.96, "admet": 3.34, "novelty": 4.47, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.922, "fraction": 0.734}, "binding": {"pIC50": 6.74, "LE": 0.342, "potency_term": 0.579, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.255, "target_engagement": 0.579}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.545, "herg": 0.181, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.921754909439954, "aff_pf": -0.7366975744565328, "aff_hs": -0.22598402947187424, "repeats_pf": {"runs": 3, "values": [-0.7828, -0.7982, -0.6291], "mean": -0.7367, "spread": 0.1691}, "repeats_hs": {"runs": 3, "values": [-0.3477, -0.1164, -0.2139], "mean": -0.226, "spread": 0.2314}, "at": 1789997481}, "tier": 1, "alerts": [], "total_sd": 0.727, "total_ci95": [45.73, 48.585], "relegate_reason": [], "submitted_at": 1789990408, "scored_at": 1789997481, "rank": 2282}, {"candidate_id": "ODC-613692", "res_at": 1788968784, "skeleton": "FWYOTYGCSPRCGG", "hf_user": "Ku-ku", "display_name": "KK-M-0910-579", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········nc2n1", "total": 47.387, "axes": {"activity": 19.53, "binding": 11.3, "selectivity": 6.62, "admet": 3.73, "novelty": 3.78, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.772, "fraction": 0.651}, "binding": {"pIC50": 6.69, "LE": 0.306, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.586, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.686, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.112, "ld50-zhu": 0.687, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 5.7716077719752565, "aff_pf": -0.694903294245402, "aff_hs": 0.4769141574700673, "repeats_pf": {"runs": 3, "values": [-0.645, -0.7823, -0.6574], "mean": -0.6949, "spread": 0.1372}, "repeats_hs": {"runs": 3, "values": [0.615, 0.2886, 0.5272], "mean": 0.4769, "spread": 0.3264}, "at": 1788968784}, "tier": 1, "alerts": [], "total_sd": 0.803, "total_ci95": [46.053, 49.004], "relegate_reason": [], "submitted_at": 1788967902, "scored_at": 1788968784, "rank": 2283}, {"candidate_id": "ODC-047D0B", "res_at": 1787871579, "skeleton": "BANNSPCNDLCDFG", "hf_user": "Moonweave", "display_name": "M5AI-F12-AKO-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········)cc1F", "total": 47.377, "axes": {"activity": 14.44, "binding": 13.61, "selectivity": 9.51, "admet": 2.49, "novelty": 4.29, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.466, "fraction": 0.481}, "binding": {"pIC50": 7.04, "LE": 0.333, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.319}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.466336253741902, "aff_pf": -1.0408169428507488, "aff_hs": 0.35718926787376404, "repeats_pf": {"runs": 3, "values": [-1.048, -1.0105, -1.064], "mean": -1.0408, "spread": 0.0535}, "repeats_hs": {"runs": 3, "values": [0.3457, 0.394, 0.3318], "mean": 0.3572, "spread": 0.0622}, "at": 1787841763}, "tier": 1, "relegate_reason": [], "submitted_at": 1787790913, "scored_at": 1787841763, "alerts": [], "rank": 2284}, {"candidate_id": "ODC-371030", "res_at": 1786877552, "skeleton": "XMNCZDQOORKGEG", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.377, "axes": {"activity": 6.95, "binding": 17.34, "selectivity": 8.98, "admet": 5.54, "novelty": 5.14, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.017, "fraction": 0.232}, "binding": {"pIC50": 7.6, "LE": 0.417, "potency_term": 0.867, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.518, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.32, "ld50-zhu": 0.686, "herg": 0.435, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.017168020749968, "aff_pf": -1.6004375219345093, "aff_hs": -0.5641625126202902, "repeats_pf": {"runs": 3, "values": [-1.5636, -1.6338, -1.6038], "mean": -1.6004, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [-0.5691, -0.6282, -0.4952], "mean": -0.5642, "spread": 0.133}, "at": 1786877552}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867897, "scored_at": 1786877552, "alerts": [], "rank": 2285}, {"candidate_id": "ODC-6223E9", "res_at": 1788062630, "skeleton": "ZUTGCBSARDGXRJ", "hf_user": "Bio-JS", "display_name": "12 A2 오쏘 C->N/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 47.373, "axes": {"activity": 18.22, "binding": 12.08, "selectivity": 7.59, "admet": 2.85, "novelty": 4.38, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 7.03, "LE": 0.268, "potency_term": 0.677, "efficiency_cap": 0.892}, "selectivity": {"fold": 13.2, "selectivity_term": 0.561, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.692923027957279, "aff_pf": -1.0319101413091023, "aff_hs": 0.0892266978820165, "repeats_pf": {"runs": 3, "values": [-0.8541, -1.0365, -1.2051], "mean": -1.0319, "spread": 0.3511}, "repeats_hs": {"runs": 3, "values": [0.1023, 0.09, 0.0754], "mean": 0.0892, "spread": 0.0269}, "at": 1788062630}, "tier": 1, "alerts": [], "total_sd": 1.7, "total_ci95": [44.354, 51.62], "relegate_reason": [], "submitted_at": 1788017389, "scored_at": 1788062630, "rank": 2286}, {"candidate_id": "ODC-D35696", "res_at": 1787054353, "skeleton": "GYHUYNZMTGIURX", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.358, "axes": {"activity": 16.2, "binding": 12.55, "selectivity": 7.97, "admet": 4.45, "novelty": 3.49, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.572, "fraction": 0.54}, "binding": {"pIC50": 6.88, "LE": 0.349, "potency_term": 0.627, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.822, "ld50-zhu": 0.841, "herg": 0.255, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.572107874143302, "aff_pf": -0.8823995391527811, "aff_hs": 0.38821860154469806, "repeats_pf": {"runs": 3, "values": [-0.8766, -0.8389, -0.9318], "mean": -0.8824, "spread": 0.0929}, "repeats_hs": {"runs": 3, "values": [0.3074, 0.3278, 0.5295], "mean": 0.3882, "spread": 0.2221}, "at": 1787054353}, "tier": 1, "relegate_reason": [], "submitted_at": 1787053618, "scored_at": 1787054353, "alerts": [], "rank": 2287}, {"candidate_id": "ODC-8EF472", "res_at": 1788303793, "skeleton": "MBPZHHGETMDZCX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 47.346, "axes": {"activity": 17.31, "binding": 11.29, "selectivity": 10.16, "admet": 2.44, "novelty": 3.31, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 7.01, "LE": 0.253, "potency_term": 0.67, "efficiency_cap": 0.842}, "selectivity": {"fold": 32.8, "selectivity_term": 0.758, "target_engagement": 0.67}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.125}}, "novelty": {"max_tanimoto": 0.427, "novelty": 0.573}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.638611775411162, "aff_pf": -1.0103394985198975, "aff_hs": 0.5051573167244593, "repeats_pf": {"runs": 3, "values": [-1.2733, -0.9322, -0.8256], "mean": -1.0103, "spread": 0.4477}, "repeats_hs": {"runs": 3, "values": [0.2116, 0.6313, 0.6726], "mean": 0.5052, "spread": 0.4609}, "at": 1788303793}, "tier": 1, "alerts": [], "total_sd": 2.577, "total_ci95": [43.738, 53.893], "relegate_reason": [], "submitted_at": 1788276472, "scored_at": 1788303793, "rank": 2288}, {"candidate_id": "ODC-0CE157", "res_at": 1789009327, "skeleton": "OJDRAIBGCQQQEZ", "hf_user": "Bio-JS", "display_name": "0910c-S1-07", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 47.329, "axes": {"activity": 9.03, "binding": 13.29, "selectivity": 12.87, "admet": 5.43, "novelty": 3.65, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.142, "fraction": 0.301}, "binding": {"pIC50": 6.99, "LE": 0.436, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 86.5, "selectivity_term": 0.968, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.365, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.1415824467246605, "aff_pf": -0.9940430521965027, "aff_hs": 0.9427715341250101, "repeats_pf": {"runs": 3, "values": [-1.013, -0.8975, -1.0716], "mean": -0.994, "spread": 0.1741}, "repeats_hs": {"runs": 3, "values": [0.9241, 1.0083, 0.896], "mean": 0.9428, "spread": 0.1123}, "at": 1789009327}, "tier": 1, "alerts": [], "total_sd": 1.057, "total_ci95": [44.923, 49.255], "relegate_reason": [], "submitted_at": 1789006220, "scored_at": 1789009327, "rank": 2289}, {"candidate_id": "ODC-AE6FDF", "res_at": 1789244256, "skeleton": "ZIDBDFUYMQNONS", "hf_user": "Bio-JS", "display_name": "0913-S1-div25", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 47.324, "axes": {"activity": 19.47, "binding": 10.83, "selectivity": 5.75, "admet": 4.42, "novelty": 4.17, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.768, "fraction": 0.649}, "binding": {"pIC50": 6.62, "LE": 0.349, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.53, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.495, "ld50-zhu": 0.411, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.768484980885925, "aff_pf": -0.6249535083770752, "aff_hs": 0.435933252175649, "repeats_pf": {"runs": 3, "values": [-0.5339, -0.7673, -0.5737], "mean": -0.625, "spread": 0.2335}, "repeats_hs": {"runs": 3, "values": [0.6454, 0.3866, 0.2758], "mean": 0.4359, "spread": 0.3695}, "at": 1789244256}, "tier": 1, "alerts": [], "total_sd": 1.052, "total_ci95": [45.493, 49.525], "relegate_reason": [], "submitted_at": 1789226380, "scored_at": 1789244256, "rank": 2290}, {"candidate_id": "ODC-56C859", "res_at": 1787320026, "skeleton": "FYTGLBXCQOGBEL", "hf_user": "takutoyo", "display_name": "PfD12-24", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 47.316, "axes": {"activity": 15.76, "binding": 16.01, "selectivity": 4.44, "admet": 3.12, "novelty": 5.43, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.546, "fraction": 0.525}, "binding": {"pIC50": 7.41, "LE": 0.299, "potency_term": 0.804, "efficiency_cap": 0.996}, "selectivity": {"fold": 3.6, "selectivity_term": 0.276, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.876, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.545760462738874, "aff_pf": -1.4119956493377686, "aff_hs": -0.8601404825846354, "repeats_pf": {"runs": 3, "values": [-1.3539, -1.393, -1.4891], "mean": -1.412, "spread": 0.1351}, "repeats_hs": {"runs": 3, "values": [-1.1775, -0.6772, -0.7257], "mean": -0.8601, "spread": 0.5003}, "at": 1787320026}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315972, "scored_at": 1787320026, "alerts": [], "rank": 2291}, {"candidate_id": "ODC-9E3695", "res_at": 1786829936, "skeleton": "YMICARHNCTVXTA", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.316, "axes": {"activity": 16.08, "binding": 14.03, "selectivity": 7.86, "admet": 3.43, "novelty": 2.56, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 7.1, "LE": 0.406, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.2, "selectivity_term": 0.56, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.804, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.484, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.564729508959761, "aff_pf": -1.1046334505081177, "aff_hs": 0.016110042730967205, "repeats_pf": {"runs": 3, "values": [-1.1047, -1.0907, -1.1185], "mean": -1.1046, "spread": 0.0278}, "repeats_hs": {"runs": 3, "values": [0.0463, 0.0242, -0.0222], "mean": 0.0161, "spread": 0.0685}, "at": 1786829936}, "tier": 1, "relegate_reason": [], "submitted_at": 1786792159, "scored_at": 1786829936, "alerts": [], "rank": 2292}, {"candidate_id": "ODC-52F909", "res_at": 1787559370, "skeleton": "AHPWUIODBFWBEE", "hf_user": "takutoyo", "display_name": "PfD16-13", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········2)n1C", "total": 47.315, "axes": {"activity": 20.89, "binding": 10.42, "selectivity": 6.2, "admet": 2.56, "novelty": 4.45, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.853, "fraction": 0.696}, "binding": {"pIC50": 6.56, "LE": 0.3, "potency_term": 0.521, "efficiency_cap": 0.999}, "selectivity": {"fold": 15.4, "selectivity_term": 0.594, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.8531296835509945, "aff_pf": -0.5640158851941427, "aff_hs": 0.6247178912162781, "repeats_pf": {"runs": 3, "values": [-0.5941, -0.5449, -0.5531], "mean": -0.564, "spread": 0.0492}, "repeats_hs": {"runs": 3, "values": [0.4233, 0.9258, 0.5251], "mean": 0.6247, "spread": 0.5025}, "at": 1787559370}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544150, "scored_at": 1787559370, "alerts": [], "rank": 2293}, {"candidate_id": "ODC-AC6D6F", "res_at": 1789107343, "skeleton": "UAEHGCNGAZZNQC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.315, "axes": {"activity": 13.09, "binding": 16.52, "selectivity": 5.16, "admet": 5.34, "novelty": 3.64, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.436}, "binding": {"pIC50": 7.48, "LE": 0.41, "potency_term": 0.826, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.594, "herg": 0.179, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.385548079112244, "aff_pf": -1.4785234133402507, "aff_hs": -0.8535903890927633, "repeats_pf": {"runs": 3, "values": [-1.4679, -1.4624, -1.5053], "mean": -1.4785, "spread": 0.0429}, "repeats_hs": {"runs": 3, "values": [-0.5717, -1.0048, -0.9843], "mean": -0.8536, "spread": 0.4331}, "at": 1789107343}, "tier": 1, "alerts": [], "total_sd": 1.032, "total_ci95": [45.815, 49.645], "relegate_reason": [], "submitted_at": 1789093749, "scored_at": 1789107343, "rank": 2294}, {"candidate_id": "ODC-8F21C2", "res_at": 1786898643, "skeleton": "XTMHENCKPZPARN", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M-N2 나이트릴", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.312, "axes": {"activity": 21.3, "binding": 10.85, "selectivity": 3.24, "admet": 5.11, "novelty": 3.72, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.878, "fraction": 0.71}, "binding": {"pIC50": 6.63, "LE": 0.378, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.299, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.483, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 0.434, "herg": 0.807, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.877797118473331, "aff_pf": -0.626928706963857, "aff_hs": -0.02911653369665146, "repeats_pf": {"runs": 3, "values": [-0.7821, -0.5089, -0.5897], "mean": -0.6269, "spread": 0.2731}, "repeats_hs": {"runs": 3, "values": [-0.1601, 0.0902, -0.0174], "mean": -0.0291, "spread": 0.2503}, "at": 1786898643}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892827, "scored_at": 1786898643, "alerts": [], "rank": 2295}, {"candidate_id": "ODC-D10EAD", "res_at": 1787721707, "skeleton": "PFWYIYOWGYYAEE", "hf_user": "Moonweave", "display_name": "M5AI-F2POS-CAND-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········F)c1F", "total": 47.311, "axes": {"activity": 18.97, "binding": 14.1, "selectivity": 3.96, "admet": 3.04, "novelty": 4.05, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.738, "fraction": 0.632}, "binding": {"pIC50": 7.11, "LE": 0.325, "potency_term": 0.705, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.281, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.304, "ld50-zhu": 0.515, "herg": 0.13, "dili": 0.203}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.738142835680573, "aff_pf": -1.1146647135416667, "aff_hs": -0.5526314377784729, "repeats_pf": {"runs": 3, "values": [-1.086, -1.144, -1.114], "mean": -1.1147, "spread": 0.058}, "repeats_hs": {"runs": 3, "values": [-0.5849, -0.3666, -0.7065], "mean": -0.5526, "spread": 0.3399}, "at": 1787721707}, "tier": 1, "relegate_reason": [], "submitted_at": 1787718680, "scored_at": 1787721707, "alerts": [], "rank": 2296}, {"candidate_id": "ODC-F8EA4D", "res_at": 1789108882, "skeleton": "BVWYKDNYRLUUII", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.307, "axes": {"activity": 13.76, "binding": 13.29, "selectivity": 10.61, "admet": 4.6, "novelty": 2.13, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.5, "selectivity_term": 0.798, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.537, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.706, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.425821085385012, "aff_pf": -0.9938895304997762, "aff_hs": 0.6030870874722799, "repeats_pf": {"runs": 3, "values": [-0.9048, -0.9505, -1.1263], "mean": -0.9939, "spread": 0.2215}, "repeats_hs": {"runs": 3, "values": [0.5897, 0.6029, 0.6167], "mean": 0.6031, "spread": 0.027}, "at": 1789108882}, "tier": 1, "alerts": [], "total_sd": 1.333, "total_ci95": [45.242, 50.442], "relegate_reason": [], "submitted_at": 1789093978, "scored_at": 1789108882, "rank": 2297}, {"candidate_id": "ODC-AFDF81", "res_at": 1789189572, "skeleton": "LORWGCKQTLHARL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.301, "axes": {"activity": 15.48, "binding": 13.61, "selectivity": 7.54, "admet": 4.06, "novelty": 3.77, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.529, "fraction": 0.516}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.8, "selectivity_term": 0.554, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.434, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.493, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.528980627408294, "aff_pf": -1.0410422484079997, "aff_hs": 0.06745415429274242, "repeats_pf": {"runs": 3, "values": [-1.1274, -0.9735, -1.0222], "mean": -1.041, "spread": 0.154}, "repeats_hs": {"runs": 3, "values": [0.2138, -0.0455, 0.0341], "mean": 0.0675, "spread": 0.2593}, "at": 1789189572}, "tier": 1, "alerts": [], "total_sd": 0.882, "total_ci95": [45.763, 49.103], "relegate_reason": [], "submitted_at": 1789174796, "scored_at": 1789189572, "rank": 2298}, {"candidate_id": "ODC-0CD5FE", "res_at": 1788472492, "skeleton": "XSGOKTYWRIYOMS", "hf_user": "Ku-ku", "display_name": "KK-M-0903-332", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.297, "axes": {"activity": 15.18, "binding": 14.22, "selectivity": 6.06, "admet": 4.53, "novelty": 4.46, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.511, "fraction": 0.506}, "binding": {"pIC50": 7.13, "LE": 0.391, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.426, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.256, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.466, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.510634169475514, "aff_pf": -1.1326038440068562, "aff_hs": -0.2796735068162282, "repeats_pf": {"runs": 3, "values": [-1.1192, -1.1415, -1.1372], "mean": -1.1326, "spread": 0.0223}, "repeats_hs": {"runs": 3, "values": [0.157, -0.5893, -0.4067], "mean": -0.2797, "spread": 0.7463}, "at": 1788472492}, "tier": 1, "alerts": [], "total_sd": 1.288, "total_ci95": [45.402, 50.368], "relegate_reason": [], "submitted_at": 1788407859, "scored_at": 1788472492, "rank": 2299}, {"candidate_id": "ODC-FC497F", "res_at": 1787737251, "skeleton": "AKTJTTXAJXDTAL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········cc1Br", "total": 47.289, "axes": {"activity": 18.03, "binding": 15.31, "selectivity": 1.83, "admet": 5.3, "novelty": 3.49, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 7.3, "LE": 0.416, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.454, "herg": 0.399, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.682000791438002, "aff_pf": -1.2960078318913777, "aff_hs": -1.0570441087086995, "repeats_pf": {"runs": 3, "values": [-1.2877, -1.3255, -1.2748], "mean": -1.296, "spread": 0.0507}, "repeats_hs": {"runs": 3, "values": [-0.9914, -1.079, -1.1008], "mean": -1.057, "spread": 0.1095}, "at": 1787737251}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736080, "scored_at": 1787737251, "alerts": [], "rank": 2300}, {"candidate_id": "ODC-275D66", "res_at": 1787737489, "skeleton": "IKLFGEFPNXITAW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········)cc1C", "total": 47.286, "axes": {"activity": 17.85, "binding": 13.99, "selectivity": 4.4, "admet": 4.48, "novelty": 3.56, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.671, "fraction": 0.595}, "binding": {"pIC50": 7.1, "LE": 0.405, "potency_term": 0.7, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.315, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.56, "herg": 0.577, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.671085664297083, "aff_pf": -1.0986073811848958, "aff_hs": -0.4689294894536336, "repeats_pf": {"runs": 3, "values": [-1.0984, -1.0644, -1.133], "mean": -1.0986, "spread": 0.0686}, "repeats_hs": {"runs": 3, "values": [-0.6766, -0.2892, -0.4409], "mean": -0.4689, "spread": 0.3874}, "at": 1787737489}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736088, "scored_at": 1787737489, "alerts": [], "rank": 2301}, {"candidate_id": "ODC-7F7F1F", "res_at": 1787871719, "skeleton": "NDXQBCLVMPHHQQ", "hf_user": "Bio-JS", "display_name": "가지: 바이닐", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CC1(c··········)CSC1", "total": 47.283, "axes": {"activity": 14.14, "binding": 13.17, "selectivity": 10.21, "admet": 2.73, "novelty": 4.5, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.448, "fraction": 0.471}, "binding": {"pIC50": 7.22, "LE": 0.267, "potency_term": 0.739, "efficiency_cap": 0.891}, "selectivity": {"fold": 24.1, "selectivity_term": 0.691, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.381, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.477, "herg": 0.05, "dili": 0.157}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.448103071292693, "aff_pf": -1.2174248695373535, "aff_hs": 0.16417662302652994, "repeats_pf": {"runs": 3, "values": [-1.2896, -1.0747, -1.288], "mean": -1.2174, "spread": 0.2149}, "repeats_hs": {"runs": 3, "values": [0.3243, 0.1894, -0.0211], "mean": 0.1642, "spread": 0.3454}, "at": 1787848612}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795860, "scored_at": 1787848612, "alerts": [], "rank": 2302}, {"candidate_id": "ODC-6AC56A", "res_at": 1788148855, "skeleton": "VONIVFFGHRLNNX", "hf_user": "Bio-JS", "display_name": "M1 C2 곁사슬 S-CH2CHF2 (사다리 연장)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.281, "axes": {"activity": 17.48, "binding": 13.71, "selectivity": 5.07, "admet": 4.4, "novelty": 3.54, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.649, "fraction": 0.583}, "binding": {"pIC50": 7.06, "LE": 0.403, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.379, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.6490848590968055, "aff_pf": -1.0557872653007507, "aff_hs": -0.3163105050722758, "repeats_pf": {"runs": 3, "values": [-0.9697, -0.9219, -1.2757], "mean": -1.0558, "spread": 0.3538}, "repeats_hs": {"runs": 3, "values": [-0.267, -0.3656, -0.3164], "mean": -0.3163, "spread": 0.0986}, "at": 1788148855}, "tier": 1, "alerts": [], "total_sd": 1.903, "total_ci95": [44.588, 52.012], "relegate_reason": [], "submitted_at": 1788139371, "scored_at": 1788148855, "rank": 2303}, {"candidate_id": "ODC-04448E", "res_at": 1788608770, "skeleton": "ZONOUDVGJZIFON", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 47.275, "axes": {"activity": 14.43, "binding": 13.34, "selectivity": 7.81, "admet": 5.46, "novelty": 3.6, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.466, "fraction": 0.481}, "binding": {"pIC50": 7.0, "LE": 0.369, "potency_term": 0.667, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.891, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.551, "herg": 0.312, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.465515384581343, "aff_pf": -1.0010059277216594, "aff_hs": 0.16991889476776123, "repeats_pf": {"runs": 3, "values": [-1.0275, -0.9953, -0.9802], "mean": -1.001, "spread": 0.0474}, "repeats_hs": {"runs": 3, "values": [0.1466, 0.3027, 0.0604], "mean": 0.1699, "spread": 0.2423}, "at": 1788608770}, "tier": 1, "alerts": [], "total_sd": 0.487, "total_ci95": [46.43, 48.241], "relegate_reason": [], "submitted_at": 1788583586, "scored_at": 1788608770, "rank": 2304}, {"candidate_id": "ODC-AD8E36", "res_at": 1786794544, "skeleton": "YPGMBIFWEGGGJR", "hf_user": "DOATC", "display_name": "SOL_LIMITBREAK_POS02", "model_name": "gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.273, "axes": {"activity": 13.87, "binding": 13.94, "selectivity": 8.39, "admet": 5.2, "novelty": 2.71, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.432, "fraction": 0.462}, "binding": {"pIC50": 7.09, "LE": 0.422, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.471, "cyp3a4-substrate-carbonmangels": 0.445, "ld50-zhu": 0.299, "herg": 0.523, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.432177991541143, "aff_pf": -1.0906266768773396, "aff_hs": 0.11392114808162053, "repeats_pf": {"runs": 3, "values": [-1.0312, -1.2127, -1.0279], "mean": -1.0906, "spread": 0.1848}, "repeats_hs": {"runs": 3, "values": [0.1114, 0.1613, 0.069], "mean": 0.1139, "spread": 0.0923}, "at": 1786794544}, "tier": 1, "relegate_reason": [], "submitted_at": 1786783706, "scored_at": 1786794544, "alerts": [], "rank": 2305}, {"candidate_id": "ODC-35631E", "res_at": 1789300615, "skeleton": "LQYOWKWYTHHZMX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.259, "axes": {"activity": 14.36, "binding": 14.63, "selectivity": 7.56, "admet": 3.57, "novelty": 4.32, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 7.19, "LE": 0.365, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.176, "ld50-zhu": 0.817, "herg": 0.139, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.46160207183741, "aff_pf": -1.1937685410181682, "aff_hs": -0.15953655540943146, "repeats_pf": {"runs": 3, "values": [-1.162, -1.2261, -1.1932], "mean": -1.1938, "spread": 0.064}, "repeats_hs": {"runs": 3, "values": [-0.1488, -0.2075, -0.1224], "mean": -0.1595, "spread": 0.0851}, "at": 1789300615}, "tier": 1, "alerts": [], "total_sd": 0.37, "total_ci95": [46.579, 48.064], "relegate_reason": [], "submitted_at": 1789297736, "scored_at": 1789300615, "rank": 2306}, {"candidate_id": "ODC-FB489E", "res_at": 1786775837, "skeleton": "QNQIQTMDAGAAEH", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 47.25, "axes": {"activity": 10.71, "binding": 15.39, "selectivity": 9.93, "admet": 6.3, "novelty": 1.66, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.243, "fraction": 0.357}, "binding": {"pIC50": 7.31, "LE": 0.401, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.5, "selectivity_term": 0.645, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.674, "cyp3a4-substrate-carbonmangels": 0.752, "ld50-zhu": 0.493, "herg": 0.426, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.784, "novelty": 0.216}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.242691287393277, "aff_pf": -1.3091601133346558, "aff_hs": -0.01954832673072815, "at": 1786775837}, "tier": 1, "relegate_reason": [], "submitted_at": 1786775686, "scored_at": 1786775837, "alerts": [], "rank": 2307}, {"candidate_id": "ODC-1589C7", "res_at": 1786898830, "skeleton": "QPJLCQJUESVBGW", "hf_user": "PhD-Shin", "display_name": "PhD-Shin S1-D", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.246, "axes": {"activity": 8.35, "binding": 15.36, "selectivity": 11.52, "admet": 5.4, "novelty": 3.41, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 7.3, "LE": 0.4, "potency_term": 0.768, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.6, "selectivity_term": 0.75, "target_engagement": 0.768}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.385, "ld50-zhu": 0.661, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.1009249962736725, "aff_pf": -1.3046332597732544, "aff_hs": 0.19508573412895203, "repeats_pf": {"runs": 3, "values": [-1.3027, -1.3022, -1.3091], "mean": -1.3046, "spread": 0.0069}, "repeats_hs": {"runs": 3, "values": [0.1849, 0.1749, 0.2255], "mean": 0.1951, "spread": 0.0505}, "at": 1786898830}, "tier": 1, "relegate_reason": [], "submitted_at": 1786885152, "scored_at": 1786898830, "alerts": [], "rank": 2308}, {"candidate_id": "ODC-D48C6D", "res_at": 1787745045, "skeleton": "KUGWUWBXMNJNPJ", "hf_user": "Ku-ku", "display_name": "KK-M-0826-B2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 47.243, "axes": {"activity": 17.51, "binding": 12.99, "selectivity": 4.05, "admet": 5.94, "novelty": 4.33, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.651, "fraction": 0.584}, "binding": {"pIC50": 6.95, "LE": 0.381, "potency_term": 0.649, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.61, "per_endpoint": {"solubility-aqsoldb": 0.726, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.675, "cyp3a4-substrate-carbonmangels": 0.382, "ld50-zhu": 0.593, "herg": 0.05, "dili": 0.728}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.650838980030487, "aff_pf": -0.9477771321932474, "aff_hs": -0.32344216605027515, "repeats_pf": {"runs": 3, "values": [-0.9821, -0.9898, -0.8714], "mean": -0.9478, "spread": 0.1184}, "repeats_hs": {"runs": 3, "values": [-0.387, -0.3794, -0.2039], "mean": -0.3234, "spread": 0.1831}, "at": 1787745045}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787744680, "scored_at": 1787745045, "rank": 2309}, {"candidate_id": "ODC-3904C1", "res_at": 1789912234, "skeleton": "UYEWSHABUCLNBV", "hf_user": "Bio-JS", "display_name": "0918-S1-div28", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.24, "axes": {"activity": 16.24, "binding": 11.9, "selectivity": 9.02, "admet": 4.5, "novelty": 2.97, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.574, "fraction": 0.541}, "binding": {"pIC50": 6.78, "LE": 0.423, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.8, "selectivity_term": 0.758, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.524, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.574131080320653, "aff_pf": -0.7847931385040283, "aff_hs": 0.7305330634117126, "repeats_pf": {"runs": 3, "values": [-0.7738, -0.742, -0.8386], "mean": -0.7848, "spread": 0.0966}, "repeats_hs": {"runs": 3, "values": [0.6219, 0.7849, 0.7847], "mean": 0.7305, "spread": 0.163}, "at": 1789912234}, "tier": 1, "alerts": [], "total_sd": 0.578, "total_ci95": [46.175, 48.504], "relegate_reason": [], "submitted_at": 1789687085, "scored_at": 1789912234, "rank": 2310}, {"candidate_id": "ODC-42B92C", "res_at": 1787588472, "skeleton": "MGDPULWIWSSTSW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 47.223, "axes": {"activity": 15.25, "binding": 13.72, "selectivity": 10.3, "admet": 4.16, "novelty": 1.3, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.515, "fraction": 0.508}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.7, "selectivity_term": 0.75, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.482, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.282}}, "novelty": {"max_tanimoto": 0.81, "novelty": 0.19}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.515200950498666, "aff_pf": -1.0579448143641155, "aff_hs": 0.4428972403208415, "repeats_pf": {"runs": 3, "values": [-1.0549, -1.1183, -1.0006], "mean": -1.0579, "spread": 0.1177}, "repeats_hs": {"runs": 3, "values": [0.5135, 0.485, 0.3302], "mean": 0.4429, "spread": 0.1833}, "at": 1787588472}, "tier": 1, "relegate_reason": [], "submitted_at": 1787584337, "scored_at": 1787588472, "alerts": [], "rank": 2311}, {"candidate_id": "ODC-1422AD", "res_at": 1786840780, "skeleton": "OCYXOZYCXGXHNF", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.22, "axes": {"activity": 10.51, "binding": 14.76, "selectivity": 8.26, "admet": 5.58, "novelty": 4.52, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.35}, "binding": {"pIC50": 7.21, "LE": 0.471, "potency_term": 0.738, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.559, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.472, "cyp3a4-substrate-carbonmangels": 0.275, "ld50-zhu": 0.322, "herg": 0.484, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "1", "pAct_q10": 5.2306057162311275, "aff_pf": -1.2144615252812703, "aff_hs": -0.09612735733389854, "repeats_pf": {"runs": 3, "values": [-1.2246, -1.178, -1.2408], "mean": -1.2145, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [-0.2679, 0.046, -0.0665], "mean": -0.0961, "spread": 0.3139}, "at": 1786840780}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805785, "scored_at": 1786840780, "alerts": [], "rank": 2312}, {"candidate_id": "ODC-B9A5D5", "res_at": 1788147354, "skeleton": "KOSGDNWMQKCQJJ", "hf_user": "Bio-JS", "display_name": "P2 아닐린 파라 4-퍼플루오로에틸", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.207, "axes": {"activity": 18.97, "binding": 13.79, "selectivity": 4.6, "admet": 3.47, "novelty": 3.5, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.738, "fraction": 0.632}, "binding": {"pIC50": 7.07, "LE": 0.334, "potency_term": 0.689, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.738244993991284, "aff_pf": -1.0681294997533162, "aff_hs": -0.40040260553359985, "repeats_pf": {"runs": 3, "values": [-1.0999, -1.0406, -1.0639], "mean": -1.0681, "spread": 0.0593}, "repeats_hs": {"runs": 3, "values": [-0.5636, -0.0498, -0.5878], "mean": -0.4004, "spread": 0.538}, "at": 1788147354}, "tier": 1, "alerts": [], "total_sd": 1.048, "total_ci95": [45.578, 49.793], "relegate_reason": [], "submitted_at": 1788139340, "scored_at": 1788147354, "rank": 2313}, {"candidate_id": "ODC-C995EA", "res_at": 1787619941, "skeleton": "SNLOBHHMLVZBSN", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 1,4-다이메틸-2-옥소피롤리딘-4-일 (N-Me 감마락탐)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 47.157, "axes": {"activity": 19.18, "binding": 9.15, "selectivity": 9.38, "admet": 2.87, "novelty": 4.42, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.751, "fraction": 0.639}, "binding": {"pIC50": 6.74, "LE": 0.237, "potency_term": 0.58, "efficiency_cap": 0.789}, "selectivity": {"fold": 41.4, "selectivity_term": 0.809, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.411, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.416, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 5.750671867057769, "aff_pf": -0.7397743463516235, "aff_hs": 0.8775354226430258, "repeats_pf": {"runs": 3, "values": [-0.8542, -0.6355, -0.7297], "mean": -0.7398, "spread": 0.2187}, "repeats_hs": {"runs": 3, "values": [0.7937, 0.8705, 0.9684], "mean": 0.8775, "spread": 0.1747}, "at": 1787619941}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618653, "scored_at": 1787619941, "alerts": [], "rank": 2314}, {"candidate_id": "ODC-EEFC6B", "res_at": 1788146561, "skeleton": "GTFSCSRGLWESDI", "hf_user": "Bio-JS", "display_name": "P1 아닐린 파라 4-Br->tert-부틸", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.151, "axes": {"activity": 20.53, "binding": 13.88, "selectivity": 2.51, "admet": 3.63, "novelty": 3.47, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.832, "fraction": 0.684}, "binding": {"pIC50": 7.08, "LE": 0.373, "potency_term": 0.694, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.181, "target_engagement": 0.694}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.424, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.831919548235863, "aff_pf": -1.0813106695810955, "aff_hs": -0.7197332382202148, "repeats_pf": {"runs": 3, "values": [-1.0733, -1.0676, -1.103], "mean": -1.0813, "spread": 0.0354}, "repeats_hs": {"runs": 3, "values": [-0.5067, -0.8523, -0.8002], "mean": -0.7197, "spread": 0.3456}, "at": 1788146561}, "tier": 1, "alerts": [], "total_sd": 0.668, "total_ci95": [46.16, 48.59], "relegate_reason": [], "submitted_at": 1788139332, "scored_at": 1788146561, "rank": 2315}, {"candidate_id": "ODC-DF5E6C", "res_at": 1786948304, "skeleton": "DYIAZGDBWJIVRQ", "hf_user": "ipsych", "display_name": "TPH-CN5-SMe-aza-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.148, "axes": {"activity": 11.87, "binding": 14.04, "selectivity": 8.86, "admet": 5.5, "novelty": 4.17, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 7.11, "LE": 0.389, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.3, "selectivity_term": 0.631, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.354, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.835, "herg": 0.293, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.312442673966737, "aff_pf": -1.1065545082092285, "aff_hs": 0.15517945090929666, "repeats_pf": {"runs": 3, "values": [-1.0714, -1.1298, -1.1185], "mean": -1.1066, "spread": 0.0584}, "repeats_hs": {"runs": 3, "values": [0.1275, 0.1144, 0.2237], "mean": 0.1552, "spread": 0.1093}, "at": 1786948304}, "tier": 1, "relegate_reason": [], "submitted_at": 1786936763, "scored_at": 1786948304, "alerts": [], "rank": 2316}, {"candidate_id": "ODC-2D0ED6", "res_at": 1789050683, "skeleton": "MDLUILCGLDWERI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.147, "axes": {"activity": 13.97, "binding": 14.88, "selectivity": 6.13, "admet": 5.36, "novelty": 3.78, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.438, "fraction": 0.466}, "binding": {"pIC50": 7.23, "LE": 0.396, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.412, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.69, "cyp3a4-substrate-carbonmangels": 0.24, "ld50-zhu": 0.623, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.43798293914255, "aff_pf": -1.2318209807078044, "aff_hs": -0.40827131271362305, "repeats_pf": {"runs": 3, "values": [-1.3114, -1.2048, -1.1793], "mean": -1.2318, "spread": 0.132}, "repeats_hs": {"runs": 3, "values": [-0.4403, -0.4669, -0.3176], "mean": -0.4083, "spread": 0.1493}, "at": 1789050683}, "tier": 1, "alerts": [], "total_sd": 0.717, "total_ci95": [45.93, 48.629], "relegate_reason": [], "submitted_at": 1789040828, "scored_at": 1789050683, "rank": 2317}, {"candidate_id": "ODC-C231E6", "res_at": 1788621354, "skeleton": "BUBGGHUOFIWDDA", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-25C]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········)cc1F", "total": 47.144, "axes": {"activity": 17.7, "binding": 12.83, "selectivity": 6.5, "admet": 3.62, "novelty": 3.74, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.662, "fraction": 0.59}, "binding": {"pIC50": 6.92, "LE": 0.365, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.266, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.66177457731519, "aff_pf": -0.9244575103123983, "aff_hs": 0.08910700182120006, "repeats_pf": {"runs": 3, "values": [-0.9964, -0.8404, -0.9366], "mean": -0.9245, "spread": 0.156}, "repeats_hs": {"runs": 3, "values": [0.4066, -0.2843, 0.145], "mean": 0.0891, "spread": 0.691}, "at": 1788621354}, "tier": 1, "alerts": [], "total_sd": 1.37, "total_ci95": [44.096, 49.8], "relegate_reason": [], "submitted_at": 1788617357, "scored_at": 1788621354, "rank": 2318}, {"candidate_id": "ODC-327C82", "res_at": 1789998608, "skeleton": "ASMIMYXVZVZUDK", "hf_user": "Bio-JS", "display_name": "0921-S1-30", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········cc1Cl", "total": 47.113, "axes": {"activity": 10.71, "binding": 15.16, "selectivity": 8.06, "admet": 6.29, "novelty": 3.46, "synthesis": 3.43}, "detail": {"activity": {"pAct_q10": 5.242, "fraction": 0.357}, "binding": {"pIC50": 7.27, "LE": 0.415, "potency_term": 0.758, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.532, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.522, "cyp3a4-substrate-carbonmangels": 0.555, "ld50-zhu": 0.443, "herg": 0.77, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.242448742133904, "aff_pf": -1.2744910717010498, "aff_hs": -0.21136978268623352, "repeats_pf": {"runs": 3, "values": [-1.1826, -1.3439, -1.297], "mean": -1.2745, "spread": 0.1612}, "repeats_hs": {"runs": 3, "values": [-0.2176, -0.21, -0.2065], "mean": -0.2114, "spread": 0.0112}, "at": 1789998608}, "tier": 1, "alerts": [], "total_sd": 0.914, "total_ci95": [44.982, 48.766], "relegate_reason": [], "submitted_at": 1789990643, "scored_at": 1789998608, "rank": 2319}, {"candidate_id": "ODC-B373E4", "res_at": 1786957802, "skeleton": "OUDLJBPOGTZDHU", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.11, "axes": {"activity": 15.82, "binding": 13.94, "selectivity": 5.83, "admet": 4.19, "novelty": 4.18, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.549, "fraction": 0.527}, "binding": {"pIC50": 7.09, "LE": 0.374, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.418, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.494, "ld50-zhu": 0.599, "herg": 0.087, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.549331404757749, "aff_pf": -1.0902971029281616, "aff_hs": -0.2541424085696538, "repeats_pf": {"runs": 3, "values": [-1.1004, -1.1081, -1.0624], "mean": -1.0903, "spread": 0.0458}, "repeats_hs": {"runs": 3, "values": [-0.102, -0.5437, -0.1168], "mean": -0.2541, "spread": 0.4417}, "at": 1786957802}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957350, "scored_at": 1786957802, "alerts": [], "rank": 2320}, {"candidate_id": "ODC-DCFB88", "res_at": 1788615063, "skeleton": "NETFBZPJSBMVCN", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 47.093, "axes": {"activity": 9.53, "binding": 16.86, "selectivity": 7.48, "admet": 5.13, "novelty": 4.59, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 7.53, "LE": 0.382, "potency_term": 0.843, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.552, "ld50-zhu": 0.553, "herg": 0.199, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.171823768113443, "aff_pf": -1.5291431744893391, "aff_hs": -0.6416480938593546, "repeats_pf": {"runs": 3, "values": [-1.5396, -1.5083, -1.5396], "mean": -1.5291, "spread": 0.0313}, "repeats_hs": {"runs": 3, "values": [-0.7165, -0.5518, -0.6567], "mean": -0.6416, "spread": 0.1647}, "at": 1788615063}, "tier": 1, "alerts": [], "total_sd": 0.367, "total_ci95": [46.39, 47.802], "relegate_reason": [], "submitted_at": 1788583769, "scored_at": 1788615063, "rank": 2321}, {"candidate_id": "ODC-CEB956", "res_at": 1786864605, "skeleton": "SBCQHOPFBCAZOC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.087, "axes": {"activity": 11.32, "binding": 16.27, "selectivity": 7.67, "admet": 5.65, "novelty": 2.81, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 7.44, "LE": 0.392, "potency_term": 0.813, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.472, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.488, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.503, "herg": 0.195, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.27921056473952, "aff_pf": -1.4397541284561157, "aff_hs": -0.4965781569480896, "repeats_pf": {"runs": 3, "values": [-1.4158, -1.486, -1.4174], "mean": -1.4398, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [-0.4692, -0.5318, -0.4888], "mean": -0.4966, "spread": 0.0627}, "at": 1786864605}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855394, "scored_at": 1786864605, "alerts": [], "rank": 2322}, {"candidate_id": "ODC-CADAD9", "res_at": 1786902832, "skeleton": "YHCOHWBVBYYGRT", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.086, "axes": {"activity": 13.56, "binding": 14.55, "selectivity": 8.85, "admet": 4.61, "novelty": 2.38, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.413, "fraction": 0.452}, "binding": {"pIC50": 7.18, "LE": 0.378, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.4, "selectivity_term": 0.608, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.493, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.373, "herg": 0.16, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.672, "novelty": 0.328}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.413436497530228, "aff_pf": -1.1825104554494221, "aff_hs": 0.03345195452372233, "repeats_pf": {"runs": 3, "values": [-1.1434, -1.2367, -1.1675], "mean": -1.1825, "spread": 0.0933}, "repeats_hs": {"runs": 3, "values": [0.1435, 0.0523, -0.0954], "mean": 0.0335, "spread": 0.2389}, "at": 1786902832}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890256, "scored_at": 1786902832, "alerts": [], "rank": 2323}, {"candidate_id": "ODC-FE0605", "res_at": 1786971543, "skeleton": "ZMNGAXJGODKRLF", "hf_user": "ghost613", "display_name": "MAL-12 3-F-4-SF5-aniline triazolopyrimidine", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.08, "axes": {"activity": 13.94, "binding": 15.62, "selectivity": 6.72, "admet": 5.92, "novelty": 2.1, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 7.34, "LE": 0.359, "potency_term": 0.781, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.43, "target_engagement": 0.781}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.461, "cyp3a4-substrate-carbonmangels": 0.734, "ld50-zhu": 0.701, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.731, "novelty": 0.269}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.436637181339195, "aff_pf": -1.3423187335332234, "aff_hs": -0.48192542791366577, "repeats_pf": {"runs": 3, "values": [-1.3763, -1.3015, -1.3492], "mean": -1.3423, "spread": 0.0748}, "repeats_hs": {"runs": 3, "values": [-0.4179, -0.4743, -0.5535], "mean": -0.4819, "spread": 0.1356}, "at": 1786971543}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971213, "scored_at": 1786971543, "alerts": [], "rank": 2324}, {"candidate_id": "ODC-046A35", "res_at": 1786841336, "skeleton": "PHPXBFMLYCJALY", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.076, "axes": {"activity": 13.43, "binding": 14.57, "selectivity": 9.06, "admet": 6.07, "novelty": 1.11, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.406, "fraction": 0.448}, "binding": {"pIC50": 7.19, "LE": 0.365, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.5, "selectivity_term": 0.622, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.811, "herg": 0.16, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.848, "novelty": 0.152}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.405728259849248, "aff_pf": -1.1851042906443279, "aff_hs": 0.05827820301055908, "repeats_pf": {"runs": 3, "values": [-1.2443, -1.0397, -1.2713], "mean": -1.1851, "spread": 0.2315}, "repeats_hs": {"runs": 3, "values": [0.1259, 0.0044, 0.0445], "mean": 0.0583, "spread": 0.1215}, "at": 1786841336}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805801, "scored_at": 1786841336, "alerts": [], "rank": 2325}, {"candidate_id": "ODC-C9DAF5", "res_at": 1788820798, "skeleton": "OEWOVVKPEARGAZ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SNIPER04]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 47.074, "axes": {"activity": 18.19, "binding": 11.45, "selectivity": 8.71, "admet": 2.13, "novelty": 3.86, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.691, "fraction": 0.606}, "binding": {"pIC50": 6.82, "LE": 0.283, "potency_term": 0.606, "efficiency_cap": 0.944}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.6914203802324215, "aff_pf": -0.8192539016405741, "aff_hs": 0.6168945829073588, "repeats_pf": {"runs": 3, "values": [-1.1717, -0.5208, -0.7653], "mean": -0.8193, "spread": 0.6509}, "repeats_hs": {"runs": 3, "values": [0.6878, 0.658, 0.5049], "mean": 0.6169, "spread": 0.1829}, "at": 1788820798}, "tier": 1, "alerts": [], "total_sd": 3.232, "total_ci95": [41.786, 55.85], "relegate_reason": [], "submitted_at": 1788786137, "scored_at": 1788820798, "rank": 2326}, {"candidate_id": "ODC-B65C4A", "res_at": 1789105954, "skeleton": "KQWARNLTXRCVOM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 47.074, "axes": {"activity": 14.46, "binding": 15.55, "selectivity": 5.03, "admet": 5.26, "novelty": 3.5, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.33, "LE": 0.402, "potency_term": 0.778, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.778}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.414, "herg": 0.468, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.46746751388302, "aff_pf": -1.3326786359151204, "aff_hs": -0.6853619813919067, "repeats_pf": {"runs": 3, "values": [-1.2583, -1.532, -1.2077], "mean": -1.3327, "spread": 0.3243}, "repeats_hs": {"runs": 3, "values": [-0.843, -0.8246, -0.3885], "mean": -0.6854, "spread": 0.4545}, "at": 1789105954}, "tier": 1, "alerts": [], "total_sd": 1.977, "total_ci95": [44.334, 51.595], "relegate_reason": [], "submitted_at": 1789093566, "scored_at": 1789105954, "rank": 2327}, {"candidate_id": "ODC-88118A", "res_at": 1788572943, "skeleton": "RRJVWHMVQUKBKW", "hf_user": "Bio-JS", "display_name": "0905-S1-06 MeCF2/CN/Me/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 47.071, "axes": {"activity": 13.84, "binding": 12.18, "selectivity": 12.06, "admet": 4.17, "novelty": 2.18, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 6.83, "LE": 0.39, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 95.6, "selectivity_term": 0.99, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.526, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.358, "herg": 0.691, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.643, "novelty": 0.357}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.430159409906968, "aff_pf": -0.8273754318555196, "aff_hs": 1.1532654762268066, "repeats_pf": {"runs": 3, "values": [-0.773, -0.8301, -0.879], "mean": -0.8274, "spread": 0.106}, "repeats_hs": {"runs": 3, "values": [1.1498, 1.1845, 1.1255], "mean": 1.1533, "spread": 0.0589}, "at": 1788572943}, "tier": 1, "alerts": [], "total_sd": 0.564, "total_ci95": [45.877, 48.131], "relegate_reason": [], "submitted_at": 1788559935, "scored_at": 1788572943, "rank": 2328}, {"candidate_id": "ODC-80EA5F", "res_at": 1789268320, "skeleton": "FHOMJSYCSLYBIS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 47.065, "axes": {"activity": 16.77, "binding": 12.67, "selectivity": 6.63, "admet": 4.84, "novelty": 3.4, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.606, "fraction": 0.559}, "binding": {"pIC50": 6.9, "LE": 0.364, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.523, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.587, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.468, "herg": 0.559, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.606242681155656, "aff_pf": -0.9005555311838785, "aff_hs": 0.14524492621421814, "repeats_pf": {"runs": 3, "values": [-0.8025, -1.0305, -0.8687], "mean": -0.9006, "spread": 0.228}, "repeats_hs": {"runs": 3, "values": [-0.0473, 0.0161, 0.4668], "mean": 0.1452, "spread": 0.5141}, "at": 1789268320}, "tier": 1, "alerts": [], "total_sd": 1.591, "total_ci95": [44.01, 50.371], "relegate_reason": [], "submitted_at": 1789263709, "scored_at": 1789268320, "rank": 2329}, {"candidate_id": "ODC-FA539E", "res_at": 1789891794, "skeleton": "KLSVMRHINAJXTK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 47.062, "axes": {"activity": 18.65, "binding": 14.41, "selectivity": 3.57, "admet": 3.5, "novelty": 3.95, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.719, "fraction": 0.622}, "binding": {"pIC50": 7.16, "LE": 0.338, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.248, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.916, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.581, "ld50-zhu": 0.747, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.718726095793257, "aff_pf": -1.1617495616277058, "aff_hs": -0.6661609808603922, "repeats_pf": {"runs": 3, "values": [-1.1378, -1.1743, -1.1731], "mean": -1.1617, "spread": 0.0365}, "repeats_hs": {"runs": 3, "values": [-0.7946, -0.8572, -0.3467], "mean": -0.6662, "spread": 0.5105}, "at": 1789891794}, "tier": 1, "alerts": [], "total_sd": 0.897, "total_ci95": [45.603, 48.534], "relegate_reason": [], "submitted_at": 1789657804, "scored_at": 1789891794, "rank": 2330}, {"candidate_id": "ODC-B871FD", "res_at": 1786853283, "skeleton": "WEWINEHMUIKLND", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 47.059, "axes": {"activity": 14.36, "binding": 13.57, "selectivity": 8.78, "admet": 4.35, "novelty": 3.0, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.461, "fraction": 0.479}, "binding": {"pIC50": 7.04, "LE": 0.402, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.647, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.31, "ld50-zhu": 0.247, "herg": 0.519, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.461452426585864, "aff_pf": -1.0358928243319194, "aff_hs": 0.2585551093022029, "repeats_pf": {"runs": 3, "values": [-1.0879, -1.0445, -0.9753], "mean": -1.0359, "spread": 0.1126}, "repeats_hs": {"runs": 3, "values": [0.2772, 0.2816, 0.2169], "mean": 0.2586, "spread": 0.0647}, "at": 1786853283}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847549, "scored_at": 1786853283, "alerts": [], "rank": 2331}, {"candidate_id": "ODC-1F7680", "res_at": 1787157359, "skeleton": "AVXMKWNUVSBCOS", "hf_user": "takutoyo", "display_name": "PfD8-B10", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········c1C#N", "total": 47.032, "axes": {"activity": 21.36, "binding": 10.01, "selectivity": 3.01, "admet": 4.59, "novelty": 4.98, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.882, "fraction": 0.712}, "binding": {"pIC50": 6.5, "LE": 0.356, "potency_term": 0.501, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.501}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.291, "ld50-zhu": 0.452, "herg": 0.524, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.881726178394903, "aff_pf": -0.5017498632272085, "aff_hs": 0.10018258976439635, "repeats_pf": {"runs": 3, "values": [-0.4674, -0.4898, -0.548], "mean": -0.5017, "spread": 0.0805}, "repeats_hs": {"runs": 3, "values": [0.3215, 0.0205, -0.0415], "mean": 0.1002, "spread": 0.3629}, "at": 1787157359}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148184, "scored_at": 1787157359, "alerts": [], "rank": 2332}, {"candidate_id": "ODC-64C8C9", "res_at": 1788533057, "skeleton": "JURNVHLCQUXVEO", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 47.029, "axes": {"activity": 10.18, "binding": 14.67, "selectivity": 10.89, "admet": 5.57, "novelty": 2.96, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.211, "fraction": 0.339}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.6, "selectivity_term": 0.743, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.229, "ld50-zhu": 0.439, "herg": 0.4, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.210800433673406, "aff_pf": -1.1998623609542847, "aff_hs": 0.2857415974140167, "repeats_pf": {"runs": 3, "values": [-1.1495, -1.2619, -1.1881], "mean": -1.1999, "spread": 0.1124}, "repeats_hs": {"runs": 3, "values": [0.2634, 0.2177, 0.3761], "mean": 0.2857, "spread": 0.1584}, "at": 1788533057}, "tier": 1, "alerts": [], "total_sd": 0.703, "total_ci95": [45.825, 48.536], "relegate_reason": [], "submitted_at": 1788489458, "scored_at": 1788533057, "rank": 2333}, {"candidate_id": "ODC-11871A", "res_at": 1786788732, "skeleton": "CVJCKQRFHIINSZ", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 47.013, "axes": {"activity": 16.21, "binding": 13.53, "selectivity": 8.46, "admet": 4.04, "novelty": 2.03, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.573, "fraction": 0.54}, "binding": {"pIC50": 7.03, "LE": 0.401, "potency_term": 0.676, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.626, "target_engagement": 0.676}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.104, "cyp2c9-veith": 0.328, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.445, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.572814618140186, "aff_pf": -1.0292075077692668, "aff_hs": 0.2221537580092748, "repeats_pf": {"runs": 3, "values": [-1.0222, -1.0547, -1.0107], "mean": -1.0292, "spread": 0.044}, "repeats_hs": {"runs": 3, "values": [0.0407, 0.3799, 0.2459], "mean": 0.2222, "spread": 0.3392}, "at": 1786788732}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781206, "scored_at": 1786788732, "alerts": [], "rank": 2334}, {"candidate_id": "ODC-994830", "res_at": 1786756474, "skeleton": "RIOPTIZLYYUGNM", "hf_user": "Sunghokim", "display_name": "sunghokim", "model_name": "GEMINI 3.5 FLASH", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 47.0, "axes": {"activity": 12.72, "binding": 14.41, "selectivity": 9.3, "admet": 5.35, "novelty": 1.65, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.363, "fraction": 0.424}, "binding": {"pIC50": 7.16, "LE": 0.446, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.6, "selectivity_term": 0.646, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.307, "herg": 0.781, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.771, "novelty": 0.229}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.363001054896743, "aff_pf": -1.161543369293213, "aff_hs": 0.12977385520935059, "at": 1786756474}, "tier": 1, "relegate_reason": [], "submitted_at": 1786756271, "scored_at": 1786756474, "alerts": [], "rank": 2335}, {"candidate_id": "ODC-1CBE5F", "res_at": 1786926222, "skeleton": "QTFCPBDOUGCJPV", "hf_user": "choa712", "display_name": "LUCY-G02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 46.988, "axes": {"activity": 19.85, "binding": 11.56, "selectivity": 4.29, "admet": 4.41, "novelty": 4.32, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.791, "fraction": 0.662}, "binding": {"pIC50": 6.73, "LE": 0.33, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.69, "herg": 0.156, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "1", "pAct_q10": 5.790776376519528, "aff_pf": -0.7343368331591288, "aff_hs": 0.00834506501754125, "repeats_pf": {"runs": 3, "values": [-0.7457, -0.6675, -0.7898], "mean": -0.7343, "spread": 0.1223}, "repeats_hs": {"runs": 3, "values": [-0.1011, 0.0345, 0.0916], "mean": 0.0083, "spread": 0.1927}, "at": 1786926222}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923660, "scored_at": 1786926222, "alerts": [], "rank": 2336}, {"candidate_id": "ODC-1201A0", "res_at": 1787032243, "skeleton": "SVTKUAXNSVLKME", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 46.984, "axes": {"activity": 19.64, "binding": 10.39, "selectivity": 6.64, "admet": 4.04, "novelty": 3.65, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.779, "fraction": 0.655}, "binding": {"pIC50": 6.56, "LE": 0.374, "potency_term": 0.519, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.639, "target_engagement": 0.519}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.568, "ld50-zhu": 0.457, "herg": 0.56, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.778598167362008, "aff_pf": -0.5582154989242554, "aff_hs": 0.7206847071647644, "repeats_pf": {"runs": 3, "values": [-0.5966, -0.5198, -0.5583], "mean": -0.5582, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [0.6094, 0.8316, 0.7211], "mean": 0.7207, "spread": 0.2222}, "at": 1787032243}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030774, "scored_at": 1787032243, "alerts": [], "rank": 2337}, {"candidate_id": "ODC-601AB6", "res_at": 1788133690, "skeleton": "QEOSJZAKDFAOGJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 46.983, "axes": {"activity": 11.86, "binding": 16.35, "selectivity": 5.71, "admet": 5.2, "novelty": 4.35, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.311, "fraction": 0.395}, "binding": {"pIC50": 7.45, "LE": 0.393, "potency_term": 0.817, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.817}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.177, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.488, "herg": 0.133, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.311495917457679, "aff_pf": -1.4521412054697673, "aff_hs": -0.7529605428377787, "repeats_pf": {"runs": 3, "values": [-1.4587, -1.4257, -1.472], "mean": -1.4521, "spread": 0.0463}, "repeats_hs": {"runs": 3, "values": [-0.6576, -0.8028, -0.7984], "mean": -0.753, "spread": 0.1452}, "at": 1788133690}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [46.244, 47.864], "relegate_reason": [], "submitted_at": 1788132358, "scored_at": 1788133690, "rank": 2338}, {"candidate_id": "ODC-67B17C", "res_at": 1787566233, "skeleton": "QUPCNAHABDHATI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.981, "axes": {"activity": 19.87, "binding": 10.58, "selectivity": 6.69, "admet": 2.61, "novelty": 4.39, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.792, "fraction": 0.662}, "binding": {"pIC50": 6.87, "LE": 0.254, "potency_term": 0.624, "efficiency_cap": 0.848}, "selectivity": {"fold": 11.8, "selectivity_term": 0.536, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.43, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.792376228313404, "aff_pf": -0.8707005580266317, "aff_hs": 0.20197793344656625, "repeats_pf": {"runs": 3, "values": [-0.8022, -0.9189, -0.891], "mean": -0.8707, "spread": 0.1167}, "repeats_hs": {"runs": 3, "values": [0.1568, 0.1697, 0.2795], "mean": 0.202, "spread": 0.1228}, "at": 1787566233}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557243, "scored_at": 1787566233, "alerts": [], "rank": 2339}, {"candidate_id": "ODC-2AFE48", "res_at": 1787407758, "skeleton": "OBRRCSKPUKNAMH", "hf_user": "takutoyo", "display_name": "PfD13-06", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 46.977, "axes": {"activity": 24.37, "binding": 11.35, "selectivity": 0.02, "admet": 2.96, "novelty": 5.98, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 6.062, "fraction": 0.812}, "binding": {"pIC50": 6.98, "LE": 0.258, "potency_term": 0.659, "efficiency_cap": 0.861}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.23, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.878, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 4.03}}, "run": {"gpu": "3", "pAct_q10": 6.062383619944443, "aff_pf": -0.9774609605471293, "aff_hs": -0.9736851453781128, "repeats_pf": {"runs": 3, "values": [-1.1125, -0.952, -0.8679], "mean": -0.9775, "spread": 0.2447}, "repeats_hs": {"runs": 3, "values": [-1.0376, -1.0256, -0.8578], "mean": -0.9737, "spread": 0.1798}, "at": 1787407758}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406690, "scored_at": 1787407758, "alerts": [], "rank": 2340}, {"candidate_id": "ODC-885DAB", "res_at": 1786876175, "skeleton": "GYOOHTXHAKTXGS", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 46.971, "axes": {"activity": 9.55, "binding": 14.77, "selectivity": 8.95, "admet": 5.8, "novelty": 5.0, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.173, "fraction": 0.318}, "binding": {"pIC50": 7.21, "LE": 0.449, "potency_term": 0.738, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 0.525, "ld50-zhu": 0.318, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "2", "pAct_q10": 5.173064005928892, "aff_pf": -1.2149648666381836, "aff_hs": -0.002246598402659098, "repeats_pf": {"runs": 3, "values": [-1.24, -1.2279, -1.1771], "mean": -1.215, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [-0.0167, 0.0378, -0.0278], "mean": -0.0022, "spread": 0.0656}, "at": 1786876175}, "tier": 1, "relegate_reason": [], "submitted_at": 1786868009, "scored_at": 1786876175, "alerts": [], "rank": 2341}, {"candidate_id": "ODC-B5E057", "res_at": 1787247568, "skeleton": "AWLFCCUUQCWBBB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-PZPOL04]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 46.96, "axes": {"activity": 16.68, "binding": 15.42, "selectivity": 4.62, "admet": 4.7, "novelty": 2.88, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.601, "fraction": 0.556}, "binding": {"pIC50": 7.31, "LE": 0.345, "potency_term": 0.771, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.771}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.488, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.599, "herg": 0.05, "dili": 0.176}}, "novelty": {"max_tanimoto": 0.627, "novelty": 0.373}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.6005537154275515, "aff_pf": -1.3134082555770874, "aff_hs": -0.7140045166015625, "repeats_pf": {"runs": 3, "values": [-1.303, -1.2911, -1.3462], "mean": -1.3134, "spread": 0.0551}, "repeats_hs": {"runs": 3, "values": [-0.6797, -0.7471, -0.7152], "mean": -0.714, "spread": 0.0674}, "at": 1787247568}, "tier": 1, "relegate_reason": [], "submitted_at": 1787239445, "scored_at": 1787247568, "alerts": [], "rank": 2342}, {"candidate_id": "ODC-675BB4", "res_at": 1789918257, "skeleton": "NCZMFADDCDHOHX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.946, "axes": {"activity": 18.49, "binding": 13.93, "selectivity": 2.93, "admet": 4.95, "novelty": 3.82, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.709, "fraction": 0.616}, "binding": {"pIC50": 7.09, "LE": 0.388, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.382, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.539, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.709254100022855, "aff_pf": -1.0889628728230794, "aff_hs": -0.6675799091657003, "repeats_pf": {"runs": 3, "values": [-1.089, -1.1327, -1.0452], "mean": -1.089, "spread": 0.0874}, "repeats_hs": {"runs": 3, "values": [-0.6748, -0.6801, -0.6479], "mean": -0.6676, "spread": 0.0322}, "at": 1789918257}, "tier": 1, "alerts": [], "total_sd": 0.435, "total_ci95": [46.064, 47.777], "relegate_reason": [], "submitted_at": 1789758051, "scored_at": 1789918257, "rank": 2343}, {"candidate_id": "ODC-8FEF51", "res_at": 1788513357, "skeleton": "LFGVIURGJCOLHT", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SO2Me/Cl/p-MeCF2", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cc1", "total": 46.937, "axes": {"activity": 12.57, "binding": 12.53, "selectivity": 10.87, "admet": 5.39, "novelty": 2.81, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.354, "fraction": 0.419}, "binding": {"pIC50": 6.88, "LE": 0.377, "potency_term": 0.626, "efficiency_cap": 1.0}, "selectivity": {"fold": 54.3, "selectivity_term": 0.868, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.517, "ld50-zhu": 0.471, "herg": 0.68, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.354184097818498, "aff_pf": -0.8791924913724264, "aff_hs": 0.8558748960494995, "repeats_pf": {"runs": 3, "values": [-0.8618, -0.9588, -0.817], "mean": -0.8792, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [0.8957, 0.8266, 0.8454], "mean": 0.8559, "spread": 0.0691}, "at": 1788513357}, "tier": 1, "alerts": [], "total_sd": 0.853, "total_ci95": [45.461, 48.954], "relegate_reason": [], "submitted_at": 1788487501, "scored_at": 1788513357, "rank": 2344}, {"candidate_id": "ODC-8BBF03", "res_at": 1789372038, "skeleton": "PRGSVNIGFVZDMC", "hf_user": "Ku-ku", "display_name": "KK-M-0914-195", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 46.927, "axes": {"activity": 20.35, "binding": 11.78, "selectivity": 4.12, "admet": 3.9, "novelty": 3.92, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.821, "fraction": 0.678}, "binding": {"pIC50": 6.77, "LE": 0.331, "potency_term": 0.589, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.349, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.685, "ld50-zhu": 0.592, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.821276659324442, "aff_pf": -0.7676592270533243, "aff_hs": -0.06896502772967021, "repeats_pf": {"runs": 3, "values": [-0.7452, -0.7785, -0.7792], "mean": -0.7677, "spread": 0.034}, "repeats_hs": {"runs": 3, "values": [-0.2392, -0.1672, 0.1996], "mean": -0.069, "spread": 0.4388}, "at": 1789372038}, "tier": 1, "alerts": [], "total_sd": 0.609, "total_ci95": [45.902, 48.331], "relegate_reason": [], "submitted_at": 1789352921, "scored_at": 1789372038, "rank": 2345}, {"candidate_id": "ODC-701BAD", "res_at": 1786933161, "skeleton": "SIQPNIWPDXBVMP", "hf_user": "choa712", "display_name": "LUCY-P10", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 46.923, "axes": {"activity": 18.41, "binding": 13.38, "selectivity": 5.04, "admet": 3.39, "novelty": 4.11, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.704, "fraction": 0.614}, "binding": {"pIC50": 7.01, "LE": 0.343, "potency_term": 0.669, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.42, "ld50-zhu": 0.754, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "2", "pAct_q10": 5.704450335770841, "aff_pf": -1.007564902305603, "aff_hs": -0.25419318675994873, "repeats_pf": {"runs": 3, "values": [-0.8135, -1.0931, -1.1162], "mean": -1.0076, "spread": 0.3027}, "repeats_hs": {"runs": 3, "values": [-0.329, -0.3015, -0.1321], "mean": -0.2542, "spread": 0.1969}, "at": 1786933161}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925598, "scored_at": 1786933161, "alerts": [], "rank": 2346}, {"candidate_id": "ODC-1C52B1", "res_at": 1786929640, "skeleton": "WMYJTUPRRNVGMZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 46.902, "axes": {"activity": 21.87, "binding": 9.57, "selectivity": 3.45, "admet": 4.18, "novelty": 4.93, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.912, "fraction": 0.729}, "binding": {"pIC50": 6.44, "LE": 0.315, "potency_term": 0.479, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.36, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.541, "ld50-zhu": 0.682, "herg": 0.102, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "2", "pAct_q10": 5.912141572808012, "aff_pf": -0.43580450614293414, "aff_hs": 0.2843561073144277, "repeats_pf": {"runs": 3, "values": [-0.4152, -0.4627, -0.4296], "mean": -0.4358, "spread": 0.0475}, "repeats_hs": {"runs": 3, "values": [0.2136, 0.4337, 0.2057], "mean": 0.2844, "spread": 0.2279}, "at": 1786929640}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924545, "scored_at": 1786929640, "alerts": [], "rank": 2347}, {"candidate_id": "ODC-D8C61A", "res_at": 1787042656, "skeleton": "SNXKMXXVSXKBIG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 46.883, "axes": {"activity": 14.15, "binding": 12.66, "selectivity": 9.6, "admet": 4.19, "novelty": 3.54, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.472}, "binding": {"pIC50": 6.9, "LE": 0.43, "potency_term": 0.633, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.8, "selectivity_term": 0.758, "target_engagement": 0.633}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.138, "ld50-zhu": 0.492, "herg": 0.257, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.449217165988304, "aff_pf": -0.8996004660924276, "aff_hs": 0.6159553726514181, "repeats_pf": {"runs": 3, "values": [-0.9674, -0.9233, -0.8081], "mean": -0.8996, "spread": 0.1592}, "repeats_hs": {"runs": 3, "values": [0.6272, 0.5663, 0.6544], "mean": 0.616, "spread": 0.088}, "at": 1787042656}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038321, "scored_at": 1787042656, "alerts": [], "rank": 2348}, {"candidate_id": "ODC-1D046D", "res_at": 1787710381, "skeleton": "LXNJKZRUGIDMMZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)Oc··········#N)n1", "total": 46.865, "axes": {"activity": 24.32, "binding": 6.48, "selectivity": 1.51, "admet": 7.3, "novelty": 6.14, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 6.059, "fraction": 0.811}, "binding": {"pIC50": 6.08, "LE": 0.269, "potency_term": 0.361, "efficiency_cap": 0.896}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.361}, "admet": {"geometric_mean": 0.6, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 0.957, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.901, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.829, "herg": 0.05, "dili": 0.89}}, "novelty": {"max_tanimoto": 0.243, "novelty": 0.757}, "synthesis": {"sa_score": 5.04}}, "run": {"gpu": "3", "pAct_q10": 6.059226398409675, "aff_pf": -0.08441212028265, "aff_hs": 0.3344544991850853, "repeats_pf": {"runs": 3, "values": [0.1353, -0.0832, -0.3053], "mean": -0.0844, "spread": 0.4406}, "repeats_hs": {"runs": 3, "values": [0.489, 0.0493, 0.4651], "mean": 0.3345, "spread": 0.4396}, "at": 1787710381}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709610, "scored_at": 1787710381, "alerts": [], "rank": 2349}, {"candidate_id": "ODC-FC3C8A", "res_at": 1787526389, "skeleton": "PMRUKQTYZJTQEJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 46.858, "axes": {"activity": 6.49, "binding": 16.29, "selectivity": 10.16, "admet": 5.64, "novelty": 5.26, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 4.989, "fraction": 0.216}, "binding": {"pIC50": 7.44, "LE": 0.425, "potency_term": 0.814, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.602, "ld50-zhu": 0.505, "herg": 0.175, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 4.989155606562339, "aff_pf": -1.4428723653157551, "aff_hs": -0.19491315881411234, "repeats_pf": {"runs": 3, "values": [-1.4247, -1.4483, -1.4556], "mean": -1.4429, "spread": 0.031}, "repeats_hs": {"runs": 3, "values": [-0.2178, -0.2196, -0.1473], "mean": -0.1949, "spread": 0.0722}, "at": 1787526389}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520678, "scored_at": 1787526389, "alerts": [], "rank": 2350}, {"candidate_id": "ODC-22297E", "res_at": 1789312492, "skeleton": "NHOAWPMCUBSEBA", "hf_user": "trblnfxn", "display_name": "NC-BRG-02_MW412_cPrMeAm", "model_name": "Hermes-MWBridge-v8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.837, "axes": {"activity": 22.22, "binding": 8.12, "selectivity": 5.18, "admet": 3.68, "novelty": 4.31, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.933, "fraction": 0.741}, "binding": {"pIC50": 6.22, "LE": 0.304, "potency_term": 0.406, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.9, "selectivity_term": 0.638, "target_engagement": 0.406}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.206, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.469, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.933092112299862, "aff_pf": -0.2175049583117167, "aff_hs": 1.0592101017634075, "repeats_pf": {"runs": 3, "values": [-0.2096, -0.2373, -0.2056], "mean": -0.2175, "spread": 0.0317}, "repeats_hs": {"runs": 3, "values": [1.0934, 1.023, 1.0612], "mean": 1.0592, "spread": 0.0703}, "at": 1789312492}, "tier": 1, "alerts": [], "total_sd": 0.131, "total_ci95": [46.615, 47.091], "relegate_reason": [], "submitted_at": 1789309895, "scored_at": 1789312492, "rank": 2351}, {"candidate_id": "ODC-FA5035", "res_at": 1787721483, "skeleton": "YYIWSZUNNKQNSI", "hf_user": "Moonweave", "display_name": "M5AI-F2POS-CAND-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········F)c1F", "total": 46.836, "axes": {"activity": 15.11, "binding": 14.49, "selectivity": 6.34, "admet": 3.13, "novelty": 4.56, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.507, "fraction": 0.504}, "binding": {"pIC50": 7.17, "LE": 0.328, "potency_term": 0.725, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.437, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.471, "herg": 0.05, "dili": 0.267}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.5065048348969, "aff_pf": -1.1740121046702068, "aff_hs": -0.29968612392743427, "repeats_pf": {"runs": 3, "values": [-1.1209, -1.2429, -1.1582], "mean": -1.174, "spread": 0.122}, "repeats_hs": {"runs": 3, "values": [-0.2484, -0.3434, -0.3073], "mean": -0.2997, "spread": 0.095}, "at": 1787721483}, "tier": 1, "relegate_reason": [], "submitted_at": 1787718664, "scored_at": 1787721483, "alerts": [], "rank": 2352}, {"candidate_id": "ODC-03D5A6", "res_at": 1787871576, "skeleton": "JHPSKYGTXQPUHE", "hf_user": "Moonweave", "display_name": "M5AI-F12-AKO-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········)cc1F", "total": 46.834, "axes": {"activity": 14.79, "binding": 15.3, "selectivity": 6.12, "admet": 2.91, "novelty": 4.89, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.488, "fraction": 0.493}, "binding": {"pIC50": 7.29, "LE": 0.333, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.475, "herg": 0.05, "dili": 0.472}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.487500601769168, "aff_pf": -1.2945126295089722, "aff_hs": -0.4948793053627014, "repeats_pf": {"runs": 3, "values": [-1.3385, -1.207, -1.3381], "mean": -1.2945, "spread": 0.1315}, "repeats_hs": {"runs": 3, "values": [-0.5933, -0.4596, -0.4317], "mean": -0.4949, "spread": 0.1615}, "at": 1787843252}, "tier": 1, "relegate_reason": [], "submitted_at": 1787790999, "scored_at": 1787843252, "alerts": [], "rank": 2353}, {"candidate_id": "ODC-699B95", "res_at": 1787505832, "skeleton": "DTCJGDXPMOLKTJ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.81, "axes": {"activity": 17.1, "binding": 11.45, "selectivity": 9.53, "admet": 2.31, "novelty": 3.87, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 6.99, "LE": 0.259, "potency_term": 0.664, "efficiency_cap": 0.863}, "selectivity": {"fold": 27.3, "selectivity_term": 0.718, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.349, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.489, "herg": 0.05, "dili": 0.135}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.626036103188762, "aff_pf": -0.9906005462010702, "aff_hs": 0.44604308406511944, "repeats_pf": {"runs": 3, "values": [-0.9373, -1.0527, -0.9818], "mean": -0.9906, "spread": 0.1154}, "repeats_hs": {"runs": 3, "values": [0.4812, 0.4339, 0.423], "mean": 0.446, "spread": 0.0582}, "at": 1787505832}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497953, "scored_at": 1787505832, "alerts": [], "rank": 2354}, {"candidate_id": "ODC-FAB1D5", "res_at": 1787163091, "skeleton": "YOPPHINCKJWKRR", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.809, "axes": {"activity": 11.84, "binding": 14.3, "selectivity": 7.94, "admet": 6.55, "novelty": 3.08, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.395}, "binding": {"pIC50": 7.14, "LE": 0.426, "potency_term": 0.715, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.555, "target_engagement": 0.715}, "admet": {"geometric_mean": 0.611, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.779, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.564, "herg": 0.92, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.310122316383033, "aff_pf": -1.1446837584177654, "aff_hs": -0.034237620731194816, "repeats_pf": {"runs": 3, "values": [-1.1525, -1.1554, -1.1261], "mean": -1.1447, "spread": 0.0294}, "repeats_hs": {"runs": 3, "values": [-0.0457, -0.0289, -0.0282], "mean": -0.0342, "spread": 0.0175}, "at": 1787163091}, "tier": 1, "relegate_reason": [], "submitted_at": 1787152080, "scored_at": 1787163091, "alerts": [], "rank": 2355}, {"candidate_id": "ODC-A4DEF6", "res_at": 1787323441, "skeleton": "PRCXGRJJWVQOCG", "hf_user": "Ku-ku", "display_name": "C_4I_3OMe", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1I", "total": 46.807, "axes": {"activity": 19.36, "binding": 11.06, "selectivity": 5.91, "admet": 4.22, "novelty": 3.33, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.762, "fraction": 0.645}, "binding": {"pIC50": 6.66, "LE": 0.38, "potency_term": 0.553, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.553}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 0.707, "ld50-zhu": 0.355, "herg": 0.184, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.761651593810152, "aff_pf": -0.6596105297406515, "aff_hs": 0.408080259958903, "repeats_pf": {"runs": 3, "values": [-0.6519, -0.6659, -0.661], "mean": -0.6596, "spread": 0.014}, "repeats_hs": {"runs": 3, "values": [0.4131, 0.4126, 0.3986], "mean": 0.4081, "spread": 0.0145}, "at": 1787323441}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322682, "scored_at": 1787323441, "alerts": [], "rank": 2356}, {"candidate_id": "ODC-D929D3", "res_at": 1788317318, "skeleton": "LCNDNALAHFBWNA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.797, "axes": {"activity": 13.04, "binding": 15.54, "selectivity": 5.82, "admet": 5.2, "novelty": 3.52, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.435}, "binding": {"pIC50": 7.33, "LE": 0.456, "potency_term": 0.777, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.375, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.522, "herg": 0.376, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.382109808434953, "aff_pf": -1.330306847890218, "aff_hs": -0.581280251344045, "repeats_pf": {"runs": 3, "values": [-1.3262, -1.3323, -1.3325], "mean": -1.3303, "spread": 0.0063}, "repeats_hs": {"runs": 3, "values": [-0.5768, -0.5514, -0.6157], "mean": -0.5813, "spread": 0.0643}, "at": 1788317318}, "tier": 1, "alerts": [], "total_sd": 0.124, "total_ci95": [46.539, 47.029], "relegate_reason": [], "submitted_at": 1788316347, "scored_at": 1788317318, "rank": 2357}, {"candidate_id": "ODC-1FA613", "res_at": 1788269053, "skeleton": "NBVQLPVGSHFXHP", "hf_user": "Bio-JS", "display_name": "0901b-S1 옥세탄-바이닐 x 설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CC1(c··········)COC1", "total": 46.793, "axes": {"activity": 12.78, "binding": 12.3, "selectivity": 12.35, "admet": 2.7, "novelty": 4.23, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 7.1, "LE": 0.263, "potency_term": 0.702, "efficiency_cap": 0.877}, "selectivity": {"fold": 57.6, "selectivity_term": 0.88, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.435, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.424, "herg": 0.05, "dili": 0.197}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.366736303368005, "aff_pf": -1.104823927084605, "aff_hs": 0.6554499864578247, "repeats_pf": {"runs": 3, "values": [-1.1074, -1.2268, -0.9802], "mean": -1.1048, "spread": 0.2466}, "repeats_hs": {"runs": 3, "values": [0.5838, 0.7409, 0.6417], "mean": 0.6554, "spread": 0.1572}, "at": 1788269053}, "tier": 1, "alerts": [], "total_sd": 1.648, "total_ci95": [43.508, 50.063], "relegate_reason": [], "submitted_at": 1788264076, "scored_at": 1788269053, "rank": 2358}, {"candidate_id": "ODC-0CE67F", "res_at": 1786873947, "skeleton": "WVNTXYHYHNHKTK", "hf_user": "Binggu8", "display_name": "BG70-V804", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.779, "axes": {"activity": 14.04, "binding": 14.33, "selectivity": 6.12, "admet": 5.81, "novelty": 3.39, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 7.15, "LE": 0.426, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.427, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.872, "ld50-zhu": 0.553, "herg": 0.596, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.44231830386403, "aff_pf": -1.1494983434677124, "aff_hs": -0.29562821984291077, "repeats_pf": {"runs": 3, "values": [-1.1247, -1.1761, -1.1477], "mean": -1.1495, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [-0.3973, -0.2111, -0.2785], "mean": -0.2956, "spread": 0.1862}, "at": 1786873947}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866422, "scored_at": 1786873947, "alerts": [], "rank": 2359}, {"candidate_id": "ODC-A678CD", "res_at": 1786893520, "skeleton": "MRYMWEOMRJFNMB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-007 70-point QC gate", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.777, "axes": {"activity": 14.54, "binding": 15.69, "selectivity": 5.37, "admet": 4.68, "novelty": 2.96, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.472, "fraction": 0.485}, "binding": {"pIC50": 7.35, "LE": 0.42, "potency_term": 0.785, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.785}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.636, "herg": 0.204, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.472214485576815, "aff_pf": -1.353786031405131, "aff_hs": -0.6693844000498453, "repeats_pf": {"runs": 3, "values": [-1.3692, -1.3337, -1.3585], "mean": -1.3538, "spread": 0.0355}, "repeats_hs": {"runs": 3, "values": [-0.7986, -0.7811, -0.4285], "mean": -0.6694, "spread": 0.37}, "at": 1786893520}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886637, "scored_at": 1786893520, "alerts": [], "rank": 2360}, {"candidate_id": "ODC-6E2D26", "res_at": 1789265235, "skeleton": "GQTBCWLVJOJMHL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.776, "axes": {"activity": 12.29, "binding": 14.89, "selectivity": 8.11, "admet": 4.06, "novelty": 3.84, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 5.337, "fraction": 0.41}, "binding": {"pIC50": 7.23, "LE": 0.413, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.545, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.297, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.337190359156796, "aff_pf": -1.2331620852152507, "aff_hs": -0.14375252773364386, "repeats_pf": {"runs": 3, "values": [-1.2624, -1.1972, -1.2399], "mean": -1.2332, "spread": 0.0652}, "repeats_hs": {"runs": 3, "values": [-0.3393, -0.1047, 0.0128], "mean": -0.1438, "spread": 0.3521}, "at": 1789265235}, "tier": 1, "alerts": [], "total_sd": 0.735, "total_ci95": [45.32, 48.157], "relegate_reason": [], "submitted_at": 1789263049, "scored_at": 1789265235, "rank": 2361}, {"candidate_id": "ODC-20BE7C", "res_at": 1789186555, "skeleton": "URUCNDCWGCJHAK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.77, "axes": {"activity": 12.14, "binding": 15.76, "selectivity": 8.04, "admet": 4.71, "novelty": 2.18, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 7.36, "LE": 0.459, "potency_term": 0.788, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.51, "target_engagement": 0.788}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.358, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.328532042860723, "aff_pf": -1.3641798098882039, "aff_hs": -0.34378769000371295, "repeats_pf": {"runs": 3, "values": [-1.3346, -1.35, -1.4079], "mean": -1.3642, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [-0.3493, -0.358, -0.3241], "mean": -0.3438, "spread": 0.0339}, "at": 1789186555}, "tier": 1, "alerts": [], "total_sd": 0.399, "total_ci95": [46.111, 47.694], "relegate_reason": [], "submitted_at": 1789174518, "scored_at": 1789186555, "rank": 2362}, {"candidate_id": "ODC-2BA5CE", "res_at": 1789891733, "skeleton": "MVOIASLKMVGWDX", "hf_user": "Bio-JS", "display_name": "0918-S1-div25", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 46.769, "axes": {"activity": 12.77, "binding": 14.63, "selectivity": 7.34, "admet": 4.98, "novelty": 4.01, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.426}, "binding": {"pIC50": 7.19, "LE": 0.394, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.502, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.569, "herg": 0.337, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.366441067663457, "aff_pf": -1.1943671703338623, "aff_hs": -0.19038373231887817, "repeats_pf": {"runs": 3, "values": [-1.2247, -1.1649, -1.1935], "mean": -1.1944, "spread": 0.0598}, "repeats_hs": {"runs": 3, "values": [-0.1577, -0.2223, -0.1912], "mean": -0.1904, "spread": 0.0647}, "at": 1789891733}, "tier": 1, "alerts": [], "total_sd": 0.325, "total_ci95": [46.235, 47.384], "relegate_reason": [], "submitted_at": 1789687077, "scored_at": 1789891733, "rank": 2363}, {"candidate_id": "ODC-AE4E78", "res_at": 1788594450, "skeleton": "NAYFEKJDGJOREJ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 46.754, "axes": {"activity": 18.03, "binding": 12.3, "selectivity": 5.62, "admet": 4.25, "novelty": 4.02, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 6.84, "LE": 0.347, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.457, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.368, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.584, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.681958767666777, "aff_pf": -0.8444792429606119, "aff_hs": 0.06933033714691798, "repeats_pf": {"runs": 3, "values": [-0.8658, -0.7476, -0.92], "mean": -0.8445, "spread": 0.1723}, "repeats_hs": {"runs": 3, "values": [-0.0384, 0.1831, 0.0633], "mean": 0.0693, "spread": 0.2215}, "at": 1788594450}, "tier": 1, "alerts": [], "total_sd": 0.885, "total_ci95": [44.972, 48.266], "relegate_reason": [], "submitted_at": 1788583573, "scored_at": 1788594450, "rank": 2364}, {"candidate_id": "ODC-0DB050", "res_at": 1787526585, "skeleton": "MJTUVDAONOGITI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.753, "axes": {"activity": 19.44, "binding": 9.89, "selectivity": 7.53, "admet": 2.67, "novelty": 4.24, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.766, "fraction": 0.648}, "binding": {"pIC50": 6.7, "LE": 0.262, "potency_term": 0.566, "efficiency_cap": 0.874}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.381, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.114, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.428, "herg": 0.05, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.766215579648923, "aff_pf": -0.6977625290552775, "aff_hs": 0.6327292124430338, "repeats_pf": {"runs": 3, "values": [-0.729, -0.6576, -0.7067], "mean": -0.6978, "spread": 0.0713}, "repeats_hs": {"runs": 3, "values": [0.6836, 0.5813, 0.6332], "mean": 0.6327, "spread": 0.1023}, "at": 1787526585}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523263, "scored_at": 1787526585, "alerts": [], "rank": 2365}, {"candidate_id": "ODC-2D9108", "res_at": 1787121649, "skeleton": "IZQRKQVJQYYLNH", "hf_user": "FwangFwang", "display_name": "fwang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.742, "axes": {"activity": 14.44, "binding": 14.41, "selectivity": 7.99, "admet": 5.71, "novelty": 1.39, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.481}, "binding": {"pIC50": 7.16, "LE": 0.377, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.555, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.746, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.553, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.807, "novelty": 0.193}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.466598570039828, "aff_pf": -1.1619267861048381, "aff_hs": -0.05292373150587082, "repeats_pf": {"runs": 3, "values": [-1.151, -1.2423, -1.0924], "mean": -1.1619, "spread": 0.1499}, "repeats_hs": {"runs": 3, "values": [-0.0948, 0.0399, -0.1039], "mean": -0.0529, "spread": 0.1438}, "at": 1787121649}, "tier": 1, "relegate_reason": [], "submitted_at": 1787103538, "scored_at": 1787121649, "alerts": [], "rank": 2366}, {"candidate_id": "ODC-84196E", "res_at": 1789947547, "skeleton": "GDZPVRSTACXQIP", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 46.74, "axes": {"activity": 12.54, "binding": 14.21, "selectivity": 9.32, "admet": 4.34, "novelty": 3.14, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 7.13, "LE": 0.407, "potency_term": 0.71, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.656, "target_engagement": 0.71}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.959, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.112, "ld50-zhu": 0.126, "herg": 0.632, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.352125320717227, "aff_pf": -1.1308886210123699, "aff_hs": 0.1816756377617518, "repeats_pf": {"runs": 3, "values": [-1.0994, -1.1452, -1.148], "mean": -1.1309, "spread": 0.0485}, "repeats_hs": {"runs": 3, "values": [0.1635, 0.1162, 0.2653], "mean": 0.1817, "spread": 0.149}, "at": 1789947547}, "tier": 1, "alerts": [], "total_sd": 0.392, "total_ci95": [46.014, 47.471], "relegate_reason": [], "submitted_at": 1789829716, "scored_at": 1789947547, "rank": 2367}, {"candidate_id": "ODC-FFE607", "res_at": 1788964503, "skeleton": "CWKHVSBKFSDXDW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 46.717, "axes": {"activity": 9.16, "binding": 15.85, "selectivity": 10.54, "admet": 4.74, "novelty": 2.48, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 5.15, "fraction": 0.305}, "binding": {"pIC50": 7.38, "LE": 0.459, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.519, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.317, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "0", "pAct_q10": 5.149529210269587, "aff_pf": -1.3771432638168335, "aff_hs": -0.047140476604302727, "repeats_pf": {"runs": 3, "values": [-1.3346, -1.408, -1.3888], "mean": -1.3771, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.0159, -0.0632, -0.0942], "mean": -0.0471, "spread": 0.1101}, "at": 1788964503}, "tier": 1, "alerts": [], "total_sd": 0.485, "total_ci95": [45.714, 47.593], "relegate_reason": [], "submitted_at": 1788963178, "scored_at": 1788964503, "rank": 2368}, {"candidate_id": "ODC-F1834B", "res_at": 1789916584, "skeleton": "ITGDJBGGORLKJI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 46.71, "axes": {"activity": 16.28, "binding": 15.52, "selectivity": 3.84, "admet": 3.93, "novelty": 3.82, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.577, "fraction": 0.543}, "binding": {"pIC50": 7.33, "LE": 0.402, "potency_term": 0.776, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.217, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.466, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.576668597299109, "aff_pf": -1.328524152437846, "aff_hs": -0.8335448702176412, "repeats_pf": {"runs": 3, "values": [-1.3948, -1.3382, -1.2526], "mean": -1.3285, "spread": 0.1422}, "repeats_hs": {"runs": 3, "values": [-0.8306, -0.8533, -0.8168], "mean": -0.8335, "spread": 0.0365}, "at": 1789916584}, "tier": 1, "alerts": [], "total_sd": 0.69, "total_ci95": [45.182, 48.105], "relegate_reason": [], "submitted_at": 1789889260, "scored_at": 1789916584, "rank": 2369}, {"candidate_id": "ODC-E24994", "res_at": 1788535271, "skeleton": "GNBWWCMIGPVXAD", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 46.709, "axes": {"activity": 14.2, "binding": 13.06, "selectivity": 8.55, "admet": 5.08, "novelty": 3.03, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.452, "fraction": 0.473}, "binding": {"pIC50": 6.96, "LE": 0.397, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.4, "selectivity_term": 0.655, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.299, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.339, "herg": 0.713, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.451719376176733, "aff_pf": -0.958265999952952, "aff_hs": 0.3508836030960083, "repeats_pf": {"runs": 3, "values": [-0.9302, -0.9809, -0.9637], "mean": -0.9583, "spread": 0.0507}, "repeats_hs": {"runs": 3, "values": [0.3623, 0.3613, 0.329], "mean": 0.3509, "spread": 0.0332}, "at": 1788535271}, "tier": 1, "alerts": [], "total_sd": 0.296, "total_ci95": [46.131, 47.173], "relegate_reason": [], "submitted_at": 1788489650, "scored_at": 1788535271, "rank": 2370}, {"candidate_id": "ODC-354CA7", "res_at": 1788774923, "skeleton": "RGDGEXYQUWTFMK", "hf_user": "Bio-JS", "display_name": "0906-S1-24 SCHF2/H/R6-Cl/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 46.703, "axes": {"activity": 14.26, "binding": 12.21, "selectivity": 9.76, "admet": 3.79, "novelty": 4.01, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 6.83, "LE": 0.407, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.7, "selectivity_term": 0.799, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.268, "herg": 0.721, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.455643832280801, "aff_pf": -0.8319317301114401, "aff_hs": 0.7664435307184855, "repeats_pf": {"runs": 3, "values": [-0.8209, -0.7939, -0.881], "mean": -0.8319, "spread": 0.0871}, "repeats_hs": {"runs": 3, "values": [0.7558, 0.7054, 0.8381], "mean": 0.7664, "spread": 0.1327}, "at": 1788774923}, "tier": 1, "alerts": [], "total_sd": 0.575, "total_ci95": [45.702, 47.985], "relegate_reason": [], "submitted_at": 1788666066, "scored_at": 1788774923, "rank": 2371}, {"candidate_id": "ODC-AB4B97", "res_at": 1787724535, "skeleton": "HQYLBPNAXGTGGE", "hf_user": "Ku-ku", "display_name": "KK-M-0826-R5", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 46.692, "axes": {"activity": 22.5, "binding": 10.52, "selectivity": 1.24, "admet": 4.14, "novelty": 5.08, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.95, "fraction": 0.75}, "binding": {"pIC50": 6.58, "LE": 0.361, "potency_term": 0.526, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.118, "target_engagement": 0.526}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.478, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.941, "ld50-zhu": 0.452, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.950247081847564, "aff_pf": -0.5787200331687927, "aff_hs": -0.3433491612474124, "repeats_pf": {"runs": 3, "values": [-0.6024, -0.615, -0.5188], "mean": -0.5787, "spread": 0.0962}, "repeats_hs": {"runs": 3, "values": [-0.4484, -0.0751, -0.5066], "mean": -0.3433, "spread": 0.4315}, "at": 1787724535}, "tier": 1, "relegate_reason": [], "submitted_at": 1787719801, "scored_at": 1787724535, "alerts": [], "rank": 2372}, {"candidate_id": "ODC-AA9C0C", "res_at": 1789442291, "skeleton": "FRODGKBPSLWBOE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.691, "axes": {"activity": 8.32, "binding": 15.27, "selectivity": 10.17, "admet": 4.92, "novelty": 4.48, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.099, "fraction": 0.277}, "binding": {"pIC50": 7.29, "LE": 0.416, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.5, "selectivity_term": 0.666, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.099110951749067, "aff_pf": -1.2905192375183105, "aff_hs": 0.0416614164908727, "repeats_pf": {"runs": 3, "values": [-1.2025, -1.3093, -1.3598], "mean": -1.2905, "spread": 0.1574}, "repeats_hs": {"runs": 3, "values": [-0.0753, 0.203, -0.0027], "mean": 0.0417, "spread": 0.2784}, "at": 1789442291}, "tier": 1, "alerts": [], "total_sd": 1.092, "total_ci95": [44.73, 49.127], "relegate_reason": [], "submitted_at": 1789436108, "scored_at": 1789442291, "rank": 2373}, {"candidate_id": "ODC-A11748", "res_at": 1787262164, "skeleton": "KWTSIXWRHMNHKE", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(C)cc(Nc3ccc(Br)c(F)c3F)n2n1", "smiles_masked": null, "total": 46.674, "axes": {"activity": 7.16, "binding": 15.59, "selectivity": 11.33, "admet": 5.65, "novelty": 3.38, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.03, "fraction": 0.239}, "binding": {"pIC50": 7.34, "LE": 0.457, "potency_term": 0.78, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.4, "selectivity_term": 0.727, "target_engagement": 0.78}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.321, "herg": 0.867, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.029673769439193, "aff_pf": -1.3385664224624634, "aff_hs": 0.1153131475051244, "repeats_pf": {"runs": 3, "values": [-1.3206, -1.3199, -1.3753], "mean": -1.3386, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [0.1608, 0.0954, 0.0898], "mean": 0.1153, "spread": 0.071}, "at": 1787262164}, "tier": 1, "relegate_reason": [], "submitted_at": 1787261989, "scored_at": 1787262164, "alerts": [], "rank": 2374}, {"candidate_id": "ODC-1BF8DA", "res_at": 1787065601, "skeleton": "OPWHAGBJVDILKC", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LH02", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.667, "axes": {"activity": 12.34, "binding": 14.51, "selectivity": 9.06, "admet": 3.88, "novelty": 3.74, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.411}, "binding": {"pIC50": 7.18, "LE": 0.393, "potency_term": 0.725, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.625, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.55, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.546, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.340618933199745, "aff_pf": -1.1760991017023723, "aff_hs": 0.07327476888895035, "repeats_pf": {"runs": 3, "values": [-1.1835, -1.2034, -1.1414], "mean": -1.1761, "spread": 0.062}, "repeats_hs": {"runs": 3, "values": [0.1054, 0.0512, 0.0633], "mean": 0.0733, "spread": 0.0542}, "at": 1787065601}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064674, "scored_at": 1787065601, "alerts": [], "rank": 2375}, {"candidate_id": "ODC-6F92CB", "res_at": 1786875427, "skeleton": "XTAFCYVKUNHLDJ", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.665, "axes": {"activity": 12.9, "binding": 12.22, "selectivity": 12.22, "admet": 4.45, "novelty": 2.25, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 6.83, "LE": 0.407, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 120.0, "selectivity_term": 1.0, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.35, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.366, "herg": 0.673, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.373712921201684, "aff_pf": -0.8327291409174601, "aff_hs": 1.246625026067098, "repeats_pf": {"runs": 3, "values": [-0.8175, -0.8963, -0.7843], "mean": -0.8327, "spread": 0.112}, "repeats_hs": {"runs": 3, "values": [1.2208, 1.2679, 1.2511], "mean": 1.2466, "spread": 0.0471}, "at": 1786875427}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867652, "scored_at": 1786875427, "alerts": [], "rank": 2376}, {"candidate_id": "ODC-2BBFDD", "res_at": 1790022731, "skeleton": "LBNVWFBTFMYBAK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)c··········cc1Br", "total": 46.664, "axes": {"activity": 16.12, "binding": 13.99, "selectivity": 6.16, "admet": 4.03, "novelty": 4.03, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 7.1, "LE": 0.389, "potency_term": 0.7, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.638, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.233, "ld50-zhu": 0.692, "herg": 0.329, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "2", "pAct_q10": 5.5671651593834826, "aff_pf": -1.0987815856933594, "aff_hs": -0.2188701033592224, "repeats_pf": {"runs": 3, "values": [-1.1207, -1.0827, -1.0929], "mean": -1.0988, "spread": 0.038}, "repeats_hs": {"runs": 3, "values": [-0.2396, -0.1713, -0.2457], "mean": -0.2189, "spread": 0.0745}, "at": 1790022731}, "tier": 1, "alerts": [], "total_sd": 0.246, "total_ci95": [46.219, 47.153], "relegate_reason": [], "submitted_at": 1790008972, "scored_at": 1790022731, "rank": 2377}, {"candidate_id": "ODC-97A35F", "res_at": 1788763341, "skeleton": "CTQHTHAMPHKGLS", "hf_user": "Bio-JS", "display_name": "0906-S1-05 SMe/H/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.644, "axes": {"activity": 7.23, "binding": 15.56, "selectivity": 10.73, "admet": 5.18, "novelty": 4.54, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.034, "fraction": 0.241}, "binding": {"pIC50": 7.33, "LE": 0.437, "potency_term": 0.778, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.9, "selectivity_term": 0.689, "target_engagement": 0.778}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.406, "ld50-zhu": 0.373, "herg": 0.623, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.034014830080566, "aff_pf": -1.3340500593185425, "aff_hs": 0.04490568737188975, "repeats_pf": {"runs": 3, "values": [-1.29, -1.3953, -1.3168], "mean": -1.3341, "spread": 0.1053}, "repeats_hs": {"runs": 3, "values": [-0.052, 0.0946, 0.0922], "mean": 0.0449, "spread": 0.1466}, "at": 1788763341}, "tier": 1, "alerts": [], "total_sd": 0.68, "total_ci95": [45.408, 48.161], "relegate_reason": [], "submitted_at": 1788665895, "scored_at": 1788763341, "rank": 2378}, {"candidate_id": "ODC-89E0C3", "res_at": 1786945797, "skeleton": "PSJAFTPNDDRWJH", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.636, "axes": {"activity": 16.2, "binding": 15.3, "selectivity": 4.02, "admet": 3.59, "novelty": 4.18, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.572, "fraction": 0.54}, "binding": {"pIC50": 7.29, "LE": 0.4, "potency_term": 0.765, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.263, "target_engagement": 0.765}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.979, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.289, "ld50-zhu": 0.61, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.571767883844441, "aff_pf": -1.2946186463038127, "aff_hs": -0.7696032524108887, "repeats_pf": {"runs": 3, "values": [-1.2231, -1.4076, -1.2531], "mean": -1.2946, "spread": 0.1845}, "repeats_hs": {"runs": 3, "values": [-0.7418, -0.6748, -0.8922], "mean": -0.7696, "spread": 0.2174}, "at": 1786945797}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934285, "scored_at": 1786945797, "alerts": [], "rank": 2379}, {"candidate_id": "ODC-86FDF0", "res_at": 1787032794, "skeleton": "AYYZJMFEIRMMRJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 46.628, "axes": {"activity": 19.85, "binding": 11.75, "selectivity": 3.74, "admet": 4.82, "novelty": 3.89, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.791, "fraction": 0.662}, "binding": {"pIC50": 6.76, "LE": 0.371, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.418, "herg": 0.535, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.791259603332865, "aff_pf": -0.7627106706301371, "aff_hs": -0.12668177237113318, "repeats_pf": {"runs": 3, "values": [-0.7503, -0.728, -0.8098], "mean": -0.7627, "spread": 0.0818}, "repeats_hs": {"runs": 3, "values": [-0.0634, -0.1868, -0.1298], "mean": -0.1267, "spread": 0.1234}, "at": 1787032794}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030785, "scored_at": 1787032794, "alerts": [], "rank": 2380}, {"candidate_id": "ODC-CDDA1C", "res_at": 1788524022, "skeleton": "IVMZBDFVFQVOAO", "hf_user": "Bio-JS", "display_name": "0904-S1 P0/azetidin3yl/spiroSO", "model_name": "Bio-JS", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.628, "axes": {"activity": 19.99, "binding": 10.77, "selectivity": 6.08, "admet": 3.19, "novelty": 4.5, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.799, "fraction": 0.666}, "binding": {"pIC50": 6.86, "LE": 0.261, "potency_term": 0.619, "efficiency_cap": 0.87}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.31, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.559, "herg": 0.05, "dili": 0.23}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "0", "pAct_q10": 5.799303490829732, "aff_pf": -0.8577608267466227, "aff_hs": 0.12469036380449931, "repeats_pf": {"runs": 3, "values": [-0.8736, -0.8265, -0.8733], "mean": -0.8578, "spread": 0.0471}, "repeats_hs": {"runs": 3, "values": [0.0705, 0.1363, 0.1672], "mean": 0.1247, "spread": 0.0967}, "at": 1788524022}, "tier": 1, "alerts": [], "total_sd": 0.256, "total_ci95": [46.168, 47.097], "relegate_reason": [], "submitted_at": 1788488044, "scored_at": 1788524022, "rank": 2381}, {"candidate_id": "ODC-28B2B7", "res_at": 1787522245, "skeleton": "PWBGCXCZLVMOMJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 46.627, "axes": {"activity": 23.3, "binding": 8.23, "selectivity": 0.72, "admet": 6.08, "novelty": 5.22, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.998, "fraction": 0.777}, "binding": {"pIC50": 6.23, "LE": 0.316, "potency_term": 0.412, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.088, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.786, "cyp3a4-substrate-carbonmangels": 0.768, "ld50-zhu": 0.472, "herg": 0.24, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.9981778338889065, "aff_pf": -0.23458639283974966, "aff_hs": -0.05860487868388494, "repeats_pf": {"runs": 3, "values": [-0.2291, -0.2352, -0.2394], "mean": -0.2346, "spread": 0.0103}, "repeats_hs": {"runs": 3, "values": [-0.09, -0.0244, -0.0614], "mean": -0.0586, "spread": 0.0656}, "at": 1787522245}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520520, "scored_at": 1787522245, "alerts": [], "rank": 2382}, {"candidate_id": "ODC-42835C", "res_at": 1786909142, "skeleton": "DKDKEUIJYOFCOK", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 46.625, "axes": {"activity": 11.78, "binding": 13.17, "selectivity": 10.45, "admet": 4.54, "novelty": 3.89, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 6.98, "LE": 0.398, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.7, "selectivity_term": 0.794, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.615, "ld50-zhu": 0.589, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.306726827028096, "aff_pf": -0.9752876361211141, "aff_hs": 0.6119004885355631, "repeats_pf": {"runs": 3, "values": [-1.0616, -0.8478, -1.0164], "mean": -0.9753, "spread": 0.2138}, "repeats_hs": {"runs": 3, "values": [0.6557, 0.5808, 0.5992], "mean": 0.6119, "spread": 0.0748}, "at": 1786909142}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899442, "scored_at": 1786909142, "alerts": [], "rank": 2383}, {"candidate_id": "ODC-CE8C52", "res_at": 1787041702, "skeleton": "HPRVTCYVDKLUFI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 46.619, "axes": {"activity": 14.82, "binding": 14.56, "selectivity": 6.41, "admet": 4.57, "novelty": 3.44, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.489, "fraction": 0.494}, "binding": {"pIC50": 7.18, "LE": 0.394, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.833, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.859, "ld50-zhu": 0.544, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.489148352930134, "aff_pf": -1.1847370465596516, "aff_hs": -0.3038656711578369, "repeats_pf": {"runs": 3, "values": [-1.1903, -1.1786, -1.1853], "mean": -1.1847, "spread": 0.0118}, "repeats_hs": {"runs": 3, "values": [-0.3097, -0.2785, -0.3234], "mean": -0.3039, "spread": 0.0449}, "at": 1787041702}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038297, "scored_at": 1787041702, "alerts": [], "rank": 2384}, {"candidate_id": "ODC-73755F", "res_at": 1787244835, "skeleton": "ODZXRPVYCIJVAA", "hf_user": "1Dmeds", "display_name": "ODC26-R15-12", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········cc1Br", "total": 46.604, "axes": {"activity": 18.27, "binding": 13.63, "selectivity": 3.69, "admet": 3.82, "novelty": 4.41, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.696, "fraction": 0.609}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.685, "ld50-zhu": 0.514, "herg": 0.375, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.6964018133766245, "aff_pf": -1.0446998476982117, "aff_hs": -0.5040193597475687, "repeats_pf": {"runs": 3, "values": [-1.0464, -1.1076, -0.98], "mean": -1.0447, "spread": 0.1276}, "repeats_hs": {"runs": 3, "values": [-0.5555, -0.4251, -0.5315], "mean": -0.504, "spread": 0.1304}, "at": 1787244835}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238561, "scored_at": 1787244835, "alerts": [], "rank": 2385}, {"candidate_id": "ODC-09B2AB", "res_at": 1787381902, "skeleton": "ZFWDVMHBGBWTOF", "hf_user": "Ku-ku", "display_name": "Y1_arm_4I", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········nc2n1", "total": 46.586, "axes": {"activity": 20.52, "binding": 9.61, "selectivity": 5.36, "admet": 3.92, "novelty": 4.1, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.831, "fraction": 0.684}, "binding": {"pIC50": 6.44, "LE": 0.304, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.0, "selectivity_term": 0.557, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.166, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.799, "ld50-zhu": 0.434, "herg": 0.187, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.831015638226779, "aff_pf": -0.4413716395696004, "aff_hs": 0.6736093163490295, "repeats_pf": {"runs": 3, "values": [-0.4303, -0.4459, -0.4479], "mean": -0.4414, "spread": 0.0177}, "repeats_hs": {"runs": 3, "values": [0.625, 0.7983, 0.5975], "mean": 0.6736, "spread": 0.2008}, "at": 1787381902}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381478, "scored_at": 1787381902, "alerts": [], "rank": 2386}, {"candidate_id": "ODC-040451", "res_at": 1786847230, "skeleton": "VTOHTXOQLAQKNR", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Opus-5", "mw_band": "400-450", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(S(F)(F)(F)(F)F)cc3)n2n1", "smiles_masked": null, "total": 46.58, "axes": {"activity": 11.79, "binding": 15.74, "selectivity": 7.49, "admet": 5.54, "novelty": 3.09, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 7.36, "LE": 0.403, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.476, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.553, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.886, "ld50-zhu": 0.868, "herg": 0.17, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "2", "pAct_q10": 5.307561934541877, "aff_pf": -1.3606343269348145, "aff_hs": -0.4091967046260834, "repeats_pf": {"runs": 3, "values": [-1.3345, -1.3822, -1.3651], "mean": -1.3606, "spread": 0.0477}, "repeats_hs": {"runs": 3, "values": [-0.366, -0.4981, -0.3635], "mean": -0.4092, "spread": 0.1346}, "at": 1786847230}, "tier": 1, "relegate_reason": [], "submitted_at": 1786844194, "scored_at": 1786847230, "alerts": [], "rank": 2387}, {"candidate_id": "ODC-7DF1CC", "res_at": 1789922840, "skeleton": "LIYPWNMVKYHVRV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.58, "axes": {"activity": 15.89, "binding": 15.66, "selectivity": 2.0, "admet": 5.69, "novelty": 3.85, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 7.35, "LE": 0.403, "potency_term": 0.783, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.783}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.192, "ld50-zhu": 0.701, "herg": 0.293, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.553633950996261, "aff_pf": -1.3484511772791545, "aff_hs": -1.0930139621098836, "repeats_pf": {"runs": 3, "values": [-1.3512, -1.3594, -1.3348], "mean": -1.3485, "spread": 0.0247}, "repeats_hs": {"runs": 3, "values": [-1.0967, -1.0866, -1.0957], "mean": -1.093, "spread": 0.0101}, "at": 1789922840}, "tier": 1, "alerts": [], "total_sd": 0.12, "total_ci95": [46.383, 46.806], "relegate_reason": [], "submitted_at": 1789758107, "scored_at": 1789922840, "rank": 2388}, {"candidate_id": "ODC-9BAA5D", "res_at": 1788233490, "skeleton": "ISIAFNIDPWYXPB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.577, "axes": {"activity": 13.1, "binding": 12.31, "selectivity": 10.94, "admet": 3.62, "novelty": 4.07, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.437}, "binding": {"pIC50": 6.85, "LE": 0.375, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.9, "selectivity_term": 0.889, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.604, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.386042892008172, "aff_pf": -0.8459138671557108, "aff_hs": 0.9313228925069174, "repeats_pf": {"runs": 3, "values": [-0.8467, -0.8171, -0.8739], "mean": -0.8459, "spread": 0.0567}, "repeats_hs": {"runs": 3, "values": [0.9287, 0.8876, 0.9777], "mean": 0.9313, "spread": 0.0901}, "at": 1788233490}, "tier": 1, "alerts": [], "total_sd": 0.32, "total_ci95": [45.963, 47.225], "relegate_reason": [], "submitted_at": 1788189719, "scored_at": 1788233490, "rank": 2389}, {"candidate_id": "ODC-BD3CCC", "res_at": 1789377030, "skeleton": "ZWAFTFWMIVUYIR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 46.571, "axes": {"activity": 12.67, "binding": 14.69, "selectivity": 7.1, "admet": 4.99, "novelty": 3.79, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.36, "fraction": 0.422}, "binding": {"pIC50": 7.2, "LE": 0.395, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.483, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.362, "herg": 0.1, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.3600729536525895, "aff_pf": -1.2033702532450359, "aff_hs": -0.23707705239454904, "repeats_pf": {"runs": 3, "values": [-1.048, -1.2979, -1.2642], "mean": -1.2034, "spread": 0.2499}, "repeats_hs": {"runs": 3, "values": [-0.3328, -0.4613, 0.0829], "mean": -0.2371, "spread": 0.5442}, "at": 1789377030}, "tier": 1, "alerts": [], "total_sd": 1.764, "total_ci95": [43.119, 49.87], "relegate_reason": [], "submitted_at": 1789365365, "scored_at": 1789377030, "rank": 2390}, {"candidate_id": "ODC-4CFEF8", "res_at": 1786902508, "skeleton": "QIFRJFFPEPZUIV", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········nc2n1", "total": 46.549, "axes": {"activity": 18.69, "binding": 12.43, "selectivity": 4.78, "admet": 3.98, "novelty": 4.0, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 6.86, "LE": 0.376, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.92, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.745, "ld50-zhu": 0.388, "herg": 0.23, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.721294156978443, "aff_pf": -0.8640019694964091, "aff_hs": -0.09473234911759694, "repeats_pf": {"runs": 3, "values": [-0.7883, -0.8743, -0.9294], "mean": -0.864, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [-0.2916, 0.0347, -0.0273], "mean": -0.0947, "spread": 0.3264}, "at": 1786902508}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899508, "scored_at": 1786902508, "alerts": [], "rank": 2391}, {"candidate_id": "ODC-DB235D", "res_at": 1786934283, "skeleton": "ZOAATSYHBQCGPA", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 46.543, "axes": {"activity": 10.54, "binding": 14.6, "selectivity": 10.42, "admet": 5.12, "novelty": 2.67, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.232, "fraction": 0.351}, "binding": {"pIC50": 7.19, "LE": 0.379, "potency_term": 0.73, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.8, "selectivity_term": 0.714, "target_engagement": 0.73}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.539, "ld50-zhu": 0.395, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.232259028962803, "aff_pf": -1.1894853909810383, "aff_hs": 0.23860708872477213, "repeats_pf": {"runs": 3, "values": [-1.1657, -1.0776, -1.3252], "mean": -1.1895, "spread": 0.2477}, "repeats_hs": {"runs": 3, "values": [0.0328, 0.2605, 0.4225], "mean": 0.2386, "spread": 0.3897}, "at": 1786934283}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926455, "scored_at": 1786934283, "alerts": [], "rank": 2392}, {"candidate_id": "ODC-9DBA7A", "res_at": 1787491181, "skeleton": "ACSBTSCYFOFJBE", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-LMA20]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.538, "axes": {"activity": 19.26, "binding": 13.44, "selectivity": 3.7, "admet": 3.61, "novelty": 3.58, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.755, "fraction": 0.642}, "binding": {"pIC50": 7.02, "LE": 0.356, "potency_term": 0.672, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.275, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.518, "herg": 0.057, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.755339116188586, "aff_pf": -1.01628843943278, "aff_hs": -0.4656692296266556, "repeats_pf": {"runs": 3, "values": [-0.9638, -1.1604, -0.9246], "mean": -1.0163, "spread": 0.2358}, "repeats_hs": {"runs": 3, "values": [-0.7051, -0.1888, -0.5031], "mean": -0.4657, "spread": 0.5163}, "at": 1787491181}, "tier": 1, "relegate_reason": [], "submitted_at": 1787489667, "scored_at": 1787491181, "alerts": [], "rank": 2393}, {"candidate_id": "ODC-60651F", "res_at": 1788229274, "skeleton": "FZHWZEDYRVBNLL", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 46.508, "axes": {"activity": 11.95, "binding": 13.56, "selectivity": 10.17, "admet": 4.52, "novelty": 3.34, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.398}, "binding": {"pIC50": 7.03, "LE": 0.385, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.6, "selectivity_term": 0.75, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.823, "herg": 0.356, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.317050898654296, "aff_pf": -1.0343470573425293, "aff_hs": 0.46581555406252545, "repeats_pf": {"runs": 3, "values": [-1.0116, -1.0619, -1.0296], "mean": -1.0343, "spread": 0.0503}, "repeats_hs": {"runs": 3, "values": [0.4522, 0.4257, 0.5196], "mean": 0.4658, "spread": 0.094}, "at": 1788229274}, "tier": 1, "alerts": [], "total_sd": 0.331, "total_ci95": [45.841, 47.165], "relegate_reason": [], "submitted_at": 1788172763, "scored_at": 1788229274, "rank": 2394}, {"candidate_id": "ODC-33D80A", "res_at": 1786902324, "skeleton": "AOBZWHCQBIXXOF", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 46.504, "axes": {"activity": 10.89, "binding": 13.21, "selectivity": 11.19, "admet": 4.63, "novelty": 3.9, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 6.98, "LE": 0.398, "potency_term": 0.66, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.5, "selectivity_term": 0.847, "target_engagement": 0.66}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.635, "herg": 0.416, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 5.25321580007625, "aff_pf": -0.9809731642405192, "aff_hs": 0.7133668462435404, "repeats_pf": {"runs": 3, "values": [-0.96, -1.0203, -0.9626], "mean": -0.981, "spread": 0.0603}, "repeats_hs": {"runs": 3, "values": [0.723, 0.681, 0.736], "mean": 0.7134, "spread": 0.055}, "at": 1786902324}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899444, "scored_at": 1786902324, "alerts": [], "rank": 2395}, {"candidate_id": "ODC-C5E44B", "res_at": 1787119269, "skeleton": "XODVEGLKZDHFQP", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 46.483, "axes": {"activity": 18.2, "binding": 12.76, "selectivity": 5.32, "admet": 3.1, "novelty": 4.5, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.692, "fraction": 0.607}, "binding": {"pIC50": 7.07, "LE": 0.277, "potency_term": 0.691, "efficiency_cap": 0.923}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.602, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.753, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.6918011407725695, "aff_pf": -1.0742613474527996, "aff_hs": -0.3047195275624593, "repeats_pf": {"runs": 3, "values": [-1.019, -1.2351, -0.9687], "mean": -1.0743, "spread": 0.2664}, "repeats_hs": {"runs": 3, "values": [-0.4077, -0.1766, -0.3299], "mean": -0.3047, "spread": 0.2312}, "at": 1787119269}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101146, "scored_at": 1787119269, "alerts": [], "rank": 2396}, {"candidate_id": "ODC-AAEDD8", "res_at": 1789378805, "skeleton": "DJJDZNJCUNJUBJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.479, "axes": {"activity": 11.33, "binding": 15.02, "selectivity": 7.88, "admet": 5.18, "novelty": 3.81, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 7.25, "LE": 0.397, "potency_term": 0.751, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.525, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.829, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.062, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.280072353837951, "aff_pf": -1.2525868813196819, "aff_hs": -0.2033043553431829, "repeats_pf": {"runs": 3, "values": [-1.1938, -1.2719, -1.2921], "mean": -1.2526, "spread": 0.0984}, "repeats_hs": {"runs": 3, "values": [-0.243, -0.1986, -0.1683], "mean": -0.2033, "spread": 0.0746}, "at": 1789378805}, "tier": 1, "alerts": [], "total_sd": 0.56, "total_ci95": [45.586, 47.434], "relegate_reason": [], "submitted_at": 1789365516, "scored_at": 1789378805, "rank": 2397}, {"candidate_id": "ODC-A22EF1", "res_at": 1786945843, "skeleton": "QFSZOXGDMKPROD", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 46.463, "axes": {"activity": 13.85, "binding": 14.86, "selectivity": 7.15, "admet": 3.18, "novelty": 4.17, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 7.23, "LE": 0.381, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.481, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.596, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.533, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.4310268026800825, "aff_pf": -1.2293142875035603, "aff_hs": -0.26744243999322254, "repeats_pf": {"runs": 3, "values": [-1.2486, -1.1998, -1.2395], "mean": -1.2293, "spread": 0.0488}, "repeats_hs": {"runs": 3, "values": [-0.1729, -0.1649, -0.4646], "mean": -0.2674, "spread": 0.2997}, "at": 1786945843}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934293, "scored_at": 1786945843, "alerts": [], "rank": 2398}, {"candidate_id": "ODC-36A5D6", "res_at": 1789895362, "skeleton": "YWYGHGQKRLCXRP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.445, "axes": {"activity": 17.6, "binding": 14.08, "selectivity": 3.64, "admet": 4.41, "novelty": 3.86, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.656, "fraction": 0.587}, "binding": {"pIC50": 7.11, "LE": 0.348, "potency_term": 0.704, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.704}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.983, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.731, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.656217949575625, "aff_pf": -1.1126670042673747, "aff_hs": -0.5958389441172282, "repeats_pf": {"runs": 3, "values": [-1.0885, -1.1099, -1.1396], "mean": -1.1127, "spread": 0.0511}, "repeats_hs": {"runs": 3, "values": [-0.6004, -0.5567, -0.6304], "mean": -0.5958, "spread": 0.0737}, "at": 1789895362}, "tier": 1, "alerts": [], "total_sd": 0.265, "total_ci95": [45.946, 46.933], "relegate_reason": [], "submitted_at": 1789758063, "scored_at": 1789895362, "rank": 2399}, {"candidate_id": "ODC-24AE52", "res_at": 1786876066, "skeleton": "SFBIVAPGGJPQPG", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 46.439, "axes": {"activity": 15.33, "binding": 11.63, "selectivity": 10.33, "admet": 4.04, "novelty": 2.58, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.52, "fraction": 0.511}, "binding": {"pIC50": 6.74, "LE": 0.44, "potency_term": 0.581, "efficiency_cap": 1.0}, "selectivity": {"fold": 59.8, "selectivity_term": 0.888, "target_engagement": 0.581}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.394, "herg": 0.262, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.5200263662416145, "aff_pf": -0.7442986567815145, "aff_hs": 1.0320505897204082, "repeats_pf": {"runs": 3, "values": [-0.7812, -0.7012, -0.7504], "mean": -0.7443, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [1.0246, 0.9964, 1.0751], "mean": 1.0321, "spread": 0.0787}, "at": 1786876066}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867654, "scored_at": 1786876066, "alerts": [], "rank": 2400}, {"candidate_id": "ODC-04F937", "res_at": 1787559163, "skeleton": "ACNBAMYQAKDRNJ", "hf_user": "takutoyo", "display_name": "PfD16-12", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········2)n1C", "total": 46.424, "axes": {"activity": 20.24, "binding": 9.71, "selectivity": 7.3, "admet": 2.38, "novelty": 4.09, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.814, "fraction": 0.675}, "binding": {"pIC50": 6.48, "LE": 0.296, "potency_term": 0.492, "efficiency_cap": 0.986}, "selectivity": {"fold": 30.3, "selectivity_term": 0.741, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.814480429667495, "aff_pf": -0.47684721151987713, "aff_hs": 1.0051055550575256, "repeats_pf": {"runs": 3, "values": [-0.4294, -0.492, -0.5092], "mean": -0.4768, "spread": 0.0798}, "repeats_hs": {"runs": 3, "values": [1.0081, 0.9184, 1.0889], "mean": 1.0051, "spread": 0.1705}, "at": 1787559163}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544132, "scored_at": 1787559163, "alerts": [], "rank": 2401}, {"candidate_id": "ODC-C55AB5", "res_at": 1789997062, "skeleton": "HDXMSUURLOMXNI", "hf_user": "Bio-JS", "display_name": "0921-S1-18", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.413, "axes": {"activity": 14.1, "binding": 13.89, "selectivity": 7.8, "admet": 5.27, "novelty": 2.18, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.446, "fraction": 0.47}, "binding": {"pIC50": 7.08, "LE": 0.388, "potency_term": 0.694, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.694}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.429, "herg": 0.5, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.445854150241083, "aff_pf": -1.0831098953882854, "aff_hs": 0.04034247497717539, "repeats_pf": {"runs": 3, "values": [-1.0565, -1.0151, -1.1778], "mean": -1.0831, "spread": 0.1627}, "repeats_hs": {"runs": 3, "values": [0.054, -0.0372, 0.1042], "mean": 0.0403, "spread": 0.1415}, "at": 1789997062}, "tier": 1, "alerts": [], "total_sd": 0.921, "total_ci95": [44.788, 48.096], "relegate_reason": [], "submitted_at": 1789990278, "scored_at": 1789997062, "rank": 2402}, {"candidate_id": "ODC-2AD961", "res_at": 1788539428, "skeleton": "PBFXRNDAUVLMEQ", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 46.404, "axes": {"activity": 16.06, "binding": 12.92, "selectivity": 6.95, "admet": 4.31, "novelty": 3.01, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.535}, "binding": {"pIC50": 6.94, "LE": 0.396, "potency_term": 0.646, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.45, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.441, "herg": 0.063, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 5.563745548711085, "aff_pf": -0.9384052952130636, "aff_hs": 0.13656187057495117, "repeats_pf": {"runs": 3, "values": [-0.9602, -0.9055, -0.9495], "mean": -0.9384, "spread": 0.0547}, "repeats_hs": {"runs": 3, "values": [-0.0009, 0.173, 0.2376], "mean": 0.1366, "spread": 0.2385}, "at": 1788539428}, "tier": 1, "alerts": [], "total_sd": 0.484, "total_ci95": [45.493, 47.387], "relegate_reason": [], "submitted_at": 1788489609, "scored_at": 1788539428, "rank": 2403}, {"candidate_id": "ODC-621D4E", "res_at": 1788301899, "skeleton": "XFODKDOKXSFQGS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 46.396, "axes": {"activity": 19.24, "binding": 14.11, "selectivity": 1.87, "admet": 3.51, "novelty": 4.14, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.754, "fraction": 0.641}, "binding": {"pIC50": 7.39, "LE": 0.266, "potency_term": 0.795, "efficiency_cap": 0.888}, "selectivity": {"fold": 1.7, "selectivity_term": 0.117, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.822, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.326}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 5.754416406133846, "aff_pf": -1.3851008812586467, "aff_hs": -1.1501169602076213, "repeats_pf": {"runs": 3, "values": [-1.5242, -1.5084, -1.1227], "mean": -1.3851, "spread": 0.4015}, "repeats_hs": {"runs": 3, "values": [-1.0672, -1.2823, -1.1008], "mean": -1.1501, "spread": 0.2151}, "at": 1788301899}, "tier": 1, "alerts": [], "total_sd": 2.51, "total_ci95": [41.511, 50.13], "relegate_reason": [], "submitted_at": 1788275404, "scored_at": 1788301899, "rank": 2404}, {"candidate_id": "ODC-0C3CC7", "res_at": 1786910960, "skeleton": "LXHQMDZUPBEOOB", "hf_user": "1Dmeds", "display_name": "ODC26-R5C-C6F-tBu", "model_name": "ODC-2026-R5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.388, "axes": {"activity": 13.52, "binding": 13.76, "selectivity": 8.19, "admet": 3.79, "novelty": 4.06, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.451}, "binding": {"pIC50": 7.06, "LE": 0.387, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.338, "ld50-zhu": 0.493, "herg": 0.089, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.410904833722497, "aff_pf": -1.0643503665924072, "aff_hs": 0.1256376107533773, "repeats_pf": {"runs": 3, "values": [-1.096, -1.0331, -1.064], "mean": -1.0644, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [0.0251, 0.1091, 0.2427], "mean": 0.1256, "spread": 0.2176}, "at": 1786910960}, "tier": 1, "relegate_reason": [], "submitted_at": 1786902277, "scored_at": 1786910960, "alerts": [], "rank": 2405}, {"candidate_id": "ODC-DACC82", "res_at": 1788595468, "skeleton": "JSTFBZCVAJEVPM", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 46.386, "axes": {"activity": 17.41, "binding": 13.73, "selectivity": 4.14, "admet": 3.84, "novelty": 4.39, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.645, "fraction": 0.58}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.741, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.644754534388275, "aff_pf": -1.059429446856181, "aff_hs": -0.45669297377268475, "repeats_pf": {"runs": 3, "values": [-1.0265, -1.1018, -1.05], "mean": -1.0594, "spread": 0.0753}, "repeats_hs": {"runs": 3, "values": [-0.2364, -0.5713, -0.5624], "mean": -0.4567, "spread": 0.3349}, "at": 1788595468}, "tier": 1, "alerts": [], "total_sd": 0.732, "total_ci95": [45.106, 48.061], "relegate_reason": [], "submitted_at": 1788583594, "scored_at": 1788595468, "rank": 2406}, {"candidate_id": "ODC-777A96", "res_at": 1787260548, "skeleton": "QBAZFDCFXSSIRI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.378, "axes": {"activity": 20.85, "binding": 7.89, "selectivity": 6.75, "admet": 3.4, "novelty": 4.43, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.851, "fraction": 0.695}, "binding": {"pIC50": 6.45, "LE": 0.245, "potency_term": 0.482, "efficiency_cap": 0.818}, "selectivity": {"fold": 25.1, "selectivity_term": 0.7, "target_engagement": 0.482}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.97, "ld50-zhu": 0.612, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.851193301465283, "aff_pf": -0.4463810324668884, "aff_hs": 0.953766405582428, "repeats_pf": {"runs": 3, "values": [-0.4338, -0.4536, -0.4517], "mean": -0.4464, "spread": 0.0198}, "repeats_hs": {"runs": 3, "values": [0.8756, 0.9959, 0.9899], "mean": 0.9538, "spread": 0.1203}, "at": 1787260548}, "tier": 1, "relegate_reason": [], "submitted_at": 1787259971, "scored_at": 1787260548, "alerts": [], "rank": 2407}, {"candidate_id": "ODC-74ACA8", "res_at": 1788569034, "skeleton": "WVPJERNBWYKXKQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D02", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 46.376, "axes": {"activity": 13.46, "binding": 14.38, "selectivity": 5.95, "admet": 4.86, "novelty": 5.02, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.449}, "binding": {"pIC50": 7.17, "LE": 0.298, "potency_term": 0.724, "efficiency_cap": 0.993}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.625, "cyp3a4-substrate-carbonmangels": 0.062, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.106}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.407409514860834, "aff_pf": -1.1730472246805828, "aff_hs": -0.35165466864903766, "repeats_pf": {"runs": 3, "values": [-1.0873, -1.1031, -1.3287], "mean": -1.173, "spread": 0.2414}, "repeats_hs": {"runs": 3, "values": [-0.2439, -0.5159, -0.2951], "mean": -0.3517, "spread": 0.272}, "at": 1788569034}, "tier": 1, "alerts": [], "total_sd": 1.808, "total_ci95": [43.672, 50.289], "relegate_reason": [], "submitted_at": 1788555329, "scored_at": 1788569034, "rank": 2408}, {"candidate_id": "ODC-291FF3", "res_at": 1789179484, "skeleton": "KOXSZCNGJDLDIS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.376, "axes": {"activity": 14.63, "binding": 14.33, "selectivity": 7.45, "admet": 4.16, "novelty": 2.77, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 7.15, "LE": 0.392, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.52, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.477659667030213, "aff_pf": -1.149881919225057, "aff_hs": -0.1099865088860194, "repeats_pf": {"runs": 3, "values": [-1.2045, -1.1121, -1.133], "mean": -1.1499, "spread": 0.0924}, "repeats_hs": {"runs": 3, "values": [-0.1536, -0.099, -0.0773], "mean": -0.11, "spread": 0.0763}, "at": 1789179484}, "tier": 1, "alerts": [], "total_sd": 0.508, "total_ci95": [45.545, 47.397], "relegate_reason": [], "submitted_at": 1789174160, "scored_at": 1789179484, "rank": 2409}, {"candidate_id": "ODC-D7F0EE", "res_at": 1788537655, "skeleton": "KSFBMPFOTWUHKP", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 46.369, "axes": {"activity": 12.14, "binding": 14.32, "selectivity": 8.77, "admet": 4.73, "novelty": 3.18, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 7.15, "LE": 0.408, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.612, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.62, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.447, "ld50-zhu": 0.478, "herg": 0.254, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.328660739721103, "aff_pf": -1.1477214495340984, "aff_hs": 0.07672055562337239, "repeats_pf": {"runs": 3, "values": [-1.1298, -1.1825, -1.1309], "mean": -1.1477, "spread": 0.0527}, "repeats_hs": {"runs": 3, "values": [0.0948, 0.0861, 0.0492], "mean": 0.0767, "spread": 0.0456}, "at": 1788537655}, "tier": 1, "alerts": [], "total_sd": 0.326, "total_ci95": [45.865, 47.244], "relegate_reason": [], "submitted_at": 1788489558, "scored_at": 1788537655, "rank": 2410}, {"candidate_id": "ODC-A974BB", "res_at": 1787042085, "skeleton": "ZBXYYENWWLHKES", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 46.368, "axes": {"activity": 16.37, "binding": 13.87, "selectivity": 5.54, "admet": 3.96, "novelty": 3.8, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.582, "fraction": 0.546}, "binding": {"pIC50": 7.08, "LE": 0.404, "potency_term": 0.693, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.62, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.316, "ld50-zhu": 0.647, "herg": 0.211, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.582246910785819, "aff_pf": -1.0804396470387776, "aff_hs": -0.2808986008167267, "repeats_pf": {"runs": 3, "values": [-1.0765, -1.0796, -1.0852], "mean": -1.0804, "spread": 0.0087}, "repeats_hs": {"runs": 3, "values": [-0.407, -0.2416, -0.1941], "mean": -0.2809, "spread": 0.213}, "at": 1787042085}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038307, "scored_at": 1787042085, "alerts": [], "rank": 2411}, {"candidate_id": "ODC-ECC917", "res_at": 1786878955, "skeleton": "NHFMSOVKYPIVDP", "hf_user": "sunglee", "display_name": "semantic-os head-CF2Cl probe)", "model_name": "glm-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.363, "axes": {"activity": 13.23, "binding": 12.44, "selectivity": 11.36, "admet": 4.23, "novelty": 2.29, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 6.87, "LE": 0.409, "potency_term": 0.622, "efficiency_cap": 1.0}, "selectivity": {"fold": 67.1, "selectivity_term": 0.913, "target_engagement": 0.622}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.118, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.363, "herg": 0.595, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.393980084277862, "aff_pf": -0.8664025465647379, "aff_hs": 0.960231602191925, "repeats_pf": {"runs": 3, "values": [-0.8668, -0.9077, -0.8247], "mean": -0.8664, "spread": 0.083}, "repeats_hs": {"runs": 3, "values": [1.0137, 0.9613, 0.9057], "mean": 0.9602, "spread": 0.108}, "at": 1786878955}, "tier": 1, "relegate_reason": [], "submitted_at": 1786873256, "scored_at": 1786878955, "alerts": [], "rank": 2412}, {"candidate_id": "ODC-23EFC7", "res_at": 1788173259, "skeleton": "QEEFCOWIPLSEJY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 46.362, "axes": {"activity": 16.0, "binding": 13.26, "selectivity": 5.85, "admet": 5.65, "novelty": 2.87, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.533}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.663, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.442, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.568, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.632, "cyp3a4-substrate-carbonmangels": 0.269, "ld50-zhu": 0.674, "herg": 0.392, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.567, "novelty": 0.433}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.560173006473556, "aff_pf": -0.9884312947591146, "aff_hs": -0.10538924237092336, "repeats_pf": {"runs": 3, "values": [-0.991, -0.9354, -1.0389], "mean": -0.9884, "spread": 0.1036}, "repeats_hs": {"runs": 3, "values": [-0.1328, -0.0221, -0.1612], "mean": -0.1054, "spread": 0.139}, "at": 1788173259}, "tier": 1, "alerts": [], "total_sd": 0.604, "total_ci95": [45.21, 47.434], "relegate_reason": [], "submitted_at": 1788172732, "scored_at": 1788173259, "rank": 2413}, {"candidate_id": "ODC-1825DA", "res_at": 1789265828, "skeleton": "VUFHOSGQVLANSH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.361, "axes": {"activity": 11.74, "binding": 14.41, "selectivity": 8.85, "admet": 4.12, "novelty": 3.94, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.304, "fraction": 0.391}, "binding": {"pIC50": 7.16, "LE": 0.392, "potency_term": 0.721, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.614, "target_engagement": 0.721}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.543, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.304183425334736, "aff_pf": -1.1616981029510498, "aff_hs": 0.06659146149953206, "repeats_pf": {"runs": 3, "values": [-1.1863, -1.1582, -1.1406], "mean": -1.1617, "spread": 0.0457}, "repeats_hs": {"runs": 3, "values": [0.0309, -0.1183, 0.2872], "mean": 0.0666, "spread": 0.4055}, "at": 1789265828}, "tier": 1, "alerts": [], "total_sd": 0.723, "total_ci95": [45.174, 47.867], "relegate_reason": [], "submitted_at": 1789263167, "scored_at": 1789265828, "rank": 2414}, {"candidate_id": "ODC-9B024E", "res_at": 1787041894, "skeleton": "BQFQVEADMRFOJI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 46.36, "axes": {"activity": 12.48, "binding": 14.84, "selectivity": 7.28, "admet": 5.28, "novelty": 3.51, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 7.23, "LE": 0.396, "potency_term": 0.742, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.49, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.742, "ld50-zhu": 0.585, "herg": 0.171, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.348991997589649, "aff_pf": -1.226595163345337, "aff_hs": -0.24626337985197702, "repeats_pf": {"runs": 3, "values": [-1.2041, -1.1995, -1.2761], "mean": -1.2266, "spread": 0.0766}, "repeats_hs": {"runs": 3, "values": [-0.2541, -0.2412, -0.2435], "mean": -0.2463, "spread": 0.013}, "at": 1787041894}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038302, "scored_at": 1787041894, "alerts": [], "rank": 2415}, {"candidate_id": "ODC-AFFEAA", "res_at": 1787042845, "skeleton": "RCNAVSUEZFSTFZ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 46.358, "axes": {"activity": 13.16, "binding": 12.69, "selectivity": 10.28, "admet": 4.06, "novelty": 3.55, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 6.9, "LE": 0.43, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.7, "selectivity_term": 0.81, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.085, "ld50-zhu": 0.501, "herg": 0.245, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.389567221918251, "aff_pf": -0.902775764465332, "aff_hs": 0.7172695994377136, "repeats_pf": {"runs": 3, "values": [-0.881, -0.9059, -0.9214], "mean": -0.9028, "spread": 0.0403}, "repeats_hs": {"runs": 3, "values": [0.6995, 0.6639, 0.7884], "mean": 0.7173, "spread": 0.1245}, "at": 1787042845}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038327, "scored_at": 1787042845, "alerts": [], "rank": 2416}, {"candidate_id": "ODC-7095BB", "res_at": 1789100260, "skeleton": "QIMWUDZLCZRCPE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.357, "axes": {"activity": 17.02, "binding": 12.99, "selectivity": 6.11, "admet": 5.04, "novelty": 2.16, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.621, "fraction": 0.567}, "binding": {"pIC50": 6.95, "LE": 0.414, "potency_term": 0.649, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.471, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.665, "cyp3a4-substrate-carbonmangels": 0.197, "ld50-zhu": 0.373, "herg": 0.6, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.620985942369263, "aff_pf": -0.9480969707171122, "aff_hs": -0.00665968656539917, "repeats_pf": {"runs": 3, "values": [-0.977, -0.8458, -1.0215], "mean": -0.9481, "spread": 0.1757}, "repeats_hs": {"runs": 3, "values": [-0.0042, -0.0488, 0.0331], "mean": -0.0067, "spread": 0.0819}, "at": 1789100260}, "tier": 1, "alerts": [], "total_sd": 0.877, "total_ci95": [45.013, 47.873], "relegate_reason": [], "submitted_at": 1789092959, "scored_at": 1789100260, "rank": 2417}, {"candidate_id": "ODC-10167C", "res_at": 1787381705, "skeleton": "XNTGDWKJHUVKGR", "hf_user": "Ku-ku", "display_name": "Y2_arm_4Br3F", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········nc2n1", "total": 46.343, "axes": {"activity": 21.44, "binding": 8.25, "selectivity": 5.68, "admet": 2.76, "novelty": 5.03, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.886, "fraction": 0.715}, "binding": {"pIC50": 6.36, "LE": 0.272, "potency_term": 0.454, "efficiency_cap": 0.908}, "selectivity": {"fold": 17.8, "selectivity_term": 0.625, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.106, "caco2-wang": 0.467, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.534, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.8864964141333935, "aff_pf": -0.3631739517052968, "aff_hs": 0.8865889310836792, "repeats_pf": {"runs": 3, "values": [-0.3264, -0.383, -0.3801], "mean": -0.3632, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [0.8396, 0.7651, 1.0551], "mean": 0.8866, "spread": 0.29}, "at": 1787381705}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381474, "scored_at": 1787381705, "alerts": [], "rank": 2418}, {"candidate_id": "ODC-553570", "res_at": 1788237633, "skeleton": "LAGYPLWWQWEZFU", "hf_user": "Bio-JS", "display_name": "0901-S1 팔 싸이아졸리딘 S-옥사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.341, "axes": {"activity": 19.08, "binding": 12.45, "selectivity": 5.76, "admet": 2.61, "novelty": 4.32, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.745, "fraction": 0.636}, "binding": {"pIC50": 6.99, "LE": 0.282, "potency_term": 0.663, "efficiency_cap": 0.939}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.356, "herg": 0.05, "dili": 0.146}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.744649628322301, "aff_pf": -0.9897961616516113, "aff_hs": -0.12183922032515208, "repeats_pf": {"runs": 3, "values": [-1.1185, -0.9528, -0.8981], "mean": -0.9898, "spread": 0.2205}, "repeats_hs": {"runs": 3, "values": [-0.0622, -0.2152, -0.0881], "mean": -0.1218, "spread": 0.153}, "at": 1788237633}, "tier": 1, "alerts": [], "total_sd": 1.14, "total_ci95": [44.747, 49.291], "relegate_reason": [], "submitted_at": 1788222354, "scored_at": 1788237633, "rank": 2419}, {"candidate_id": "ODC-1F12BD", "res_at": 1786836649, "skeleton": "OWIWONGMWRFGLV", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.334, "axes": {"activity": 16.75, "binding": 14.6, "selectivity": 1.41, "admet": 5.9, "novelty": 4.24, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.605, "fraction": 0.558}, "binding": {"pIC50": 7.19, "LE": 0.41, "potency_term": 0.73, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.096, "target_engagement": 0.73}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.89, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.508, "herg": 0.326, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "1", "pAct_q10": 5.605197350554312, "aff_pf": -1.189863681793213, "aff_hs": -0.9970947702725729, "repeats_pf": {"runs": 3, "values": [-1.2202, -1.1545, -1.1948], "mean": -1.1899, "spread": 0.0657}, "repeats_hs": {"runs": 3, "values": [-0.9998, -0.998, -0.9935], "mean": -0.9971, "spread": 0.0064}, "at": 1786836649}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804206, "scored_at": 1786836649, "alerts": [], "rank": 2420}, {"candidate_id": "ODC-876687", "res_at": 1788148226, "skeleton": "ONIXUGDGPPYJNK", "hf_user": "Bio-JS", "display_name": "P3 아닐린 고리 아자치환(피리딘)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.323, "axes": {"activity": 19.17, "binding": 11.14, "selectivity": 4.68, "admet": 5.27, "novelty": 3.41, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.75, "fraction": 0.639}, "binding": {"pIC50": 6.67, "LE": 0.397, "potency_term": 0.557, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.557}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.723, "cyp3a4-substrate-carbonmangels": 0.628, "ld50-zhu": 0.382, "herg": 0.594, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.750228305048026, "aff_pf": -0.6716224352518717, "aff_hs": 0.16770497957865396, "repeats_pf": {"runs": 3, "values": [-0.6813, -0.6194, -0.7142], "mean": -0.6716, "spread": 0.0948}, "repeats_hs": {"runs": 3, "values": [0.2973, -0.1725, 0.3784], "mean": 0.1677, "spread": 0.5509}, "at": 1788148226}, "tier": 1, "alerts": [], "total_sd": 0.865, "total_ci95": [44.556, 47.845], "relegate_reason": [], "submitted_at": 1788139348, "scored_at": 1788148226, "rank": 2421}, {"candidate_id": "ODC-227437", "res_at": 1787015914, "skeleton": "BKFUGEVTJULCKI", "hf_user": "takutoyo", "display_name": "PfD4-06", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.32, "axes": {"activity": 18.86, "binding": 14.15, "selectivity": 3.63, "admet": 3.43, "novelty": 3.42, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.731, "fraction": 0.629}, "binding": {"pIC50": 7.12, "LE": 0.325, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.257, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.81, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.945, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.731390360159413, "aff_pf": -1.1224347352981567, "aff_hs": -0.6089273691177368, "repeats_pf": {"runs": 3, "values": [-1.1531, -1.1242, -1.0901], "mean": -1.1224, "spread": 0.063}, "repeats_hs": {"runs": 3, "values": [-0.5156, -0.7713, -0.5399], "mean": -0.6089, "spread": 0.2556}, "at": 1787015914}, "tier": 1, "relegate_reason": [], "submitted_at": 1787015711, "scored_at": 1787015914, "alerts": [], "rank": 2422}, {"candidate_id": "ODC-D89837", "res_at": 1787871820, "skeleton": "UOEQIVCFSADUNS", "hf_user": "Bio-JS", "display_name": "가지: 사이아노 (직결)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 46.317, "axes": {"activity": 16.42, "binding": 13.04, "selectivity": 7.17, "admet": 2.64, "novelty": 4.46, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.585, "fraction": 0.547}, "binding": {"pIC50": 7.2, "LE": 0.267, "potency_term": 0.734, "efficiency_cap": 0.889}, "selectivity": {"fold": 9.5, "selectivity_term": 0.489, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.279, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.103, "ld50-zhu": 0.435, "herg": 0.05, "dili": 0.204}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.585277762898616, "aff_pf": -1.2014002402623494, "aff_hs": -0.22422862549622855, "repeats_pf": {"runs": 3, "values": [-1.2366, -1.1763, -1.1913], "mean": -1.2014, "spread": 0.0603}, "repeats_hs": {"runs": 3, "values": [-0.181, -0.2524, -0.2393], "mean": -0.2242, "spread": 0.0714}, "at": 1787847241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795830, "scored_at": 1787847241, "alerts": [], "rank": 2423}, {"candidate_id": "ODC-7CF811", "res_at": 1790024206, "skeleton": "NVYOJEORAWQZSG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.315, "axes": {"activity": 15.89, "binding": 14.06, "selectivity": 5.72, "admet": 3.81, "novelty": 3.91, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 7.11, "LE": 0.406, "potency_term": 0.703, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.293, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.136, "ld50-zhu": 0.61, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.553669142553033, "aff_pf": -1.1092328627904255, "aff_hs": -0.29522909720738727, "repeats_pf": {"runs": 3, "values": [-1.1626, -1.0261, -1.139], "mean": -1.1092, "spread": 0.1365}, "repeats_hs": {"runs": 3, "values": [-0.2287, -0.1938, -0.4632], "mean": -0.2952, "spread": 0.2693}, "at": 1790024206}, "tier": 1, "alerts": [], "total_sd": 0.964, "total_ci95": [44.352, 47.943], "relegate_reason": [], "submitted_at": 1790009114, "scored_at": 1790024206, "rank": 2424}, {"candidate_id": "ODC-66B854", "res_at": 1789440924, "skeleton": "UZJNTDQMHRCNNQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCSc1nc··········)n2n1", "total": 46.31, "axes": {"activity": 8.99, "binding": 17.43, "selectivity": 5.95, "admet": 5.15, "novelty": 5.41, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.139, "fraction": 0.3}, "binding": {"pIC50": 7.61, "LE": 0.401, "potency_term": 0.871, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.871}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.515, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.139257377524521, "aff_pf": -1.614086627960205, "aff_hs": -0.9306999643643697, "repeats_pf": {"runs": 3, "values": [-1.6292, -1.5697, -1.6434], "mean": -1.6141, "spread": 0.0737}, "repeats_hs": {"runs": 3, "values": [-0.8362, -0.9519, -1.004], "mean": -0.9307, "spread": 0.1678}, "at": 1789440924}, "tier": 1, "alerts": [], "total_sd": 0.525, "total_ci95": [45.222, 47.259], "relegate_reason": [], "submitted_at": 1789435947, "scored_at": 1789440924, "rank": 2425}, {"candidate_id": "ODC-0CD389", "res_at": 1788328998, "skeleton": "VABURAGYDNIZHO", "hf_user": "Bio-JS", "display_name": "0902C-S1-EB3", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)COC1", "total": 46.297, "axes": {"activity": 17.04, "binding": 12.12, "selectivity": 7.97, "admet": 2.5, "novelty": 4.28, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 7.08, "LE": 0.262, "potency_term": 0.693, "efficiency_cap": 0.874}, "selectivity": {"fold": 14.1, "selectivity_term": 0.574, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.127, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.622537358665176, "aff_pf": -1.0803370475769043, "aff_hs": 0.06842844188213348, "repeats_pf": {"runs": 3, "values": [-1.2825, -0.9333, -1.0252], "mean": -1.0803, "spread": 0.3492}, "repeats_hs": {"runs": 3, "values": [0.0351, 0.1768, -0.0066], "mean": 0.0684, "spread": 0.1835}, "at": 1788328998}, "tier": 1, "alerts": [], "total_sd": 1.976, "total_ci95": [43.249, 50.986], "relegate_reason": [], "submitted_at": 1788327301, "scored_at": 1788328998, "rank": 2426}, {"candidate_id": "ODC-421444", "res_at": 1786925732, "skeleton": "OABZKODGFNKFMN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.294, "axes": {"activity": 15.04, "binding": 13.2, "selectivity": 6.55, "admet": 4.53, "novelty": 4.2, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 6.98, "LE": 0.416, "potency_term": 0.66, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.66}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.418, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.479, "herg": 0.334, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "1", "pAct_q10": 5.502373890257257, "aff_pf": -0.9799660841623942, "aff_hs": 0.012685673932234446, "repeats_pf": {"runs": 3, "values": [-0.8938, -1.0379, -1.0082], "mean": -0.98, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [0.1314, -0.023, -0.0704], "mean": 0.0127, "spread": 0.2017}, "at": 1786925732}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923267, "scored_at": 1786925732, "alerts": [], "rank": 2427}, {"candidate_id": "ODC-DF91EB", "res_at": 1787152851, "skeleton": "JIQVWSPUUILABV", "hf_user": "Ku-ku", "display_name": "M08_SEt_4Br", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.284, "axes": {"activity": 14.64, "binding": 13.14, "selectivity": 7.81, "admet": 4.71, "novelty": 2.71, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 6.97, "LE": 0.455, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.594, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.64, "ld50-zhu": 0.264, "herg": 0.357, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.588, "novelty": 0.412}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 5.47815671150101, "aff_pf": -0.9708311756451925, "aff_hs": 0.2181509385506312, "repeats_pf": {"runs": 3, "values": [-0.9524, -0.9518, -1.0083], "mean": -0.9708, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [0.1854, 0.3048, 0.1642], "mean": 0.2182, "spread": 0.1406}, "at": 1787152851}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148027, "scored_at": 1787152851, "alerts": [], "rank": 2428}, {"candidate_id": "ODC-F679F1", "res_at": 1789004111, "skeleton": "OICOADIWARBDSJ", "hf_user": "Bio-JS", "display_name": "0910b-S1-07", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 46.26, "axes": {"activity": 11.47, "binding": 12.81, "selectivity": 10.62, "admet": 5.5, "novelty": 3.1, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 6.92, "LE": 0.395, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.5, "selectivity_term": 0.829, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.699, "cyp3a4-substrate-carbonmangels": 0.431, "ld50-zhu": 0.375, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.288363490664481, "aff_pf": -0.9218557874361674, "aff_hs": 0.7359448075294495, "repeats_pf": {"runs": 3, "values": [-0.8968, -0.9908, -0.878], "mean": -0.9219, "spread": 0.1127}, "repeats_hs": {"runs": 3, "values": [0.5062, 0.912, 0.7896], "mean": 0.7359, "spread": 0.4059}, "at": 1789004111}, "tier": 1, "alerts": [], "total_sd": 0.899, "total_ci95": [44.6, 47.965], "relegate_reason": [], "submitted_at": 1789001567, "scored_at": 1789004111, "rank": 2429}, {"candidate_id": "ODC-5C1CBF", "res_at": 1786899008, "skeleton": "SZCCHXQQNBQHPC", "hf_user": "choa712", "display_name": "LUCY-L8-03", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 46.238, "axes": {"activity": 17.39, "binding": 11.38, "selectivity": 8.07, "admet": 3.74, "novelty": 3.23, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 6.71, "LE": 0.383, "potency_term": 0.569, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.3, "selectivity_term": 0.71, "target_engagement": 0.569}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.863, "ld50-zhu": 0.382, "herg": 0.562, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.643639894473538, "aff_pf": -0.7065093119939169, "aff_hs": 0.7130508820215861, "repeats_pf": {"runs": 3, "values": [-0.7026, -0.7193, -0.6976], "mean": -0.7065, "spread": 0.0217}, "repeats_hs": {"runs": 3, "values": [0.7516, 0.7961, 0.5914], "mean": 0.7131, "spread": 0.2046}, "at": 1786899008}, "tier": 1, "relegate_reason": [], "submitted_at": 1786894567, "scored_at": 1786899008, "alerts": [], "rank": 2430}, {"candidate_id": "ODC-4500A8", "res_at": 1787732167, "skeleton": "IGCKMHXDKMFRCV", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5F-YF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 46.206, "axes": {"activity": 30.0, "binding": 1.12, "selectivity": 0.0, "admet": 4.01, "novelty": 6.98, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.405, "fraction": 1.0}, "binding": {"pIC50": 5.23, "LE": 0.217, "potency_term": 0.078, "efficiency_cap": 0.724}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.405066236022193, "aff_pf": 0.7674947381019592, "aff_hs": -0.004532823959986369, "repeats_pf": {"runs": 3, "values": [0.6114, 0.8706, 0.8205], "mean": 0.7675, "spread": 0.2592}, "repeats_hs": {"runs": 3, "values": [-0.3134, 0.0368, 0.263], "mean": -0.0045, "spread": 0.5764}, "at": 1787732167}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728375, "scored_at": 1787732167, "alerts": [], "rank": 2431}, {"candidate_id": "ODC-7A35E7", "res_at": 1788770638, "skeleton": "UUPNZWGMBMWMBF", "hf_user": "Bio-JS", "display_name": "0906-S1-17 SMe/CN/R6-H/p-SMe/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.189, "axes": {"activity": 14.59, "binding": 13.15, "selectivity": 8.69, "admet": 3.9, "novelty": 3.05, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 6.97, "LE": 0.415, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.46, "herg": 0.496, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.475294379335621, "aff_pf": -0.9725560744603475, "aff_hs": 0.34871124227841693, "repeats_pf": {"runs": 3, "values": [-0.931, -0.988, -0.9987], "mean": -0.9726, "spread": 0.0677}, "repeats_hs": {"runs": 3, "values": [0.2122, 0.4608, 0.3731], "mean": 0.3487, "spread": 0.2487}, "at": 1788770638}, "tier": 1, "alerts": [], "total_sd": 0.575, "total_ci95": [44.911, 47.252], "relegate_reason": [], "submitted_at": 1788666014, "scored_at": 1788770638, "rank": 2432}, {"candidate_id": "ODC-E0B1B8", "res_at": 1789054449, "skeleton": "TXLPBMJKJBRKAE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 46.161, "axes": {"activity": 13.74, "binding": 13.71, "selectivity": 7.77, "admet": 5.26, "novelty": 2.59, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 7.06, "LE": 0.403, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.6, "selectivity_term": 0.567, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.928, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.372, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.369, "herg": 0.597, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.42434572868614, "aff_pf": -1.056618054707845, "aff_hs": 0.0774964839220047, "repeats_pf": {"runs": 3, "values": [-1.0578, -1.0384, -1.0737], "mean": -1.0566, "spread": 0.0354}, "repeats_hs": {"runs": 3, "values": [-0.0961, 0.0814, 0.2471], "mean": 0.0775, "spread": 0.3432}, "at": 1789054449}, "tier": 1, "alerts": [], "total_sd": 0.551, "total_ci95": [45.233, 47.324], "relegate_reason": [], "submitted_at": 1789041098, "scored_at": 1789054449, "rank": 2433}, {"candidate_id": "ODC-7BB7AF", "res_at": 1789267930, "skeleton": "TTYIGUKQARQBCJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.144, "axes": {"activity": 13.94, "binding": 14.41, "selectivity": 6.08, "admet": 4.85, "novelty": 3.6, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 7.16, "LE": 0.392, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.834, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.497, "herg": 0.102, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.436640442763816, "aff_pf": -1.1608740886052449, "aff_hs": -0.31739110375444096, "repeats_pf": {"runs": 3, "values": [-1.2596, -1.0714, -1.1516], "mean": -1.1609, "spread": 0.1883}, "repeats_hs": {"runs": 3, "values": [0.0076, -0.4369, -0.5229], "mean": -0.3174, "spread": 0.5305}, "at": 1789267930}, "tier": 1, "alerts": [], "total_sd": 1.491, "total_ci95": [43.734, 49.691], "relegate_reason": [], "submitted_at": 1789263625, "scored_at": 1789267930, "rank": 2434}, {"candidate_id": "ODC-A819AE", "res_at": 1787047852, "skeleton": "KTXTUCSGHLVNGO", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M5", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 46.133, "axes": {"activity": 11.87, "binding": 12.91, "selectivity": 10.12, "admet": 5.32, "novelty": 3.0, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 6.94, "LE": 0.432, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.0, "selectivity_term": 0.784, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.562, "cyp3a4-substrate-carbonmangels": 0.525, "ld50-zhu": 0.409, "herg": 0.712, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.312115372047915, "aff_pf": -0.93621693054835, "aff_hs": 0.6324511965115865, "repeats_pf": {"runs": 3, "values": [-0.8894, -0.9699, -0.9493], "mean": -0.9362, "spread": 0.0805}, "repeats_hs": {"runs": 3, "values": [0.6247, 0.6745, 0.5982], "mean": 0.6325, "spread": 0.0763}, "at": 1787047852}, "tier": 1, "relegate_reason": [], "submitted_at": 1787041275, "scored_at": 1787047852, "alerts": [], "rank": 2435}, {"candidate_id": "ODC-4F3A40", "res_at": 1786984752, "skeleton": "YJXXMMAEOJOWQG", "hf_user": "takutoyo", "display_name": "PfD4-02", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.124, "axes": {"activity": 13.26, "binding": 15.09, "selectivity": 6.87, "admet": 4.18, "novelty": 3.57, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.396, "fraction": 0.442}, "binding": {"pIC50": 7.26, "LE": 0.383, "potency_term": 0.754, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.456, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.8, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.875, "ld50-zhu": 0.561, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.39577286001478, "aff_pf": -1.2633227507273357, "aff_hs": -0.35209481914838153, "repeats_pf": {"runs": 3, "values": [-1.29, -1.2918, -1.2082], "mean": -1.2633, "spread": 0.0836}, "repeats_hs": {"runs": 3, "values": [-0.3363, -0.1756, -0.5444], "mean": -0.3521, "spread": 0.3688}, "at": 1786984752}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980117, "scored_at": 1786984752, "alerts": [], "rank": 2436}, {"candidate_id": "ODC-9E8815", "res_at": 1786892588, "skeleton": "CRWLREOYSQFPGS", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.106, "axes": {"activity": 14.71, "binding": 12.37, "selectivity": 9.64, "admet": 3.3, "novelty": 3.76, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.483, "fraction": 0.49}, "binding": {"pIC50": 6.86, "LE": 0.376, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.2, "selectivity_term": 0.779, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.062, "ld50-zhu": 0.447, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "2", "pAct_q10": 5.482776663631516, "aff_pf": -0.8555486996968588, "aff_hs": 0.7030243078867594, "repeats_pf": {"runs": 3, "values": [-0.8135, -0.9016, -0.8516], "mean": -0.8555, "spread": 0.0881}, "repeats_hs": {"runs": 3, "values": [0.4564, 0.742, 0.9107], "mean": 0.703, "spread": 0.4542}, "at": 1786892588}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884936, "scored_at": 1786892588, "alerts": [], "rank": 2437}, {"candidate_id": "ODC-AFFA32", "res_at": 1787728943, "skeleton": "ZOCYHDRGJHHQGD", "hf_user": "Moonweave", "display_name": "M5AI-P12-OM-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C)c1F", "total": 46.106, "axes": {"activity": 17.3, "binding": 13.22, "selectivity": 6.02, "admet": 2.59, "novelty": 3.94, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.638, "fraction": 0.577}, "binding": {"pIC50": 6.98, "LE": 0.309, "potency_term": 0.661, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.455, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.185, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.637785533925116, "aff_pf": -0.9837388594945272, "aff_hs": -0.07346424957116444, "repeats_pf": {"runs": 3, "values": [-0.977, -1.081, -0.8932], "mean": -0.9837, "spread": 0.1878}, "repeats_hs": {"runs": 3, "values": [-0.0508, -0.0817, -0.0879], "mean": -0.0735, "spread": 0.0371}, "at": 1787728943}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726086, "scored_at": 1787728943, "alerts": [], "rank": 2438}, {"candidate_id": "ODC-15574B", "res_at": 1787734348, "skeleton": "YZMZDOIKLGFCEY", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5CN-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 46.103, "axes": {"activity": 27.82, "binding": 4.17, "selectivity": 0.05, "admet": 3.96, "novelty": 6.4, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.269, "fraction": 0.927}, "binding": {"pIC50": 5.8, "LE": 0.234, "potency_term": 0.267, "efficiency_cap": 0.779}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.267}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.39, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.708, "herg": 0.145, "dili": 0.125}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.269040533727978, "aff_pf": 0.19822736581166586, "aff_hs": 0.21600319941838583, "repeats_pf": {"runs": 3, "values": [0.7162, 0.7792, -0.9007], "mean": 0.1982, "spread": 1.6799}, "repeats_hs": {"runs": 3, "values": [0.0866, 0.3476, 0.2138], "mean": 0.216, "spread": 0.2609}, "at": 1787734348}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728435, "scored_at": 1787734348, "alerts": [], "rank": 2439}, {"candidate_id": "ODC-F1DC16", "res_at": 1788537148, "skeleton": "LKFPKWASLOFMTN", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.103, "axes": {"activity": 14.12, "binding": 13.29, "selectivity": 8.9, "admet": 4.51, "novelty": 2.09, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.471}, "binding": {"pIC50": 6.99, "LE": 0.436, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.8, "selectivity_term": 0.67, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.359, "herg": 0.684, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.447458457126913, "aff_pf": -0.993790864944458, "aff_hs": 0.34542521834373474, "repeats_pf": {"runs": 3, "values": [-0.9853, -1.0032, -0.9929], "mean": -0.9938, "spread": 0.0179}, "repeats_hs": {"runs": 3, "values": [0.3279, 0.2955, 0.4129], "mean": 0.3454, "spread": 0.1173}, "at": 1788537148}, "tier": 1, "alerts": [], "total_sd": 0.203, "total_ci95": [45.709, 46.5], "relegate_reason": [], "submitted_at": 1788495772, "scored_at": 1788537148, "rank": 2440}, {"candidate_id": "ODC-E86850", "res_at": 1787922931, "skeleton": "YVQXELZBTITUIH", "hf_user": "Bio-JS", "display_name": "K7 코어2-OMe x 옥세탄 (전자주개·극성)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cnc12", "total": 46.098, "axes": {"activity": 19.41, "binding": 10.75, "selectivity": 6.04, "admet": 2.81, "novelty": 4.4, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.764, "fraction": 0.647}, "binding": {"pIC50": 6.9, "LE": 0.255, "potency_term": 0.632, "efficiency_cap": 0.851}, "selectivity": {"fold": 9.1, "selectivity_term": 0.478, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.464, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.764319807241771, "aff_pf": -0.8950719436009725, "aff_hs": 0.06160228947798411, "repeats_pf": {"runs": 3, "values": [-0.9627, -0.84, -0.8824], "mean": -0.8951, "spread": 0.1227}, "repeats_hs": {"runs": 3, "values": [-0.1061, 0.0518, 0.2391], "mean": 0.0616, "spread": 0.3452}, "at": 1787922931}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898926, "scored_at": 1787922931, "alerts": [], "rank": 2441}, {"candidate_id": "ODC-3CA667", "res_at": 1787243844, "skeleton": "WTUGGAZJIOBKJJ", "hf_user": "1Dmeds", "display_name": "ODC26-R15-02", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 46.093, "axes": {"activity": 19.5, "binding": 11.91, "selectivity": 4.85, "admet": 2.57, "novelty": 4.39, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.77, "fraction": 0.65}, "binding": {"pIC50": 6.79, "LE": 0.321, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.101, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.543, "herg": 0.073, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.770135902123684, "aff_pf": -0.7864381472269694, "aff_hs": 0.027843010922273, "repeats_pf": {"runs": 3, "values": [-0.7758, -0.7857, -0.7978], "mean": -0.7864, "spread": 0.022}, "repeats_hs": {"runs": 3, "values": [0.077, 0.0006, 0.0059], "mean": 0.0278, "spread": 0.0763}, "at": 1787243844}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238519, "scored_at": 1787243844, "alerts": [], "rank": 2442}, {"candidate_id": "ODC-88F5AC", "res_at": 1788967419, "skeleton": "GUSVTYDJVBAYRC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········)cc1F", "total": 46.09, "axes": {"activity": 11.92, "binding": 15.16, "selectivity": 7.87, "admet": 5.39, "novelty": 2.21, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 7.27, "LE": 0.415, "potency_term": 0.758, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.288, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.709, "novelty": 0.291}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.315201028513121, "aff_pf": -1.27457590897878, "aff_hs": -0.23659469187259674, "repeats_pf": {"runs": 3, "values": [-1.2421, -1.305, -1.2766], "mean": -1.2746, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [-0.2151, -0.1941, -0.3006], "mean": -0.2366, "spread": 0.1065}, "at": 1788967419}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [45.359, 47.0], "relegate_reason": [], "submitted_at": 1788963861, "scored_at": 1788967419, "rank": 2443}, {"candidate_id": "ODC-1F5CA2", "res_at": 1787150624, "skeleton": "COYFBLYTHTYJIA", "hf_user": "takutoyo", "display_name": "PfD8-A7", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 46.078, "axes": {"activity": 21.98, "binding": 11.0, "selectivity": 1.09, "admet": 4.69, "novelty": 4.32, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.919, "fraction": 0.733}, "binding": {"pIC50": 6.65, "LE": 0.396, "potency_term": 0.55, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.099, "target_engagement": 0.55}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.454, "herg": 0.739, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.9187496371642245, "aff_pf": -0.6506348450978597, "aff_hs": -0.4532631039619446, "repeats_pf": {"runs": 3, "values": [0.7204, -1.4127, -1.2596], "mean": -0.6506, "spread": 2.1331}, "repeats_hs": {"runs": 3, "values": [-0.4281, -0.4729, -0.4589], "mean": -0.4533, "spread": 0.0448}, "at": 1787150624}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148002, "scored_at": 1787150624, "alerts": [], "rank": 2444}, {"candidate_id": "ODC-F39A61", "res_at": 1787379012, "skeleton": "FXRDRRIEKGXDAM", "hf_user": "1Dmeds", "display_name": "ODC26-G23", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········3)c1C", "total": 46.078, "axes": {"activity": 28.58, "binding": 3.88, "selectivity": 0.43, "admet": 4.05, "novelty": 6.77, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 6.315, "fraction": 0.953}, "binding": {"pIC50": 5.71, "LE": 0.245, "potency_term": 0.238, "efficiency_cap": 0.815}, "selectivity": {"fold": 1.5, "selectivity_term": 0.089, "target_engagement": 0.238}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.895, "herg": 0.05, "dili": 0.126}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "3", "pAct_q10": 6.314569423158257, "aff_pf": 0.2864248752593994, "aff_hs": 0.465332234899203, "repeats_pf": {"runs": 3, "values": [0.2579, 0.2367, 0.3647], "mean": 0.2864, "spread": 0.1279}, "repeats_hs": {"runs": 3, "values": [0.2188, 0.7009, 0.4762], "mean": 0.4653, "spread": 0.4821}, "at": 1787379012}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372802, "scored_at": 1787379012, "alerts": [], "rank": 2445}, {"candidate_id": "ODC-30DFAB", "res_at": 1788814608, "skeleton": "VVQWVKLPAZCMMS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 46.074, "axes": {"activity": 8.66, "binding": 15.58, "selectivity": 10.08, "admet": 4.96, "novelty": 2.94, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.12, "fraction": 0.289}, "binding": {"pIC50": 7.34, "LE": 0.437, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.647, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.119829652432728, "aff_pf": -1.3375660181045532, "aff_hs": -0.04392339537541071, "repeats_pf": {"runs": 3, "values": [-1.337, -1.3745, -1.3012], "mean": -1.3376, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [-0.0266, -0.0988, -0.0063], "mean": -0.0439, "spread": 0.0924}, "at": 1788814608}, "tier": 1, "alerts": [], "total_sd": 0.425, "total_ci95": [45.161, 46.9], "relegate_reason": [], "submitted_at": 1788738034, "scored_at": 1788814608, "rank": 2446}, {"candidate_id": "ODC-E0433C", "res_at": 1787622062, "skeleton": "VDUVONSUNVMOJY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 46.069, "axes": {"activity": 12.75, "binding": 15.26, "selectivity": 6.1, "admet": 4.82, "novelty": 4.53, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 7.29, "LE": 0.37, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.454, "ld50-zhu": 0.829, "herg": 0.14, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.365298528160605, "aff_pf": -1.2885334094365437, "aff_hs": -0.4885034958521525, "repeats_pf": {"runs": 3, "values": [-1.1821, -1.3218, -1.3617], "mean": -1.2885, "spread": 0.1796}, "repeats_hs": {"runs": 3, "values": [-0.3888, -0.488, -0.5887], "mean": -0.4885, "spread": 0.1999}, "at": 1787622062}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620871, "scored_at": 1787622062, "alerts": [], "rank": 2447}, {"candidate_id": "ODC-804E8C", "res_at": 1789998043, "skeleton": "NQIGCIIMSRTMLU", "hf_user": "Bio-JS", "display_name": "0921-S1-24", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 46.049, "axes": {"activity": 15.17, "binding": 14.15, "selectivity": 3.93, "admet": 5.84, "novelty": 3.47, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 7.12, "LE": 0.424, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.827, "ld50-zhu": 0.458, "herg": 0.423, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.510445992988496, "aff_pf": -1.1218602259953816, "aff_hs": -0.5655110081036886, "repeats_pf": {"runs": 3, "values": [-1.1547, -1.1045, -1.1064], "mean": -1.1219, "spread": 0.0501}, "repeats_hs": {"runs": 3, "values": [-0.5624, -0.5173, -0.6168], "mean": -0.5655, "spread": 0.0995}, "at": 1789998043}, "tier": 1, "alerts": [], "total_sd": 0.339, "total_ci95": [45.469, 46.763], "relegate_reason": [], "submitted_at": 1789990463, "scored_at": 1789998043, "rank": 2448}, {"candidate_id": "ODC-DE1BBE", "res_at": 1788328462, "skeleton": "JQJHWTVJLXWUGZ", "hf_user": "Bio-JS", "display_name": "0902C-S1-07", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 46.037, "axes": {"activity": 18.19, "binding": 11.92, "selectivity": 6.52, "admet": 2.74, "novelty": 4.37, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.691, "fraction": 0.606}, "binding": {"pIC50": 7.05, "LE": 0.261, "potency_term": 0.685, "efficiency_cap": 0.871}, "selectivity": {"fold": 9.0, "selectivity_term": 0.476, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.388, "herg": 0.05, "dili": 0.187}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.691366608622947, "aff_pf": -1.0536859432856243, "aff_hs": -0.10121087357401848, "repeats_pf": {"runs": 3, "values": [-1.1184, -1.006, -1.0366], "mean": -1.0537, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [-0.1407, -0.0584, -0.1046], "mean": -0.1012, "spread": 0.0824}, "at": 1788328462}, "tier": 1, "alerts": [], "total_sd": 0.52, "total_ci95": [45.108, 46.948], "relegate_reason": [], "submitted_at": 1788327294, "scored_at": 1788328462, "rank": 2449}, {"candidate_id": "ODC-C6AA81", "res_at": 1789266952, "skeleton": "LQMGFAWGMJKJQF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 46.029, "axes": {"activity": 11.13, "binding": 13.46, "selectivity": 10.37, "admet": 4.92, "novelty": 2.92, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 7.02, "LE": 0.418, "potency_term": 0.673, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.7, "selectivity_term": 0.77, "target_engagement": 0.673}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.524, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.343, "herg": 0.355, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.267533651651572, "aff_pf": -1.0191967884699504, "aff_hs": 0.5214971502621969, "repeats_pf": {"runs": 3, "values": [-1.1087, -0.9388, -1.0101], "mean": -1.0192, "spread": 0.1699}, "repeats_hs": {"runs": 3, "values": [0.597, 0.2944, 0.6731], "mean": 0.5215, "spread": 0.3787}, "at": 1789266952}, "tier": 1, "alerts": [], "total_sd": 1.184, "total_ci95": [43.74, 48.273], "relegate_reason": [], "submitted_at": 1789263435, "scored_at": 1789266952, "rank": 2450}, {"candidate_id": "ODC-128210", "res_at": 1786982476, "skeleton": "ASFAXFSLFSWMFW", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 46.01, "axes": {"activity": 18.67, "binding": 11.68, "selectivity": 4.75, "admet": 4.72, "novelty": 3.38, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.72, "fraction": 0.622}, "binding": {"pIC50": 6.75, "LE": 0.402, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.453, "cyp3a4-substrate-carbonmangels": 0.393, "ld50-zhu": 0.522, "herg": 0.455, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.719991222403081, "aff_pf": -0.752740740776062, "aff_hs": 0.059778099258740745, "repeats_pf": {"runs": 3, "values": [-0.7708, -0.6711, -0.8163], "mean": -0.7527, "spread": 0.1452}, "repeats_hs": {"runs": 3, "values": [0.1017, 0.1395, -0.0619], "mean": 0.0598, "spread": 0.2014}, "at": 1786982476}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979499, "scored_at": 1786982476, "alerts": [], "rank": 2451}, {"candidate_id": "ODC-35FE25", "res_at": 1787700271, "skeleton": "HLPHVGRNVHQTHD", "hf_user": "Moonweave", "display_name": "M5AI-HAL-CAND-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 46.005, "axes": {"activity": 19.48, "binding": 13.81, "selectivity": 2.89, "admet": 2.58, "novelty": 3.97, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.769, "fraction": 0.649}, "binding": {"pIC50": 7.07, "LE": 0.334, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.432, "herg": 0.05, "dili": 0.867}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.768586689594283, "aff_pf": -1.0719038446744282, "aff_hs": -0.653962234656016, "repeats_pf": {"runs": 3, "values": [-1.0668, -0.98, -1.1689], "mean": -1.0719, "spread": 0.1889}, "repeats_hs": {"runs": 3, "values": [-0.6921, -0.6218, -0.648], "mean": -0.654, "spread": 0.0704}, "at": 1787700271}, "tier": 1, "relegate_reason": [], "submitted_at": 1787699931, "scored_at": 1787700271, "alerts": [], "rank": 2452}, {"candidate_id": "ODC-4149DD", "res_at": 1788832703, "skeleton": "YIVAYEJBUBZCTN", "hf_user": "daehan1123", "display_name": "Gemini", "model_name": "Gemini", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.991, "axes": {"activity": 18.4, "binding": 12.27, "selectivity": 6.19, "admet": 3.63, "novelty": 2.83, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.704, "fraction": 0.613}, "binding": {"pIC50": 6.84, "LE": 0.335, "potency_term": 0.614, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.853, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.639, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.704178659938336, "aff_pf": -0.8411463896433512, "aff_hs": 0.16700279961029688, "repeats_pf": {"runs": 3, "values": [-0.7881, -0.7678, -0.9675], "mean": -0.8411, "spread": 0.1997}, "repeats_hs": {"runs": 3, "values": [0.0544, 0.2484, 0.1983], "mean": 0.167, "spread": 0.194}, "at": 1788832703}, "tier": 1, "alerts": [], "total_sd": 1.046, "total_ci95": [44.543, 48.399], "relegate_reason": [], "submitted_at": 1788830414, "scored_at": 1788832703, "rank": 2453}, {"candidate_id": "ODC-890F74", "res_at": 1787454837, "skeleton": "LFOXRRQDAYZWGU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 45.988, "axes": {"activity": 11.97, "binding": 13.12, "selectivity": 9.85, "admet": 4.22, "novelty": 4.5, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 6.97, "LE": 0.398, "potency_term": 0.656, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.7, "selectivity_term": 0.751, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.838, "cyp2c9-veith": 0.059, "cyp3a4-substrate-carbonmangels": 0.476, "ld50-zhu": 0.677, "herg": 0.46, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.3183251407013, "aff_pf": -0.9681745568911234, "aff_hs": 0.5328658819198608, "repeats_pf": {"runs": 3, "values": [-1.0114, -0.9168, -0.9763], "mean": -0.9682, "spread": 0.0946}, "repeats_hs": {"runs": 3, "values": [0.5404, 0.4762, 0.5819], "mean": 0.5329, "spread": 0.1057}, "at": 1787454837}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453351, "scored_at": 1787454837, "alerts": [], "rank": 2454}, {"candidate_id": "ODC-87F475", "res_at": 1789046849, "skeleton": "YKJWAQAPUADGPD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 45.98, "axes": {"activity": 11.97, "binding": 13.32, "selectivity": 10.0, "admet": 5.59, "novelty": 1.84, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 7.0, "LE": 0.417, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.7, "selectivity_term": 0.75, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.453, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.676, "cyp3a4-substrate-carbonmangels": 0.672, "ld50-zhu": 0.375, "herg": 0.321, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.31849073378502, "aff_pf": -0.9982317884763082, "aff_hs": 0.5025448501110077, "repeats_pf": {"runs": 3, "values": [-1.0036, -0.9918, -0.9993], "mean": -0.9982, "spread": 0.0117}, "repeats_hs": {"runs": 3, "values": [0.5438, 0.5582, 0.4056], "mean": 0.5025, "spread": 0.1527}, "at": 1789046849}, "tier": 1, "alerts": [], "total_sd": 0.272, "total_ci95": [45.334, 46.411], "relegate_reason": [], "submitted_at": 1789040564, "scored_at": 1789046849, "rank": 2455}, {"candidate_id": "ODC-771907", "res_at": 1787705540, "skeleton": "MOQFSUCUPDRSLY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.977, "axes": {"activity": 18.21, "binding": 12.69, "selectivity": 3.24, "admet": 5.28, "novelty": 3.66, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 6.9, "LE": 0.394, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.255, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.458, "cyp3a4-substrate-carbonmangels": 0.568, "ld50-zhu": 0.561, "herg": 0.64, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.692725915722364, "aff_pf": -0.903631329536438, "aff_hs": -0.3926358570655187, "repeats_pf": {"runs": 3, "values": [-0.9321, -0.9376, -0.8412], "mean": -0.9036, "spread": 0.0964}, "repeats_hs": {"runs": 3, "values": [-0.3986, -0.5408, -0.2385], "mean": -0.3926, "spread": 0.3022}, "at": 1787705540}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702920, "scored_at": 1787705540, "alerts": [], "rank": 2456}, {"candidate_id": "ODC-99B986", "res_at": 1787558747, "skeleton": "VCIBJMSHKYDNSM", "hf_user": "takutoyo", "display_name": "PfD16-10", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········2)cn1", "total": 45.977, "axes": {"activity": 23.46, "binding": 9.1, "selectivity": 3.18, "admet": 2.66, "novelty": 4.53, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 6.008, "fraction": 0.782}, "binding": {"pIC50": 6.48, "LE": 0.277, "potency_term": 0.492, "efficiency_cap": 0.924}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.372, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.007766737580693, "aff_pf": -0.4768110513687134, "aff_hs": 0.16997563590606055, "repeats_pf": {"runs": 3, "values": [-0.4265, -0.4649, -0.5391], "mean": -0.4768, "spread": 0.1126}, "repeats_hs": {"runs": 3, "values": [0.185, 0.2981, 0.0268], "mean": 0.17, "spread": 0.2713}, "at": 1787558747}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544108, "scored_at": 1787558747, "alerts": [], "rank": 2457}, {"candidate_id": "ODC-4350B9", "res_at": 1787051016, "skeleton": "VVPQFSUFDFIOQL", "hf_user": "takutoyo", "display_name": "PfD6-B2", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 45.966, "axes": {"activity": 2.69, "binding": 16.89, "selectivity": 10.99, "admet": 6.24, "novelty": 5.76, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 4.762, "fraction": 0.09}, "binding": {"pIC50": 7.53, "LE": 0.469, "potency_term": 0.845, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.0, "selectivity_term": 0.65, "target_engagement": 0.845}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.802, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.486, "herg": 0.945, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 4.761632497968867, "aff_pf": -1.5338191588719685, "aff_hs": -0.23311138153076172, "repeats_pf": {"runs": 3, "values": [-1.5627, -1.5739, -1.4649], "mean": -1.5338, "spread": 0.109}, "repeats_hs": {"runs": 3, "values": [-0.3266, -0.2203, -0.1524], "mean": -0.2331, "spread": 0.1741}, "at": 1787051016}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047053, "scored_at": 1787051016, "alerts": [], "rank": 2458}, {"candidate_id": "ODC-31EE3E", "res_at": 1788567567, "skeleton": "YWVJVLQKJXISLD", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 45.95, "axes": {"activity": 15.3, "binding": 14.24, "selectivity": 4.23, "admet": 4.5, "novelty": 4.86, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 7.16, "LE": 0.297, "potency_term": 0.719, "efficiency_cap": 0.99}, "selectivity": {"fold": 3.9, "selectivity_term": 0.294, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.602, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.685, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.517836418964081, "aff_pf": -1.1562910079956055, "aff_hs": -0.5678765674432119, "repeats_pf": {"runs": 3, "values": [-1.2239, -1.1312, -1.1137], "mean": -1.1563, "spread": 0.1103}, "repeats_hs": {"runs": 3, "values": [-0.4446, -0.5402, -0.7189], "mean": -0.5679, "spread": 0.2743}, "at": 1788567567}, "tier": 1, "alerts": [], "total_sd": 0.841, "total_ci95": [44.246, 47.67], "relegate_reason": [], "submitted_at": 1788555317, "scored_at": 1788567567, "rank": 2459}, {"candidate_id": "ODC-FFD970", "res_at": 1788993994, "skeleton": "NBCXDZYCTMPJBO", "hf_user": "Bio-JS", "display_name": "0910-S1-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.943, "axes": {"activity": 13.05, "binding": 14.16, "selectivity": 9.38, "admet": 4.62, "novelty": 1.33, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.383, "fraction": 0.435}, "binding": {"pIC50": 7.12, "LE": 0.424, "potency_term": 0.708, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.1, "selectivity_term": 0.662, "target_engagement": 0.708}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.493, "herg": 0.509, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.812, "novelty": 0.188}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.383142184277933, "aff_pf": -1.1247352361679077, "aff_hs": 0.19989091157913208, "repeats_pf": {"runs": 3, "values": [-1.1379, -1.1847, -1.0516], "mean": -1.1247, "spread": 0.1331}, "repeats_hs": {"runs": 3, "values": [0.1486, 0.1915, 0.2596], "mean": 0.1999, "spread": 0.111}, "at": 1788993994}, "tier": 1, "alerts": [], "total_sd": 0.759, "total_ci95": [44.311, 47.308], "relegate_reason": [], "submitted_at": 1788993262, "scored_at": 1788993994, "rank": 2460}, {"candidate_id": "ODC-151257", "res_at": 1786903958, "skeleton": "RBXWLDFTVHZLOS", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········nc2n1", "total": 45.941, "axes": {"activity": 20.55, "binding": 10.1, "selectivity": 3.98, "admet": 3.87, "novelty": 4.45, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.833, "fraction": 0.685}, "binding": {"pIC50": 6.51, "LE": 0.308, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.856, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.622, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.832811140715587, "aff_pf": -0.5148570040861765, "aff_hs": 0.2733941823244095, "repeats_pf": {"runs": 3, "values": [-0.5547, -0.4864, -0.5035], "mean": -0.5149, "spread": 0.0682}, "repeats_hs": {"runs": 3, "values": [0.1478, 0.3869, 0.2856], "mean": 0.2734, "spread": 0.2391}, "at": 1786903958}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900930, "scored_at": 1786903958, "alerts": [], "rank": 2461}, {"candidate_id": "ODC-D7AD05", "res_at": 1787736277, "skeleton": "CQLKZNFVAXHVLK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········cc1Cl", "total": 45.936, "axes": {"activity": 17.94, "binding": 14.93, "selectivity": 1.96, "admet": 4.78, "novelty": 2.99, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.676, "fraction": 0.598}, "binding": {"pIC50": 7.24, "LE": 0.413, "potency_term": 0.746, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.131, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 0.445, "herg": 0.51, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.676387007384572, "aff_pf": -1.239353895187378, "aff_hs": -0.9770179788271586, "repeats_pf": {"runs": 3, "values": [-1.2161, -1.1899, -1.3121], "mean": -1.2394, "spread": 0.1222}, "repeats_hs": {"runs": 3, "values": [-1.053, -0.9207, -0.9574], "mean": -0.977, "spread": 0.1324}, "at": 1787736277}, "tier": 1, "relegate_reason": [], "submitted_at": 1787736036, "scored_at": 1787736277, "alerts": [], "rank": 2462}, {"candidate_id": "ODC-72128C", "res_at": 1786945986, "skeleton": "ITXZKRZEOLOBGC", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 45.932, "axes": {"activity": 12.97, "binding": 15.58, "selectivity": 5.93, "admet": 3.74, "novelty": 4.49, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 7.34, "LE": 0.387, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.38, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.079, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.586, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.474, "ld50-zhu": 0.78, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.378272825320305, "aff_pf": -1.337706168492635, "aff_hs": -0.5769856572151184, "repeats_pf": {"runs": 3, "values": [-1.4116, -1.198, -1.4034], "mean": -1.3377, "spread": 0.2136}, "repeats_hs": {"runs": 3, "values": [-0.3221, -0.7419, -0.667], "mean": -0.577, "spread": 0.4199}, "at": 1786945986}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934290, "scored_at": 1786945986, "alerts": [], "rank": 2463}, {"candidate_id": "ODC-C4D7F0", "res_at": 1787567025, "skeleton": "ZENPUSJTQQMIJT", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 45.902, "axes": {"activity": 19.98, "binding": 11.22, "selectivity": 4.42, "admet": 2.95, "novelty": 4.5, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.799, "fraction": 0.666}, "binding": {"pIC50": 6.92, "LE": 0.263, "potency_term": 0.639, "efficiency_cap": 0.877}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.389, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.583, "herg": 0.05, "dili": 0.296}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.798826604516009, "aff_pf": -0.9174241622289022, "aff_hs": -0.22662153840065002, "repeats_pf": {"runs": 3, "values": [-0.7973, -1.0051, -0.9499], "mean": -0.9174, "spread": 0.2077}, "repeats_hs": {"runs": 3, "values": [-0.2081, -0.182, -0.2898], "mean": -0.2266, "spread": 0.1078}, "at": 1787567025}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557288, "scored_at": 1787567025, "alerts": [], "rank": 2464}, {"candidate_id": "ODC-B3485E", "res_at": 1789120741, "skeleton": "YXANKLUKPVLTER", "hf_user": "Bio-JS", "display_name": "0911-S1-2pos_Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 45.901, "axes": {"activity": 10.42, "binding": 13.28, "selectivity": 10.47, "admet": 5.01, "novelty": 4.01, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 6.99, "LE": 0.416, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.8, "selectivity_term": 0.789, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.446, "herg": 0.745, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.22529963310366, "aff_pf": -0.9922441244125366, "aff_hs": 0.584772785504659, "repeats_pf": {"runs": 3, "values": [-0.9357, -0.9503, -1.0907], "mean": -0.9922, "spread": 0.155}, "repeats_hs": {"runs": 3, "values": [0.4885, 0.5402, 0.7256], "mean": 0.5848, "spread": 0.2371}, "at": 1789120741}, "tier": 1, "alerts": [], "total_sd": 1.044, "total_ci95": [44.135, 48.34], "relegate_reason": [], "submitted_at": 1789117053, "scored_at": 1789120741, "rank": 2465}, {"candidate_id": "ODC-3A6B6E", "res_at": 1787382292, "skeleton": "URFDAFYZRRYFRK", "hf_user": "Ku-ku", "display_name": "Y5_arm_chx", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(CCc··········CCCC1", "total": 45.892, "axes": {"activity": 22.22, "binding": 8.13, "selectivity": 4.58, "admet": 2.45, "novelty": 5.25, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.933, "fraction": 0.741}, "binding": {"pIC50": 6.38, "LE": 0.265, "potency_term": 0.46, "efficiency_cap": 0.883}, "selectivity": {"fold": 9.9, "selectivity_term": 0.497, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.22, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.448, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.933252789618685, "aff_pf": -0.38134528199831647, "aff_hs": 0.6128893891970316, "repeats_pf": {"runs": 3, "values": [-0.4178, -0.4071, -0.3192], "mean": -0.3813, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [0.6758, 0.5988, 0.5641], "mean": 0.6129, "spread": 0.1117}, "at": 1787382292}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381490, "scored_at": 1787382292, "alerts": [], "rank": 2466}, {"candidate_id": "ODC-6DDE2F", "res_at": 1787186363, "skeleton": "GHQQLHJTLVBZBP", "hf_user": "Ku-ku", "display_name": "Z2_benzylamine", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 45.863, "axes": {"activity": 26.83, "binding": 3.51, "selectivity": 0.05, "admet": 5.55, "novelty": 6.37, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 6.21, "fraction": 0.894}, "binding": {"pIC50": 5.58, "LE": 0.273, "potency_term": 0.193, "efficiency_cap": 0.91}, "selectivity": {"fold": 1.1, "selectivity_term": 0.013, "target_engagement": 0.193}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.746, "cyp2c9-veith": 0.647, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.561, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.209728706402458, "aff_pf": 0.42133721709251404, "aff_hs": 0.44679824511210126, "repeats_pf": {"runs": 3, "values": [0.4426, 0.363, 0.4584], "mean": 0.4213, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [0.3256, 0.5017, 0.5132], "mean": 0.4468, "spread": 0.1876}, "at": 1787186363}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184086, "scored_at": 1787186363, "alerts": [], "rank": 2467}, {"candidate_id": "ODC-F650F2", "res_at": 1786865349, "skeleton": "RRMLNSGPKIVUOP", "hf_user": "choa712", "display_name": "CODEX-R2-02", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.863, "axes": {"activity": 13.54, "binding": 13.73, "selectivity": 7.46, "admet": 5.02, "novelty": 3.13, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.413, "fraction": 0.451}, "binding": {"pIC50": 7.06, "LE": 0.421, "potency_term": 0.687, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.687}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.537, "herg": 0.427, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.41254218498349, "aff_pf": -1.0600926876068115, "aff_hs": 0.026456475257873535, "repeats_pf": {"runs": 3, "values": [-1.0528, -1.1084, -1.0191], "mean": -1.0601, "spread": 0.0892}, "repeats_hs": {"runs": 3, "values": [0.1601, 0.053, -0.1338], "mean": 0.0265, "spread": 0.2938}, "at": 1786865349}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855455, "scored_at": 1786865349, "alerts": [], "rank": 2468}, {"candidate_id": "ODC-D97257", "res_at": 1786935435, "skeleton": "TUDCPJLIJPZVIB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 45.845, "axes": {"activity": 16.16, "binding": 15.46, "selectivity": 1.08, "admet": 5.54, "novelty": 4.12, "synthesis": 3.48}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 7.32, "LE": 0.401, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.07, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.329, "cyp3a4-substrate-carbonmangels": 0.263, "ld50-zhu": 0.463, "herg": 0.305, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.569838633185224, "aff_pf": -1.318796952565511, "aff_hs": -1.1791547934214275, "repeats_pf": {"runs": 3, "values": [-1.3648, -1.3308, -1.2608], "mean": -1.3188, "spread": 0.1041}, "repeats_hs": {"runs": 3, "values": [-1.1786, -1.1819, -1.177], "mean": -1.1792, "spread": 0.0049}, "at": 1786935435}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925696, "scored_at": 1786935435, "alerts": [], "rank": 2469}, {"candidate_id": "ODC-786FD3", "res_at": 1787616098, "skeleton": "XJIYVIONMXRCPR", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-메틸싸이올란-3-일 (5원 S)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 45.84, "axes": {"activity": 20.32, "binding": 8.85, "selectivity": 6.71, "admet": 3.08, "novelty": 4.6, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.819, "fraction": 0.677}, "binding": {"pIC50": 6.62, "LE": 0.245, "potency_term": 0.541, "efficiency_cap": 0.817}, "selectivity": {"fold": 17.3, "selectivity_term": 0.62, "target_engagement": 0.541}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.462, "herg": 0.05, "dili": 0.202}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 5.819190032864183, "aff_pf": -0.623420238494873, "aff_hs": 0.615687886873881, "repeats_pf": {"runs": 3, "values": [-0.6735, -0.6967, -0.5001], "mean": -0.6234, "spread": 0.1966}, "repeats_hs": {"runs": 3, "values": [0.8313, 0.5758, 0.44], "mean": 0.6157, "spread": 0.3913}, "at": 1787616098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614434, "scored_at": 1787616098, "alerts": [], "rank": 2470}, {"candidate_id": "ODC-46BE5D", "res_at": 1786982900, "skeleton": "RILIJGLMHGWAGY", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-12", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.833, "axes": {"activity": 9.41, "binding": 13.11, "selectivity": 11.73, "admet": 4.71, "novelty": 3.93, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.165, "fraction": 0.314}, "binding": {"pIC50": 6.97, "LE": 0.455, "potency_term": 0.656, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.5, "selectivity_term": 0.894, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.424, "herg": 0.404, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.164788304245083, "aff_pf": -0.9668154915173849, "aff_hs": 0.8220450282096863, "repeats_pf": {"runs": 3, "values": [-0.9511, -1.0434, -0.9059], "mean": -0.9668, "spread": 0.1375}, "repeats_hs": {"runs": 3, "values": [0.9375, 0.8262, 0.7024], "mean": 0.822, "spread": 0.2352}, "at": 1786982900}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979484, "scored_at": 1786982900, "alerts": [], "rank": 2471}, {"candidate_id": "ODC-3E8B6D", "res_at": 1786840043, "skeleton": "DWRKVSYIKPLTLO", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········)c2c1", "total": 45.802, "axes": {"activity": 8.89, "binding": 15.87, "selectivity": 11.76, "admet": 5.44, "novelty": 0.0, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.133, "fraction": 0.296}, "binding": {"pIC50": 7.38, "LE": 0.46, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.3, "selectivity_term": 0.741, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.962, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.543, "ld50-zhu": 0.373, "herg": 0.378, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.133417299324603, "aff_pf": -1.3802675406138103, "aff_hs": 0.10169215500354767, "repeats_pf": {"runs": 3, "values": [-1.347, -1.4098, -1.3841], "mean": -1.3803, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [0.2831, -0.0986, 0.1206], "mean": 0.1017, "spread": 0.3817}, "at": 1786840043}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805806, "scored_at": 1786840043, "alerts": [], "rank": 2472}, {"candidate_id": "ODC-16E179", "res_at": 1786864793, "skeleton": "KMCSAAOQKQZBLH", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.785, "axes": {"activity": 12.36, "binding": 16.52, "selectivity": 5.94, "admet": 4.49, "novelty": 3.3, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 7.48, "LE": 0.379, "potency_term": 0.826, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.36, "target_engagement": 0.826}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.351, "herg": 0.16, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "2", "pAct_q10": 5.341532730905952, "aff_pf": -1.4780946969985962, "aff_hs": -0.7585721214612325, "repeats_pf": {"runs": 3, "values": [-1.4288, -1.4513, -1.5542], "mean": -1.4781, "spread": 0.1254}, "repeats_hs": {"runs": 3, "values": [-0.723, -0.7744, -0.7783], "mean": -0.7586, "spread": 0.0553}, "at": 1786864793}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855397, "scored_at": 1786864793, "alerts": [], "rank": 2473}, {"candidate_id": "ODC-B849AB", "res_at": 1789579330, "skeleton": "WVPDBAVMALOMFH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 45.774, "axes": {"activity": 14.13, "binding": 12.68, "selectivity": 8.34, "admet": 4.07, "novelty": 4.02, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.448, "fraction": 0.471}, "binding": {"pIC50": 6.9, "LE": 0.338, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.7, "selectivity_term": 0.658, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.704, "herg": 0.336, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.447928722443538, "aff_pf": -0.9017518361409506, "aff_hs": 0.41400105754534405, "repeats_pf": {"runs": 3, "values": [-0.9357, -0.8494, -0.9202], "mean": -0.9018, "spread": 0.0864}, "repeats_hs": {"runs": 3, "values": [0.506, 0.3512, 0.3849], "mean": 0.414, "spread": 0.1548}, "at": 1789579330}, "tier": 1, "alerts": [], "total_sd": 0.577, "total_ci95": [44.58, 46.909], "relegate_reason": [], "submitted_at": 1789571898, "scored_at": 1789579330, "rank": 2474}, {"candidate_id": "ODC-4BDFA3", "res_at": 1787562189, "skeleton": "MHKAPBXZAFYGFS", "hf_user": "Moonweave", "display_name": "M5AI-WA-S3", "model_name": "OpenAI Codex — private diagnostic", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········C2)s1", "total": 45.759, "axes": {"activity": 13.25, "binding": 12.89, "selectivity": 10.87, "admet": 4.2, "novelty": 1.33, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.395, "fraction": 0.442}, "binding": {"pIC50": 6.93, "LE": 0.413, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 48.7, "selectivity_term": 0.844, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.346, "herg": 0.05, "dili": 0.485}}, "novelty": {"max_tanimoto": 0.793, "novelty": 0.207}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 5.394867127676138, "aff_pf": -0.9328421950340271, "aff_hs": 0.7546917796134949, "repeats_pf": {"runs": 3, "values": [-0.8902, -0.9538, -0.9545], "mean": -0.9328, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [0.7322, 0.7322, 0.7997], "mean": 0.7547, "spread": 0.0675}, "at": 1787562189}, "tier": 1, "relegate_reason": [], "submitted_at": 1787553346, "scored_at": 1787562189, "alerts": [], "rank": 2475}, {"candidate_id": "ODC-A0FD1E", "res_at": 1786865903, "skeleton": "FFQIJAMGNPSREU", "hf_user": "datarchive", "display_name": "datarchive", "model_name": "anthropic/claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.755, "axes": {"activity": 10.72, "binding": 15.79, "selectivity": 7.5, "admet": 5.99, "novelty": 2.49, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.243, "fraction": 0.357}, "binding": {"pIC50": 7.37, "LE": 0.388, "potency_term": 0.79, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.79}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.904, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.454, "herg": 0.21, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.685, "novelty": 0.315}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.242961710376537, "aff_pf": -1.3686470190684001, "aff_hs": -0.41839031378428143, "repeats_pf": {"runs": 3, "values": [-1.3725, -1.3047, -1.4287], "mean": -1.3686, "spread": 0.124}, "repeats_hs": {"runs": 3, "values": [-0.5076, -0.2722, -0.4754], "mean": -0.4184, "spread": 0.2354}, "at": 1786865903}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856857, "scored_at": 1786865903, "alerts": [], "rank": 2476}, {"candidate_id": "ODC-30D535", "res_at": 1789245013, "skeleton": "SYIDLDKGSCLUSL", "hf_user": "Bio-JS", "display_name": "0913-S1-div26", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 45.735, "axes": {"activity": 14.17, "binding": 13.24, "selectivity": 6.43, "admet": 5.01, "novelty": 3.93, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 6.99, "LE": 0.416, "potency_term": 0.662, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.235, "ld50-zhu": 0.419, "herg": 0.563, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.450367867579575, "aff_pf": -0.985691249370575, "aff_hs": -0.01437091330687205, "repeats_pf": {"runs": 3, "values": [-0.9622, -1.0211, -0.9737], "mean": -0.9857, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [0.1211, -0.1068, -0.0574], "mean": -0.0144, "spread": 0.228}, "at": 1789245013}, "tier": 1, "alerts": [], "total_sd": 0.527, "total_ci95": [44.796, 46.685], "relegate_reason": [], "submitted_at": 1789226384, "scored_at": 1789245013, "rank": 2477}, {"candidate_id": "ODC-343717", "res_at": 1787871628, "skeleton": "IATUYOXRJVMMPM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)(F)F", "total": 45.733, "axes": {"activity": 12.63, "binding": 17.38, "selectivity": 1.82, "admet": 5.44, "novelty": 4.64, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 7.61, "LE": 0.417, "potency_term": 0.869, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.105, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.609, "herg": 0.12, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.358007085388363, "aff_pf": -1.6076514720916748, "aff_hs": -1.398342768351237, "repeats_pf": {"runs": 3, "values": [-1.6373, -1.5974, -1.5883], "mean": -1.6077, "spread": 0.049}, "repeats_hs": {"runs": 3, "values": [-1.27, -1.3031, -1.6219], "mean": -1.3983, "spread": 0.3519}, "at": 1787857404}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800778, "scored_at": 1787857404, "alerts": [], "rank": 2478}, {"candidate_id": "ODC-993538", "res_at": 1788327712, "skeleton": "MAXNYRZGXUXPDG", "hf_user": "Bio-JS", "display_name": "0902C-S1-08", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN=S1(=··········2)CC1", "total": 45.725, "axes": {"activity": 17.97, "binding": 11.82, "selectivity": 7.3, "admet": 2.29, "novelty": 4.1, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.678, "fraction": 0.599}, "binding": {"pIC50": 7.04, "LE": 0.261, "potency_term": 0.68, "efficiency_cap": 0.869}, "selectivity": {"fold": 11.8, "selectivity_term": 0.537, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.255, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.321, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.433, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 5.6784848973484445, "aff_pf": -1.040150264898936, "aff_hs": 0.03352472186088562, "repeats_pf": {"runs": 3, "values": [-0.9884, -1.1194, -1.0126], "mean": -1.0402, "spread": 0.131}, "repeats_hs": {"runs": 3, "values": [-0.035, -0.0003, 0.1359], "mean": 0.0335, "spread": 0.171}, "at": 1788327712}, "tier": 1, "alerts": [], "total_sd": 0.733, "total_ci95": [44.651, 47.477], "relegate_reason": [], "submitted_at": 1788327262, "scored_at": 1788327712, "rank": 2479}, {"candidate_id": "ODC-FCA04C", "res_at": 1786895951, "skeleton": "CGPLMPKFGUOINY", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 45.719, "axes": {"activity": 17.38, "binding": 10.96, "selectivity": 7.09, "admet": 3.82, "novelty": 3.95, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.643, "fraction": 0.579}, "binding": {"pIC50": 6.64, "LE": 0.379, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.6, "selectivity_term": 0.647, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.445, "herg": 0.517, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.643019067088146, "aff_pf": -0.64389036099116, "aff_hs": 0.6493619283040365, "repeats_pf": {"runs": 3, "values": [-0.6806, -0.6803, -0.5708], "mean": -0.6439, "spread": 0.1099}, "repeats_hs": {"runs": 3, "values": [0.758, 0.516, 0.6741], "mean": 0.6494, "spread": 0.242}, "at": 1786895951}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881265, "scored_at": 1786895951, "alerts": [], "rank": 2480}, {"candidate_id": "ODC-A50413", "res_at": 1788532165, "skeleton": "VTPDSNJYOAKHIP", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 45.715, "axes": {"activity": 18.85, "binding": 10.7, "selectivity": 5.77, "admet": 4.09, "novelty": 3.82, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.731, "fraction": 0.628}, "binding": {"pIC50": 6.61, "LE": 0.335, "potency_term": 0.535, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.539, "target_engagement": 0.535}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.886, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.508, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.731226808521453, "aff_pf": -0.6053714454174042, "aff_hs": 0.47343141833941144, "repeats_pf": {"runs": 3, "values": [-0.6307, -0.7117, -0.4738], "mean": -0.6054, "spread": 0.2379}, "repeats_hs": {"runs": 3, "values": [0.4545, 0.5783, 0.3876], "mean": 0.4734, "spread": 0.1907}, "at": 1788532165}, "tier": 1, "alerts": [], "total_sd": 0.937, "total_ci95": [43.609, 47.305], "relegate_reason": [], "submitted_at": 1788489450, "scored_at": 1788532165, "rank": 2481}, {"candidate_id": "ODC-50B353", "res_at": 1788064358, "skeleton": "NJISONILUDQIRC", "hf_user": "Bio-JS", "display_name": "20 A6 2-Me/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)n2n1", "total": 45.705, "axes": {"activity": 23.72, "binding": 9.65, "selectivity": 0.47, "admet": 3.21, "novelty": 5.4, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 6.023, "fraction": 0.791}, "binding": {"pIC50": 6.74, "LE": 0.25, "potency_term": 0.58, "efficiency_cap": 0.832}, "selectivity": {"fold": 1.2, "selectivity_term": 0.041, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.388, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.71, "herg": 0.05, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.023471443158924, "aff_pf": -0.7405664722124735, "aff_hs": -0.6588412523269653, "repeats_pf": {"runs": 3, "values": [-0.725, -0.822, -0.6747], "mean": -0.7406, "spread": 0.1473}, "repeats_hs": {"runs": 3, "values": [-0.6653, -0.709, -0.6022], "mean": -0.6588, "spread": 0.1068}, "at": 1788064358}, "tier": 1, "alerts": [], "total_sd": 0.465, "total_ci95": [44.863, 46.579], "relegate_reason": [], "submitted_at": 1788017469, "scored_at": 1788064358, "rank": 2482}, {"candidate_id": "ODC-F4299E", "res_at": 1788904135, "skeleton": "ZYJZPLMBNHWSNS", "hf_user": "Bio-JS", "display_name": "0909-S1-01", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.689, "axes": {"activity": 12.61, "binding": 12.56, "selectivity": 9.68, "admet": 5.06, "novelty": 3.03, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.42}, "binding": {"pIC50": 6.88, "LE": 0.41, "potency_term": 0.628, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.8, "selectivity_term": 0.771, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.726, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.434, "herg": 0.905, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.356783579851034, "aff_pf": -0.8833765586217245, "aff_hs": 0.6585441629091898, "repeats_pf": {"runs": 3, "values": [-0.933, -0.8853, -0.8319], "mean": -0.8834, "spread": 0.1012}, "repeats_hs": {"runs": 3, "values": [0.7977, 0.5999, 0.578], "mean": 0.6585, "spread": 0.2197}, "at": 1788904135}, "tier": 1, "alerts": [], "total_sd": 0.653, "total_ci95": [44.438, 46.965], "relegate_reason": [], "submitted_at": 1788902727, "scored_at": 1788904135, "rank": 2483}, {"candidate_id": "ODC-80944E", "res_at": 1787317537, "skeleton": "NPQHCFZMPCNPNH", "hf_user": "takutoyo", "display_name": "PfD12-11", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 45.675, "axes": {"activity": 20.37, "binding": 10.32, "selectivity": 5.77, "admet": 2.51, "novelty": 4.38, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.822, "fraction": 0.679}, "binding": {"pIC50": 6.72, "LE": 0.271, "potency_term": 0.572, "efficiency_cap": 0.902}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.466, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.522, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.821996785997057, "aff_pf": -0.7157459259033203, "aff_hs": 0.2929823398590088, "repeats_pf": {"runs": 3, "values": [-0.903, -0.4515, -0.7927], "mean": -0.7157, "spread": 0.4515}, "repeats_hs": {"runs": 3, "values": [0.3157, 0.4331, 0.1302], "mean": 0.293, "spread": 0.3029}, "at": 1787317537}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315764, "scored_at": 1787317537, "alerts": [], "rank": 2484}, {"candidate_id": "ODC-12BC64", "res_at": 1789043819, "skeleton": "SNVQSFKAQBITPB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 45.673, "axes": {"activity": 14.93, "binding": 13.98, "selectivity": 5.98, "admet": 4.97, "novelty": 2.8, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 7.1, "LE": 0.405, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.427, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.962, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.597, "cyp3a4-substrate-carbonmangels": 0.108, "ld50-zhu": 0.565, "herg": 0.15, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.4958544363225625, "aff_pf": -1.0970888535181682, "aff_hs": -0.24214763442675272, "repeats_pf": {"runs": 3, "values": [-1.0853, -1.1047, -1.1012], "mean": -1.0971, "spread": 0.0194}, "repeats_hs": {"runs": 3, "values": [-0.291, -0.1192, -0.3162], "mean": -0.2421, "spread": 0.197}, "at": 1789043819}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [45.017, 46.415], "relegate_reason": [], "submitted_at": 1789040351, "scored_at": 1789043819, "rank": 2485}, {"candidate_id": "ODC-B0F926", "res_at": 1787319836, "skeleton": "LICNKRRNBLSFMD", "hf_user": "takutoyo", "display_name": "PfD12-23", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1nc··········cc1CO", "total": 45.667, "axes": {"activity": 24.37, "binding": 7.29, "selectivity": 1.26, "admet": 4.28, "novelty": 5.64, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 6.062, "fraction": 0.812}, "binding": {"pIC50": 6.26, "LE": 0.26, "potency_term": 0.42, "efficiency_cap": 0.866}, "selectivity": {"fold": 2.0, "selectivity_term": 0.15, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.496, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.75, "ld50-zhu": 0.525, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 6.062083717498835, "aff_pf": -0.2614128092924754, "aff_hs": 0.03829655051231384, "repeats_pf": {"runs": 3, "values": [-0.2661, -0.2597, -0.2585], "mean": -0.2614, "spread": 0.0076}, "repeats_hs": {"runs": 3, "values": [0.0769, 0.0517, -0.0137], "mean": 0.0383, "spread": 0.0906}, "at": 1787319836}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315958, "scored_at": 1787319836, "alerts": [], "rank": 2486}, {"candidate_id": "ODC-8E07BE", "res_at": 1786861523, "skeleton": "MSKJZBVUEVPGFN", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G8-PhBrOMeF", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)c1Br", "total": 45.662, "axes": {"activity": 14.68, "binding": 13.9, "selectivity": 5.73, "admet": 4.6, "novelty": 3.71, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 7.08, "LE": 0.422, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.412, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.598, "ld50-zhu": 0.524, "herg": 0.099, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.480564166905643, "aff_pf": -1.0843671560287476, "aff_hs": -0.25978906949361164, "repeats_pf": {"runs": 3, "values": [-1.0701, -1.0831, -1.0999], "mean": -1.0844, "spread": 0.0297}, "repeats_hs": {"runs": 3, "values": [-0.2283, -0.216, -0.335], "mean": -0.2598, "spread": 0.119}, "at": 1786861523}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854165, "scored_at": 1786861523, "alerts": [], "rank": 2487}, {"candidate_id": "ODC-338802", "res_at": 1786983452, "skeleton": "AOIQWYFRFHTWDP", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.655, "axes": {"activity": 13.08, "binding": 12.81, "selectivity": 9.18, "admet": 3.99, "novelty": 3.82, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.385, "fraction": 0.436}, "binding": {"pIC50": 6.92, "LE": 0.412, "potency_term": 0.64, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.2, "selectivity_term": 0.717, "target_engagement": 0.64}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.122, "ld50-zhu": 0.425, "herg": 0.25, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.384821649340112, "aff_pf": -0.9207752346992493, "aff_hs": 0.5136262277762095, "repeats_pf": {"runs": 3, "values": [-0.9018, -0.9229, -0.9376], "mean": -0.9208, "spread": 0.0358}, "repeats_hs": {"runs": 3, "values": [0.365, 0.5269, 0.649], "mean": 0.5136, "spread": 0.284}, "at": 1786983452}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979506, "scored_at": 1786983452, "alerts": [], "rank": 2488}, {"candidate_id": "ODC-9D4FE5", "res_at": 1789621657, "skeleton": "MHONEAJZFIJKMI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.655, "axes": {"activity": 21.29, "binding": 11.61, "selectivity": 1.39, "admet": 4.48, "novelty": 3.93, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.877, "fraction": 0.71}, "binding": {"pIC50": 6.74, "LE": 0.355, "potency_term": 0.58, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.079, "ld50-zhu": 0.537, "herg": 0.274, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.877329179907716, "aff_pf": -0.7408014138539633, "aff_hs": -0.5019401808579763, "repeats_pf": {"runs": 3, "values": [-0.7358, -0.6777, -0.8089], "mean": -0.7408, "spread": 0.1313}, "repeats_hs": {"runs": 3, "values": [-0.6389, -0.4601, -0.4069], "mean": -0.5019, "spread": 0.232}, "at": 1789621657}, "tier": 1, "alerts": [], "total_sd": 0.572, "total_ci95": [44.644, 46.807], "relegate_reason": [], "submitted_at": 1789619008, "scored_at": 1789621657, "rank": 2489}, {"candidate_id": "ODC-FBEDFB", "res_at": 1789945008, "skeleton": "NISRGGZSUMEAPJ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········]c2n1", "total": 45.654, "axes": {"activity": 11.82, "binding": 12.36, "selectivity": 9.46, "admet": 4.83, "novelty": 4.43, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 6.85, "LE": 0.391, "potency_term": 0.618, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.9, "selectivity_term": 0.765, "target_engagement": 0.618}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.37, "cyp3a4-substrate-carbonmangels": 0.687, "ld50-zhu": 0.64, "herg": 0.278, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.309338679049619, "aff_pf": -0.8546160062154134, "aff_hs": 0.675156831741333, "repeats_pf": {"runs": 3, "values": [-0.8528, -0.8718, -0.8392], "mean": -0.8546, "spread": 0.0326}, "repeats_hs": {"runs": 3, "values": [0.6742, 0.6356, 0.7157], "mean": 0.6752, "spread": 0.0802}, "at": 1789945008}, "tier": 1, "alerts": [], "total_sd": 0.2, "total_ci95": [45.303, 46.06], "relegate_reason": [], "submitted_at": 1789828764, "scored_at": 1789945008, "rank": 2490}, {"candidate_id": "ODC-917A5C", "res_at": 1787729426, "skeleton": "XREMMRNWJWUAEF", "hf_user": "Bio-JS", "display_name": "A 팔페닐 -> 피페리딘-1,4-다이일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 45.651, "axes": {"activity": 16.04, "binding": 12.33, "selectivity": 7.71, "admet": 2.88, "novelty": 4.49, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.562, "fraction": 0.535}, "binding": {"pIC50": 7.11, "LE": 0.263, "potency_term": 0.703, "efficiency_cap": 0.877}, "selectivity": {"fold": 12.5, "selectivity_term": 0.549, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.534, "caco2-wang": 0.327, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.753, "herg": 0.05, "dili": 0.124}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.562273863178063, "aff_pf": -1.1078778505325317, "aff_hs": -0.010326102375984192, "repeats_pf": {"runs": 3, "values": [-1.0824, -1.0937, -1.1475], "mean": -1.1079, "spread": 0.0651}, "repeats_hs": {"runs": 3, "values": [-0.1297, 0.0918, 0.0069], "mean": -0.0103, "spread": 0.2215}, "at": 1787729426}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726406, "scored_at": 1787729426, "alerts": [], "rank": 2491}, {"candidate_id": "ODC-FFBF42", "res_at": 1787024400, "skeleton": "BHEIZZZKEJDMMM", "hf_user": "takutoyo", "display_name": "PfD5-A6", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········F)CC1", "total": 45.647, "axes": {"activity": 25.58, "binding": 3.93, "selectivity": 1.19, "admet": 5.36, "novelty": 5.94, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.135, "fraction": 0.853}, "binding": {"pIC50": 5.74, "LE": 0.238, "potency_term": 0.247, "efficiency_cap": 0.794}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.247}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.819, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 6.134820445558889, "aff_pf": 0.2588064322868983, "aff_hs": 0.7413066625595093, "repeats_pf": {"runs": 3, "values": [0.125, 0.314, 0.3374], "mean": 0.2588, "spread": 0.2124}, "repeats_hs": {"runs": 3, "values": [0.7213, 0.6969, 0.8057], "mean": 0.7413, "spread": 0.1088}, "at": 1787024400}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023065, "scored_at": 1787024400, "alerts": [], "rank": 2492}, {"candidate_id": "ODC-7A7D41", "res_at": 1787323648, "skeleton": "HXPVVOQYRRMXCS", "hf_user": "Ku-ku", "display_name": "C_4I_3OCHF2", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.643, "axes": {"activity": 20.2, "binding": 12.0, "selectivity": 3.1, "admet": 3.95, "novelty": 3.53, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.812, "fraction": 0.673}, "binding": {"pIC50": 6.8, "LE": 0.358, "potency_term": 0.6, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.6}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.717, "ld50-zhu": 0.751, "herg": 0.144, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.811962665872064, "aff_pf": -0.8005462487538656, "aff_hs": -0.28410642345746356, "repeats_pf": {"runs": 3, "values": [-0.8693, -0.7122, -0.8202], "mean": -0.8005, "spread": 0.157}, "repeats_hs": {"runs": 3, "values": [-0.1778, -0.4674, -0.207], "mean": -0.2841, "spread": 0.2896}, "at": 1787323648}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322686, "scored_at": 1787323648, "alerts": [], "rank": 2493}, {"candidate_id": "ODC-F1ADDC", "res_at": 1788434109, "skeleton": "HSQNCNBJHVQYKE", "hf_user": "Bio-JS", "display_name": "0903-S1-17 oCC_mF/cPr/tmSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 45.632, "axes": {"activity": 21.15, "binding": 11.42, "selectivity": 2.87, "admet": 2.5, "novelty": 5.11, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.869, "fraction": 0.705}, "binding": {"pIC50": 6.99, "LE": 0.259, "potency_term": 0.662, "efficiency_cap": 0.862}, "selectivity": {"fold": 2.7, "selectivity_term": 0.217, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.742, "herg": 0.05, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "0", "pAct_q10": 5.868971337179936, "aff_pf": -0.9867629607518514, "aff_hs": -0.5535463889439901, "repeats_pf": {"runs": 3, "values": [-0.9601, -0.9812, -1.019], "mean": -0.9868, "spread": 0.0588}, "repeats_hs": {"runs": 3, "values": [-0.4893, -0.5332, -0.6382], "mean": -0.5535, "spread": 0.1489}, "at": 1788434109}, "tier": 1, "alerts": [], "total_sd": 0.33, "total_ci95": [45.005, 46.37], "relegate_reason": [], "submitted_at": 1788362797, "scored_at": 1788434109, "rank": 2494}, {"candidate_id": "ODC-8E9F94", "res_at": 1789965737, "skeleton": "OYHKVZSSNUAVAB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.608, "axes": {"activity": 15.12, "binding": 16.3, "selectivity": 3.63, "admet": 3.54, "novelty": 4.14, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.507, "fraction": 0.504}, "binding": {"pIC50": 7.44, "LE": 0.392, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.508, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.835, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "2", "pAct_q10": 5.506921208772779, "aff_pf": -1.444604476292928, "aff_hs": -0.9991939465204874, "repeats_pf": {"runs": 3, "values": [-1.3495, -1.4811, -1.5033], "mean": -1.4446, "spread": 0.1538}, "repeats_hs": {"runs": 3, "values": [-0.9378, -1.0502, -1.0095], "mean": -0.9992, "spread": 0.1124}, "at": 1789965737}, "tier": 1, "alerts": [], "total_sd": 0.808, "total_ci95": [44.261, 46.986], "relegate_reason": [], "submitted_at": 1789918997, "scored_at": 1789965737, "rank": 2495}, {"candidate_id": "ODC-4CB139", "res_at": 1787224170, "skeleton": "VIFCIERNRRTNNM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 45.597, "axes": {"activity": 11.2, "binding": 13.73, "selectivity": 9.32, "admet": 4.31, "novelty": 4.23, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.272, "fraction": 0.373}, "binding": {"pIC50": 7.06, "LE": 0.387, "potency_term": 0.687, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.8, "selectivity_term": 0.679, "target_engagement": 0.687}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.611, "herg": 0.432, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.271978531181553, "aff_pf": -1.0598818063735962, "aff_hs": 0.2975756923357646, "repeats_pf": {"runs": 3, "values": [-1.0016, -1.0865, -1.0916], "mean": -1.0599, "spread": 0.09}, "repeats_hs": {"runs": 3, "values": [0.1564, 0.3748, 0.3616], "mean": 0.2976, "spread": 0.2184}, "at": 1787224170}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220802, "scored_at": 1787224170, "alerts": [], "rank": 2496}, {"candidate_id": "ODC-007D3A", "res_at": 1789102209, "skeleton": "NWYYPDKOOOBLHO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.595, "axes": {"activity": 11.11, "binding": 17.03, "selectivity": 4.88, "admet": 4.99, "novelty": 4.04, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.266, "fraction": 0.37}, "binding": {"pIC50": 7.55, "LE": 0.414, "potency_term": 0.851, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.851}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.227, "cyp2c9-veith": 0.346, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.797, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.2663151868321405, "aff_pf": -1.5542025963465373, "aff_hs": -0.9814620812733968, "repeats_pf": {"runs": 3, "values": [-1.525, -1.5937, -1.5439], "mean": -1.5542, "spread": 0.0686}, "repeats_hs": {"runs": 3, "values": [-0.7933, -1.197, -0.9541], "mean": -0.9815, "spread": 0.4037}, "at": 1789102209}, "tier": 1, "alerts": [], "total_sd": 0.908, "total_ci95": [43.76, 47.257], "relegate_reason": [], "submitted_at": 1789093156, "scored_at": 1789102209, "rank": 2497}, {"candidate_id": "ODC-40E0ED", "res_at": 1786794054, "skeleton": "VWPMSZAMVJKMMI", "hf_user": "DOATC", "display_name": "SOL_LIMITBREAK_POS01", "model_name": "gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.588, "axes": {"activity": 14.94, "binding": 13.78, "selectivity": 6.64, "admet": 5.01, "novelty": 2.04, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 7.07, "LE": 0.421, "potency_term": 0.689, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.482, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.418, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.301, "herg": 0.577, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.704, "novelty": 0.296}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.4963239219755655, "aff_pf": -1.0667707125345867, "aff_hs": -0.10342588399847348, "repeats_pf": {"runs": 3, "values": [-0.9919, -1.0635, -1.1449], "mean": -1.0668, "spread": 0.153}, "repeats_hs": {"runs": 3, "values": [-0.0194, -0.098, -0.1929], "mean": -0.1034, "spread": 0.1734}, "at": 1786794054}, "tier": 1, "relegate_reason": [], "submitted_at": 1786783696, "scored_at": 1786794054, "alerts": [], "rank": 2498}, {"candidate_id": "ODC-FFDC0E", "res_at": 1787727486, "skeleton": "BHTXNHGKXFBAPL", "hf_user": "Moonweave", "display_name": "M5AI-P12-CN-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 45.587, "axes": {"activity": 14.75, "binding": 15.01, "selectivity": 4.77, "admet": 2.97, "novelty": 4.89, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.492}, "binding": {"pIC50": 7.25, "LE": 0.32, "potency_term": 0.751, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.71, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.484797985739565, "aff_pf": -1.2519912322362263, "aff_hs": -0.6162084142367045, "repeats_pf": {"runs": 3, "values": [-1.3085, -1.2448, -1.2026], "mean": -1.252, "spread": 0.1058}, "repeats_hs": {"runs": 3, "values": [-0.6719, -0.6537, -0.523], "mean": -0.6162, "spread": 0.1489}, "at": 1787727486}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726047, "scored_at": 1787727486, "alerts": [], "rank": 2499}, {"candidate_id": "ODC-E97437", "res_at": 1788531732, "skeleton": "RBDGPDQPRRXWBR", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 45.583, "axes": {"activity": 14.18, "binding": 12.99, "selectivity": 7.05, "admet": 5.35, "novelty": 3.3, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.451, "fraction": 0.473}, "binding": {"pIC50": 6.95, "LE": 0.397, "potency_term": 0.649, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.446, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.339, "herg": 0.979, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.450785788563349, "aff_pf": -0.9480135838190714, "aff_hs": 0.13779418667157492, "repeats_pf": {"runs": 3, "values": [-0.9276, -0.9322, -0.9843], "mean": -0.948, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [0.1904, 0.1351, 0.0878], "mean": 0.1378, "spread": 0.1026}, "at": 1788531732}, "tier": 1, "alerts": [], "total_sd": 0.381, "total_ci95": [45.038, 46.529], "relegate_reason": [], "submitted_at": 1788489594, "scored_at": 1788531732, "rank": 2500}, {"candidate_id": "ODC-ECF1A1", "res_at": 1787248350, "skeleton": "UZRLNNKUVYANON", "hf_user": "takutoyo", "display_name": "PfD11-04", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 45.563, "axes": {"activity": 21.5, "binding": 9.6, "selectivity": 1.0, "admet": 6.53, "novelty": 4.64, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.89, "fraction": 0.717}, "binding": {"pIC50": 6.44, "LE": 0.353, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.749, "ld50-zhu": 0.496, "herg": 0.967, "dili": 0.183}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.890227538907676, "aff_pf": -0.4401710977156957, "aff_hs": -0.2322844366232554, "repeats_pf": {"runs": 3, "values": [-0.8521, -0.2295, -0.2389], "mean": -0.4402, "spread": 0.6226}, "repeats_hs": {"runs": 3, "values": [-0.2422, -0.3893, -0.0653], "mean": -0.2323, "spread": 0.324}, "at": 1787248350}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787241503, "scored_at": 1787248350, "rank": 2501}, {"candidate_id": "ODC-66F98C", "res_at": 1788058022, "skeleton": "HZFMBOJWCDBTJG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 45.554, "axes": {"activity": 19.93, "binding": 12.34, "selectivity": 2.72, "admet": 3.7, "novelty": 3.81, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.796, "fraction": 0.664}, "binding": {"pIC50": 6.85, "LE": 0.348, "potency_term": 0.617, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.886, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.613, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.796048733727449, "aff_pf": -0.8512981732686361, "aff_hs": -0.4110115220149358, "repeats_pf": {"runs": 3, "values": [-0.8265, -0.8476, -0.8798], "mean": -0.8513, "spread": 0.0533}, "repeats_hs": {"runs": 3, "values": [-0.5311, -0.6002, -0.1017], "mean": -0.411, "spread": 0.4986}, "at": 1788058022}, "tier": 1, "alerts": [], "total_sd": 0.794, "total_ci95": [44.291, 46.845], "relegate_reason": [], "submitted_at": 1788013398, "scored_at": 1788058022, "rank": 2502}, {"candidate_id": "ODC-8AD0DA", "res_at": 1789380115, "skeleton": "UQTVTCJHKDFERT", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 45.525, "axes": {"activity": 15.81, "binding": 12.67, "selectivity": 6.7, "admet": 3.68, "novelty": 3.88, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.548, "fraction": 0.527}, "binding": {"pIC50": 6.9, "LE": 0.364, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.693, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.433, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.548303428590887, "aff_pf": -0.9007709423700968, "aff_hs": 0.15599685907363892, "repeats_pf": {"runs": 3, "values": [-0.9599, -0.8636, -0.8788], "mean": -0.9008, "spread": 0.0963}, "repeats_hs": {"runs": 3, "values": [0.0951, 0.0499, 0.3229], "mean": 0.156, "spread": 0.273}, "at": 1789380115}, "tier": 1, "alerts": [], "total_sd": 0.71, "total_ci95": [44.35, 46.934], "relegate_reason": [], "submitted_at": 1789365678, "scored_at": 1789380115, "rank": 2503}, {"candidate_id": "ODC-7D49D9", "res_at": 1788070231, "skeleton": "JWFSEDJKDFEBOB", "hf_user": "Bio-JS", "display_name": "25 A2 x 팔2 피리딜", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 45.49, "axes": {"activity": 21.53, "binding": 8.46, "selectivity": 4.15, "admet": 3.48, "novelty": 5.17, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.892, "fraction": 0.718}, "binding": {"pIC50": 6.57, "LE": 0.243, "potency_term": 0.522, "efficiency_cap": 0.81}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.522}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 5.891544746430528, "aff_pf": -0.5658844709396362, "aff_hs": 0.2287905178964138, "repeats_pf": {"runs": 3, "values": [-0.6405, -0.5462, -0.5109], "mean": -0.5659, "spread": 0.1296}, "repeats_hs": {"runs": 3, "values": [-0.0485, 0.6505, 0.0843], "mean": 0.2288, "spread": 0.699}, "at": 1788070231}, "tier": 1, "alerts": [], "total_sd": 1.028, "total_ci95": [43.844, 47.504], "relegate_reason": [], "submitted_at": 1788017525, "scored_at": 1788070231, "rank": 2504}, {"candidate_id": "ODC-A47782", "res_at": 1788903573, "skeleton": "QZGVANXIANWWSM", "hf_user": "Bio-JS", "display_name": "0909-S1-07", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 45.482, "axes": {"activity": 12.55, "binding": 12.5, "selectivity": 10.0, "admet": 4.62, "novelty": 3.13, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.88, "LE": 0.41, "potency_term": 0.625, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.7, "selectivity_term": 0.799, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.68, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.441, "herg": 0.693, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.352721138018818, "aff_pf": -0.8757491111755371, "aff_hs": 0.7231038212776184, "repeats_pf": {"runs": 3, "values": [-0.7308, -0.9734, -0.923], "mean": -0.8757, "spread": 0.2426}, "repeats_hs": {"runs": 3, "values": [0.6557, 0.6111, 0.9025], "mean": 0.7231, "spread": 0.2914}, "at": 1788903573}, "tier": 1, "alerts": [], "total_sd": 1.474, "total_ci95": [43.086, 48.181], "relegate_reason": [], "submitted_at": 1788902714, "scored_at": 1788903573, "rank": 2505}, {"candidate_id": "ODC-5CB93C", "res_at": 1789329728, "skeleton": "KLCNAPMINFKGIF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.475, "axes": {"activity": 14.36, "binding": 13.03, "selectivity": 6.08, "admet": 5.49, "novelty": 3.67, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 6.95, "LE": 0.381, "potency_term": 0.652, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.652}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.451, "cyp3a4-substrate-carbonmangels": 0.401, "ld50-zhu": 0.719, "herg": 0.599, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.461673291973588, "aff_pf": -0.9546741048494974, "aff_hs": -0.021050070722897846, "repeats_pf": {"runs": 3, "values": [-0.9617, -0.9165, -0.9858], "mean": -0.9547, "spread": 0.0693}, "repeats_hs": {"runs": 3, "values": [0.0425, -0.1087, 0.003], "mean": -0.0211, "spread": 0.1512}, "at": 1789329728}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [44.634, 46.264], "relegate_reason": [], "submitted_at": 1789320814, "scored_at": 1789329728, "rank": 2506}, {"candidate_id": "ODC-EEC501", "res_at": 1786890125, "skeleton": "YQBOEMSRRAGKSO", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(C(F)(F)F)nc3)n2n1", "smiles_masked": null, "total": 45.473, "axes": {"activity": 11.76, "binding": 14.15, "selectivity": 7.48, "admet": 5.82, "novelty": 3.12, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 7.12, "LE": 0.424, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.551, "herg": 0.537, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.30584723564621, "aff_pf": -1.121991475423177, "aff_hs": -0.06515440344810486, "repeats_pf": {"runs": 3, "values": [-1.0479, -1.1528, -1.1653], "mean": -1.122, "spread": 0.1174}, "repeats_hs": {"runs": 3, "values": [0.0126, -0.1474, -0.0607], "mean": -0.0652, "spread": 0.1601}, "at": 1786890125}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876279, "scored_at": 1786890125, "alerts": [], "rank": 2507}, {"candidate_id": "ODC-A19B35", "res_at": 1788330286, "skeleton": "CGMUNIWEDRVWFP", "hf_user": "Bio-JS", "display_name": "0902-메톡시말단 HA32", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 45.471, "axes": {"activity": 14.46, "binding": 12.54, "selectivity": 9.51, "admet": 2.12, "novelty": 4.25, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.468, "fraction": 0.482}, "binding": {"pIC50": 6.91, "LE": 0.296, "potency_term": 0.636, "efficiency_cap": 0.986}, "selectivity": {"fold": 31.3, "selectivity_term": 0.748, "target_engagement": 0.636}, "admet": {"geometric_mean": 0.225, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.535, "herg": 0.05, "dili": 0.162}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.46774111548476, "aff_pf": -0.9076449672381083, "aff_hs": 0.5874647895495096, "repeats_pf": {"runs": 3, "values": [-0.7522, -1.0007, -0.97], "mean": -0.9076, "spread": 0.2485}, "repeats_hs": {"runs": 3, "values": [0.571, 0.7321, 0.4592], "mean": 0.5875, "spread": 0.2729}, "at": 1788330286}, "tier": 1, "alerts": [], "total_sd": 1.651, "total_ci95": [41.592, 47.992], "relegate_reason": [], "submitted_at": 1788327337, "scored_at": 1788330286, "rank": 2508}, {"candidate_id": "ODC-8E14EC", "res_at": 1789045314, "skeleton": "IENMIRGKQCXDGH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 45.468, "axes": {"activity": 13.54, "binding": 13.43, "selectivity": 8.49, "admet": 4.39, "novelty": 2.76, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.412, "fraction": 0.451}, "binding": {"pIC50": 7.01, "LE": 0.384, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.4, "selectivity_term": 0.632, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.46, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.412436422193235, "aff_pf": -1.013975699742635, "aff_hs": 0.2509787182013194, "repeats_pf": {"runs": 3, "values": [-1.0401, -0.9598, -1.042], "mean": -1.014, "spread": 0.0822}, "repeats_hs": {"runs": 3, "values": [0.2498, 0.2964, 0.2067], "mean": 0.251, "spread": 0.0897}, "at": 1789045314}, "tier": 1, "alerts": [], "total_sd": 0.551, "total_ci95": [44.256, 46.307], "relegate_reason": [], "submitted_at": 1789040446, "scored_at": 1789045314, "rank": 2509}, {"candidate_id": "ODC-138FF4", "res_at": 1786981915, "skeleton": "ATWOLRVZRKRNSL", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.467, "axes": {"activity": 14.01, "binding": 14.44, "selectivity": 5.03, "admet": 5.69, "novelty": 2.94, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.44, "fraction": 0.467}, "binding": {"pIC50": 7.17, "LE": 0.427, "potency_term": 0.722, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.632, "cyp3a4-substrate-carbonmangels": 0.197, "ld50-zhu": 0.439, "herg": 0.792, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.593, "novelty": 0.407}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.44034046554651, "aff_pf": -1.165301243464152, "aff_hs": -0.468802809715271, "repeats_pf": {"runs": 3, "values": [-1.0897, -1.122, -1.2842], "mean": -1.1653, "spread": 0.1946}, "repeats_hs": {"runs": 3, "values": [-0.4734, -0.4704, -0.4626], "mean": -0.4688, "spread": 0.0108}, "at": 1786981915}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979313, "scored_at": 1786981915, "alerts": [], "rank": 2510}, {"candidate_id": "ODC-4C3C6B", "res_at": 1789055238, "skeleton": "CZMXHXIRKUOSGU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 45.452, "axes": {"activity": 14.59, "binding": 14.51, "selectivity": 5.13, "admet": 5.3, "novelty": 2.56, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 7.18, "LE": 0.41, "potency_term": 0.725, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.354, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.546, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.464, "herg": 0.283, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.647, "novelty": 0.353}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.475327258859085, "aff_pf": -1.175973892211914, "aff_hs": -0.4683950146039327, "repeats_pf": {"runs": 3, "values": [-1.2564, -1.1871, -1.0845], "mean": -1.176, "spread": 0.1719}, "repeats_hs": {"runs": 3, "values": [-0.5449, -0.3676, -0.4927], "mean": -0.4684, "spread": 0.1773}, "at": 1789055238}, "tier": 1, "alerts": [], "total_sd": 0.91, "total_ci95": [43.519, 47.442], "relegate_reason": [], "submitted_at": 1789041146, "scored_at": 1789055238, "rank": 2511}, {"candidate_id": "ODC-15CA17", "res_at": 1787727960, "skeleton": "SFKDQCYASHEURK", "hf_user": "Moonweave", "display_name": "M5AI-P12-CN-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········N)c1F", "total": 45.446, "axes": {"activity": 17.51, "binding": 14.7, "selectivity": 2.63, "admet": 2.9, "novelty": 4.44, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.65, "fraction": 0.584}, "binding": {"pIC50": 7.2, "LE": 0.318, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.179, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.28, "ld50-zhu": 0.579, "herg": 0.093, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.650370102519304, "aff_pf": -1.204639236132304, "aff_hs": -0.846589724222819, "repeats_pf": {"runs": 3, "values": [-1.2209, -1.2957, -1.0972], "mean": -1.2046, "spread": 0.1985}, "repeats_hs": {"runs": 3, "values": [-0.8819, -0.8366, -0.8213], "mean": -0.8466, "spread": 0.0606}, "at": 1787727960}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726058, "scored_at": 1787727960, "alerts": [], "rank": 2512}, {"candidate_id": "ODC-E2397E", "res_at": 1786861987, "skeleton": "YOLBMMQQYNRAFN", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········nc2n1", "total": 45.443, "axes": {"activity": 11.05, "binding": 15.27, "selectivity": 6.52, "admet": 5.39, "novelty": 4.19, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.263, "fraction": 0.368}, "binding": {"pIC50": 7.29, "LE": 0.384, "potency_term": 0.763, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.427, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.659, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.511, "herg": 0.294, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.263273545054596, "aff_pf": -1.2904603878657024, "aff_hs": -0.43618400891621906, "repeats_pf": {"runs": 3, "values": [-1.2843, -1.2781, -1.309], "mean": -1.2905, "spread": 0.0309}, "repeats_hs": {"runs": 3, "values": [-0.495, -0.399, -0.4146], "mean": -0.4362, "spread": 0.0961}, "at": 1786861987}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855383, "scored_at": 1786861987, "alerts": [], "rank": 2513}, {"candidate_id": "ODC-D1EA89", "res_at": 1787887495, "skeleton": "NAWFSGHFOZGIPQ", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L21", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.437, "axes": {"activity": 9.11, "binding": 16.11, "selectivity": 7.54, "admet": 4.39, "novelty": 5.09, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.146, "fraction": 0.304}, "binding": {"pIC50": 7.42, "LE": 0.391, "potency_term": 0.806, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.468, "target_engagement": 0.806}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.535, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.146490807408496, "aff_pf": -1.417026956876119, "aff_hs": -0.4808317919572194, "repeats_pf": {"runs": 3, "values": [-1.497, -1.4585, -1.2955], "mean": -1.417, "spread": 0.2015}, "repeats_hs": {"runs": 3, "values": [-0.5205, -0.5331, -0.3888], "mean": -0.4808, "spread": 0.1443}, "at": 1787887495}, "tier": 1, "relegate_reason": [], "submitted_at": 1787822380, "scored_at": 1787887495, "alerts": [], "rank": 2514}, {"candidate_id": "ODC-4C1335", "res_at": 1787700650, "skeleton": "SJNJLWDVRHPVMQ", "hf_user": "Moonweave", "display_name": "M5AI-HAL-CAND-04", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 45.427, "axes": {"activity": 17.85, "binding": 13.82, "selectivity": 3.62, "admet": 3.01, "novelty": 3.97, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.671, "fraction": 0.595}, "binding": {"pIC50": 7.07, "LE": 0.334, "potency_term": 0.691, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.691}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.574}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.671075696074039, "aff_pf": -1.0727707147598267, "aff_hs": -0.5481676260630289, "repeats_pf": {"runs": 3, "values": [-1.082, -1.1296, -1.0068], "mean": -1.0728, "spread": 0.1228}, "repeats_hs": {"runs": 3, "values": [-0.5541, -0.5885, -0.5019], "mean": -0.5482, "spread": 0.0865}, "at": 1787700650}, "tier": 1, "relegate_reason": [], "submitted_at": 1787699961, "scored_at": 1787700650, "alerts": [], "rank": 2515}, {"candidate_id": "ODC-D8F3A6", "res_at": 1788582364, "skeleton": "DIYBWTALADJBGX", "hf_user": "Bio-JS", "display_name": "0905-S1-21 MeCF2/CN/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 45.421, "axes": {"activity": 14.28, "binding": 11.78, "selectivity": 10.3, "admet": 3.67, "novelty": 2.9, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.457, "fraction": 0.476}, "binding": {"pIC50": 6.77, "LE": 0.386, "potency_term": 0.589, "efficiency_cap": 1.0}, "selectivity": {"fold": 56.1, "selectivity_term": 0.874, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.415, "herg": 0.663, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.457039605263843, "aff_pf": -0.7669039765993754, "aff_hs": 0.9816840092341105, "repeats_pf": {"runs": 3, "values": [-0.7424, -0.7589, -0.7995], "mean": -0.7669, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [0.917, 0.99, 1.038], "mean": 0.9817, "spread": 0.1209}, "at": 1788582364}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [44.74, 46.206], "relegate_reason": [], "submitted_at": 1788560334, "scored_at": 1788582364, "rank": 2516}, {"candidate_id": "ODC-9417EA", "res_at": 1786958262, "skeleton": "DNTFNQSWYQANQC", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 45.402, "axes": {"activity": 16.08, "binding": 13.36, "selectivity": 4.94, "admet": 3.88, "novelty": 4.21, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 7.0, "LE": 0.369, "potency_term": 0.668, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.841, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.564709640010321, "aff_pf": -1.0042983690897624, "aff_hs": -0.2644629279772441, "repeats_pf": {"runs": 3, "values": [-0.9288, -1.0675, -1.0166], "mean": -1.0043, "spread": 0.1387}, "repeats_hs": {"runs": 3, "values": [-0.2671, -0.2318, -0.2944], "mean": -0.2645, "spread": 0.0626}, "at": 1786958262}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957397, "scored_at": 1786958262, "alerts": [], "rank": 2517}, {"candidate_id": "ODC-EC1BB2", "res_at": 1786940350, "skeleton": "RYQIKBXUGDZYIH", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.397, "axes": {"activity": 18.7, "binding": 12.15, "selectivity": 5.05, "admet": 3.43, "novelty": 3.59, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.722, "fraction": 0.623}, "binding": {"pIC50": 6.82, "LE": 0.36, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.834, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.7220065705845515, "aff_pf": -0.8231625358263651, "aff_hs": 0.007816354433695475, "repeats_pf": {"runs": 3, "values": [-0.783, -0.8177, -0.8687], "mean": -0.8232, "spread": 0.0857}, "repeats_hs": {"runs": 3, "values": [0.02, 0.0573, -0.0538], "mean": 0.0078, "spread": 0.1111}, "at": 1786940350}, "tier": 1, "relegate_reason": [], "submitted_at": 1786927876, "scored_at": 1786940350, "alerts": [], "rank": 2518}, {"candidate_id": "ODC-03AB00", "res_at": 1789565280, "skeleton": "NNHZPXILLNCYFS", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 45.383, "axes": {"activity": 15.14, "binding": 13.8, "selectivity": 5.52, "admet": 4.43, "novelty": 4.66, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.509, "fraction": 0.505}, "binding": {"pIC50": 7.07, "LE": 0.303, "potency_term": 0.69, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.345, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.588, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.749, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "0", "pAct_q10": 5.508568160086849, "aff_pf": -1.0697635412216187, "aff_hs": -0.2698594679435094, "repeats_pf": {"runs": 3, "values": [-1.0562, -1.0338, -1.1192], "mean": -1.0698, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [-0.2764, -0.4426, -0.0906], "mean": -0.2699, "spread": 0.352}, "at": 1789565280}, "tier": 1, "alerts": [], "total_sd": 0.737, "total_ci95": [43.975, 46.818], "relegate_reason": [], "submitted_at": 1789563191, "scored_at": 1789565280, "rank": 2519}, {"candidate_id": "ODC-8C967C", "res_at": 1789898075, "skeleton": "UHTWIGGITDCATE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 45.363, "axes": {"activity": 14.46, "binding": 14.93, "selectivity": 2.91, "admet": 5.65, "novelty": 4.04, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 7.24, "LE": 0.381, "potency_term": 0.747, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.714, "ld50-zhu": 0.534, "herg": 0.173, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.46747481904525, "aff_pf": -1.2397407690684001, "aff_hs": -0.8504961530367533, "repeats_pf": {"runs": 3, "values": [-1.2364, -1.256, -1.2269], "mean": -1.2397, "spread": 0.0291}, "repeats_hs": {"runs": 3, "values": [-0.7272, -0.781, -1.0433], "mean": -0.8505, "spread": 0.3161}, "at": 1789898075}, "tier": 1, "alerts": [], "total_sd": 0.665, "total_ci95": [43.924, 46.352], "relegate_reason": [], "submitted_at": 1789758144, "scored_at": 1789898075, "rank": 2520}, {"candidate_id": "ODC-7C2E2A", "res_at": 1787575408, "skeleton": "SDDHKSVDVXDQRH", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.336, "axes": {"activity": 12.93, "binding": 15.01, "selectivity": 7.62, "admet": 4.58, "novelty": 2.54, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 7.25, "LE": 0.368, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.639, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.657, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.662, "novelty": 0.338}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.375538417408793, "aff_pf": -1.2514137824376423, "aff_hs": -0.2364748219648997, "repeats_pf": {"runs": 3, "values": [-1.2252, -1.2773, -1.2518], "mean": -1.2514, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [-0.227, -0.2569, -0.2255], "mean": -0.2365, "spread": 0.0315}, "at": 1787575408}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575009, "scored_at": 1787575408, "alerts": [], "rank": 2521}, {"candidate_id": "ODC-24771F", "res_at": 1788082474, "skeleton": "VQMMZWXWJYJBMH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.33, "axes": {"activity": 16.69, "binding": 12.17, "selectivity": 6.47, "admet": 4.83, "novelty": 2.32, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.602, "fraction": 0.556}, "binding": {"pIC50": 6.83, "LE": 0.407, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.532, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.58, "cyp3a4-substrate-carbonmangels": 0.29, "ld50-zhu": 0.38, "herg": 0.511, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.618, "novelty": 0.382}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.6016825923611036, "aff_pf": -0.825288732846578, "aff_hs": 0.23829978704452515, "repeats_pf": {"runs": 3, "values": [-0.8932, -0.7845, -0.7982], "mean": -0.8253, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [0.1614, 0.3321, 0.2214], "mean": 0.2383, "spread": 0.1707}, "at": 1788082474}, "tier": 1, "alerts": [], "total_sd": 0.673, "total_ci95": [44.207, 46.824], "relegate_reason": [], "submitted_at": 1788063260, "scored_at": 1788082474, "rank": 2522}, {"candidate_id": "ODC-61A145", "res_at": 1788153228, "skeleton": "ULLQKSZIYZXAKZ", "hf_user": "Bio-JS", "display_name": "R3 C2 S-CH2CHF2 복제 (아닐린 3-Cl 섀시)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.329, "axes": {"activity": 16.9, "binding": 14.03, "selectivity": 3.8, "admet": 4.12, "novelty": 3.33, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.614, "fraction": 0.563}, "binding": {"pIC50": 7.1, "LE": 0.406, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.271, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.412, "herg": 0.203, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.614041239555724, "aff_pf": -1.1048678159713745, "aff_hs": -0.5633854568004608, "repeats_pf": {"runs": 3, "values": [-1.1643, -1.098, -1.0524], "mean": -1.1049, "spread": 0.1119}, "repeats_hs": {"runs": 3, "values": [-0.4819, -0.6849, -0.5234], "mean": -0.5634, "spread": 0.2031}, "at": 1788153228}, "tier": 1, "alerts": [], "total_sd": 0.595, "total_ci95": [44.173, 46.485], "relegate_reason": [], "submitted_at": 1788139432, "scored_at": 1788153228, "rank": 2523}, {"candidate_id": "ODC-32C2A9", "res_at": 1789897108, "skeleton": "SBXMWKVPSCIGMF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.328, "axes": {"activity": 17.06, "binding": 14.49, "selectivity": 2.01, "admet": 4.79, "novelty": 3.86, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.624, "fraction": 0.569}, "binding": {"pIC50": 7.17, "LE": 0.351, "potency_term": 0.725, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.864, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.569, "ld50-zhu": 0.655, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.623581251689821, "aff_pf": -1.1737171411514282, "aff_hs": -0.8966419696807861, "repeats_pf": {"runs": 3, "values": [-1.1076, -1.222, -1.1915], "mean": -1.1737, "spread": 0.1144}, "repeats_hs": {"runs": 3, "values": [-0.8788, -0.9043, -0.9068], "mean": -0.8966, "spread": 0.028}, "at": 1789897108}, "tier": 1, "alerts": [], "total_sd": 0.579, "total_ci95": [44.494, 46.313], "relegate_reason": [], "submitted_at": 1789758125, "scored_at": 1789897108, "rank": 2524}, {"candidate_id": "ODC-B1BC9C", "res_at": 1787383072, "skeleton": "BMOLTESDTPKRNR", "hf_user": "Ku-ku", "display_name": "Y9_arm_C1", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········nc2n1", "total": 45.307, "axes": {"activity": 23.16, "binding": 7.48, "selectivity": 1.92, "admet": 3.93, "novelty": 5.37, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.99, "fraction": 0.772}, "binding": {"pIC50": 6.22, "LE": 0.275, "potency_term": 0.408, "efficiency_cap": 0.917}, "selectivity": {"fold": 3.0, "selectivity_term": 0.235, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.313, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.827, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.989660631849166, "aff_pf": -0.22384262084960938, "aff_hs": 0.2466218521197637, "repeats_pf": {"runs": 3, "values": [-0.3727, -0.2519, -0.0469], "mean": -0.2238, "spread": 0.3258}, "repeats_hs": {"runs": 3, "values": [0.2417, 0.1869, 0.3113], "mean": 0.2466, "spread": 0.1244}, "at": 1787383072}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381508, "scored_at": 1787383072, "alerts": [], "rank": 2525}, {"candidate_id": "ODC-FB6310", "res_at": 1787012712, "skeleton": "MJIBLNTWPCNYGP", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-015 top-mask 80QC", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········2)CC1", "total": 45.305, "axes": {"activity": 18.85, "binding": 13.02, "selectivity": 3.7, "admet": 3.05, "novelty": 3.96, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.731, "fraction": 0.628}, "binding": {"pIC50": 7.11, "LE": 0.278, "potency_term": 0.702, "efficiency_cap": 0.927}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.617, "ld50-zhu": 0.814, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.730962846604371, "aff_pf": -1.1063573360443115, "aff_hs": -0.5799314379692078, "repeats_pf": {"runs": 3, "values": [-1.1808, -1.0552, -1.0831], "mean": -1.1064, "spread": 0.1256}, "repeats_hs": {"runs": 3, "values": [-0.5429, -0.6247, -0.5721], "mean": -0.5799, "spread": 0.0818}, "at": 1787012712}, "tier": 1, "relegate_reason": [], "submitted_at": 1787012496, "scored_at": 1787012712, "alerts": [], "rank": 2526}, {"candidate_id": "ODC-6B5857", "res_at": 1787315799, "skeleton": "GZLFHYSQJYWQSO", "hf_user": "takutoyo", "display_name": "PfD12-02", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 45.304, "axes": {"activity": 21.79, "binding": 9.02, "selectivity": 4.13, "admet": 2.95, "novelty": 5.1, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.907, "fraction": 0.726}, "binding": {"pIC50": 6.54, "LE": 0.264, "potency_term": 0.513, "efficiency_cap": 0.878}, "selectivity": {"fold": 6.4, "selectivity_term": 0.402, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.285, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.661, "ld50-zhu": 0.495, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.907263863980978, "aff_pf": -0.5398666659990946, "aff_hs": 0.26458550492922467, "repeats_pf": {"runs": 3, "values": [-0.5061, -0.8027, -0.3108], "mean": -0.5399, "spread": 0.4919}, "repeats_hs": {"runs": 3, "values": [0.2359, 0.2068, 0.3511], "mean": 0.2646, "spread": 0.1443}, "at": 1787315799}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315595, "scored_at": 1787315799, "alerts": [], "rank": 2527}, {"candidate_id": "ODC-BC870A", "res_at": 1789917187, "skeleton": "WIFYVDHUWBDEKV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.295, "axes": {"activity": 13.63, "binding": 14.76, "selectivity": 7.22, "admet": 4.65, "novelty": 1.81, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.454}, "binding": {"pIC50": 7.21, "LE": 0.395, "potency_term": 0.738, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.5, "selectivity_term": 0.489, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.318, "herg": 0.19, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.755, "novelty": 0.245}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.417555875210941, "aff_pf": -1.2139020363489788, "aff_hs": -0.23518641789754233, "repeats_pf": {"runs": 3, "values": [-1.2084, -1.2406, -1.1927], "mean": -1.2139, "spread": 0.0479}, "repeats_hs": {"runs": 3, "values": [-0.2155, -0.28, -0.21], "mean": -0.2352, "spread": 0.0699}, "at": 1789917187}, "tier": 1, "alerts": [], "total_sd": 0.289, "total_ci95": [44.779, 45.89], "relegate_reason": [], "submitted_at": 1789907028, "scored_at": 1789917187, "rank": 2528}, {"candidate_id": "ODC-96B628", "res_at": 1786843201, "skeleton": "FYRRPVFZMXLWNR", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 45.273, "axes": {"activity": 17.63, "binding": 12.63, "selectivity": 4.49, "admet": 4.27, "novelty": 3.27, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.658, "fraction": 0.588}, "binding": {"pIC50": 6.9, "LE": 0.429, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.356, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.341, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.462, "herg": 0.154, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "2", "pAct_q10": 5.657564642559676, "aff_pf": -0.8951382040977478, "aff_hs": -0.18399977684020996, "repeats_pf": {"runs": 3, "values": [-0.8677, -0.9013, -0.9164], "mean": -0.8951, "spread": 0.0487}, "repeats_hs": {"runs": 3, "values": [-0.122, -0.2302, -0.1997], "mean": -0.184, "spread": 0.1082}, "at": 1786843201}, "tier": 1, "relegate_reason": [], "submitted_at": 1786811251, "scored_at": 1786843201, "alerts": [], "rank": 2529}, {"candidate_id": "ODC-EE9177", "res_at": 1789104556, "skeleton": "ZZOGESKGNAXTHX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 45.262, "axes": {"activity": 11.38, "binding": 13.99, "selectivity": 8.76, "admet": 5.09, "novelty": 2.92, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.283, "fraction": 0.379}, "binding": {"pIC50": 7.1, "LE": 0.405, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.9, "selectivity_term": 0.627, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.642, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.411, "herg": 0.59, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.282941275454558, "aff_pf": -1.0979705055554707, "aff_hs": 0.1550959919889768, "repeats_pf": {"runs": 3, "values": [-0.9925, -1.0922, -1.2092], "mean": -1.098, "spread": 0.2167}, "repeats_hs": {"runs": 3, "values": [-0.0894, 0.2941, 0.2605], "mean": 0.1551, "spread": 0.3835}, "at": 1789104556}, "tier": 1, "alerts": [], "total_sd": 1.378, "total_ci95": [42.82, 47.875], "relegate_reason": [], "submitted_at": 1789093437, "scored_at": 1789104556, "rank": 2530}, {"candidate_id": "ODC-6051A8", "res_at": 1787731706, "skeleton": "DJYLNDONGSGFJX", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5Cl-YF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 45.26, "axes": {"activity": 28.81, "binding": 2.75, "selectivity": 0.0, "admet": 3.29, "novelty": 6.4, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 6.329, "fraction": 0.96}, "binding": {"pIC50": 5.54, "LE": 0.23, "potency_term": 0.18, "efficiency_cap": 0.766}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.228, "per_endpoint": {"solubility-aqsoldb": 0.066, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.052, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.328580405980621, "aff_pf": 0.4614008367061615, "aff_hs": 0.11442248523235321, "repeats_pf": {"runs": 3, "values": [0.5146, 0.6427, 0.2269], "mean": 0.4614, "spread": 0.4158}, "repeats_hs": {"runs": 3, "values": [0.1373, -0.0799, 0.2859], "mean": 0.1144, "spread": 0.3658}, "at": 1787731706}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728358, "scored_at": 1787731706, "alerts": [], "rank": 2531}, {"candidate_id": "ODC-A1B424", "res_at": 1789892580, "skeleton": "RFFMDKUTKASZIH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 45.257, "axes": {"activity": 19.59, "binding": 12.88, "selectivity": 2.86, "admet": 3.43, "novelty": 3.79, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.776, "fraction": 0.653}, "binding": {"pIC50": 6.93, "LE": 0.327, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.816, "ld50-zhu": 0.595, "herg": 0.052, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.775542278946482, "aff_pf": -0.9319942196210226, "aff_hs": -0.4871237377325694, "repeats_pf": {"runs": 3, "values": [-0.9599, -0.8921, -0.944], "mean": -0.932, "spread": 0.0679}, "repeats_hs": {"runs": 3, "values": [-0.4325, -0.5235, -0.5054], "mean": -0.4871, "spread": 0.091}, "at": 1789892580}, "tier": 1, "alerts": [], "total_sd": 0.285, "total_ci95": [44.681, 45.747], "relegate_reason": [], "submitted_at": 1789657810, "scored_at": 1789892580, "rank": 2532}, {"candidate_id": "ODC-CFAD1D", "res_at": 1788584358, "skeleton": "MDNPFKHXKLEEJO", "hf_user": "Bio-JS", "display_name": "0905-S1-23 SEt/CN/Br/Me", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 45.254, "axes": {"activity": 15.29, "binding": 12.22, "selectivity": 7.56, "admet": 3.75, "novelty": 3.72, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.51}, "binding": {"pIC50": 6.83, "LE": 0.407, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.407, "herg": 0.294, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.517130422359587, "aff_pf": -0.8332560062408447, "aff_hs": 0.40467257301012677, "repeats_pf": {"runs": 3, "values": [-0.8136, -0.7948, -0.8914], "mean": -0.8333, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [0.3924, 0.3248, 0.4968], "mean": 0.4047, "spread": 0.172}, "at": 1788584358}, "tier": 1, "alerts": [], "total_sd": 0.584, "total_ci95": [44.326, 46.554], "relegate_reason": [], "submitted_at": 1788560398, "scored_at": 1788584358, "rank": 2533}, {"candidate_id": "ODC-56C0AA", "res_at": 1788165739, "skeleton": "GRNWRJVFGWLGTL", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.251, "axes": {"activity": 14.05, "binding": 12.7, "selectivity": 8.32, "admet": 5.05, "novelty": 2.63, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.468}, "binding": {"pIC50": 6.91, "LE": 0.394, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.4, "selectivity_term": 0.655, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.935, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.865, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.28, "herg": 0.921, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.442869818272445, "aff_pf": -0.9054036537806193, "aff_hs": 0.4052891433238983, "repeats_pf": {"runs": 3, "values": [-0.9016, -0.9662, -0.8484], "mean": -0.9054, "spread": 0.1178}, "repeats_hs": {"runs": 3, "values": [0.412, 0.3852, 0.4186], "mean": 0.4053, "spread": 0.0334}, "at": 1788165739}, "tier": 1, "alerts": [], "total_sd": 0.588, "total_ci95": [44.021, 46.586], "relegate_reason": [], "submitted_at": 1788165368, "scored_at": 1788165739, "rank": 2534}, {"candidate_id": "ODC-92AF85", "res_at": 1787546826, "skeleton": "CQQGHXXNVJCKLA", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 45.239, "axes": {"activity": 16.11, "binding": 10.93, "selectivity": 9.82, "admet": 2.76, "novelty": 3.62, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 6.88, "LE": 0.262, "potency_term": 0.626, "efficiency_cap": 0.873}, "selectivity": {"fold": 36.9, "selectivity_term": 0.784, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.449, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.779, "ld50-zhu": 0.631, "herg": 0.05, "dili": 0.097}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 5.566593627486314, "aff_pf": -0.8794460892677307, "aff_hs": 0.6876977284749349, "repeats_pf": {"runs": 3, "values": [-0.8482, -0.8862, -0.9039], "mean": -0.8794, "spread": 0.0557}, "repeats_hs": {"runs": 3, "values": [0.5814, 0.785, 0.6966], "mean": 0.6877, "spread": 0.2036}, "at": 1787546826}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523344, "scored_at": 1787546826, "alerts": [], "rank": 2535}, {"candidate_id": "ODC-D03AEA", "res_at": 1787491854, "skeleton": "DVOYDUOHLYKINY", "hf_user": "takutoyo", "display_name": "PfD15-02", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Si](C··········nc2n1", "total": 45.207, "axes": {"activity": 13.52, "binding": 11.35, "selectivity": 8.78, "admet": 6.3, "novelty": 3.44, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.451}, "binding": {"pIC50": 6.7, "LE": 0.367, "potency_term": 0.568, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.2, "selectivity_term": 0.773, "target_engagement": 0.568}, "admet": {"geometric_mean": 0.74, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.799, "cyp3a4-substrate-carbonmangels": 0.732, "ld50-zhu": 0.51, "herg": 0.825, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 5.411423144495048, "aff_pf": -0.7029806772867838, "aff_hs": 0.843671182791392, "repeats_pf": {"runs": 3, "values": [-0.6881, -0.7363, -0.6846], "mean": -0.703, "spread": 0.0517}, "repeats_hs": {"runs": 3, "values": [0.8336, 0.8461, 0.8514], "mean": 0.8437, "spread": 0.0178}, "at": 1787491854}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787491473, "scored_at": 1787491854, "rank": 2536}, {"candidate_id": "ODC-E245C4", "res_at": 1788907771, "skeleton": "FLXLCZLJYOEZOL", "hf_user": "Bio-JS", "display_name": "0909-S1-17", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.204, "axes": {"activity": 14.59, "binding": 13.0, "selectivity": 6.37, "admet": 5.04, "novelty": 3.25, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 6.95, "LE": 0.381, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.49, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.595, "ld50-zhu": 0.524, "herg": 0.302, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.475404170245409, "aff_pf": -0.9504764874776205, "aff_hs": 0.029692500829696655, "repeats_pf": {"runs": 3, "values": [-0.9728, -0.9787, -0.9], "mean": -0.9505, "spread": 0.0787}, "repeats_hs": {"runs": 3, "values": [0.0732, 0.0743, -0.0584], "mean": 0.0297, "spread": 0.1327}, "at": 1788907771}, "tier": 1, "alerts": [], "total_sd": 0.52, "total_ci95": [44.092, 46.08], "relegate_reason": [], "submitted_at": 1788902828, "scored_at": 1788907771, "rank": 2537}, {"candidate_id": "ODC-413202", "res_at": 1788172864, "skeleton": "KMRUJNLERFOMLK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220ㅇ", "model_name": "OpenAI CodexpenAI Codexㅡ", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.199, "axes": {"activity": 12.78, "binding": 16.14, "selectivity": 4.1, "admet": 4.74, "novelty": 3.97, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 7.42, "LE": 0.391, "potency_term": 0.807, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.254, "target_engagement": 0.807}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.2, "cyp3a4-substrate-carbonmangels": 0.059, "ld50-zhu": 0.539, "herg": 0.258, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.366981955337456, "aff_pf": -1.4204893906911213, "aff_hs": -0.9119618733723959, "repeats_pf": {"runs": 3, "values": [-1.3902, -1.4316, -1.4396], "mean": -1.4205, "spread": 0.0494}, "repeats_hs": {"runs": 3, "values": [-0.9192, -0.8838, -0.9329], "mean": -0.912, "spread": 0.0491}, "at": 1788172864}, "tier": 1, "alerts": [], "total_sd": 0.297, "total_ci95": [44.552, 45.648], "relegate_reason": [], "submitted_at": 1788172516, "scored_at": 1788172864, "rank": 2538}, {"candidate_id": "ODC-2675E4", "res_at": 1789383201, "skeleton": "RGFZXTNPVDSLLG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 45.183, "axes": {"activity": 13.1, "binding": 14.56, "selectivity": 6.58, "admet": 3.98, "novelty": 3.88, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.437}, "binding": {"pIC50": 7.18, "LE": 0.379, "potency_term": 0.728, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.728}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.685, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.385934197924776, "aff_pf": -1.1845012505849202, "aff_hs": -0.2809568593899409, "repeats_pf": {"runs": 3, "values": [-1.206, -1.1655, -1.182], "mean": -1.1845, "spread": 0.0404}, "repeats_hs": {"runs": 3, "values": [-0.0988, -0.1758, -0.5682], "mean": -0.281, "spread": 0.4694}, "at": 1789383201}, "tier": 1, "alerts": [], "total_sd": 0.928, "total_ci95": [42.924, 46.634], "relegate_reason": [], "submitted_at": 1789365900, "scored_at": 1789383201, "rank": 2539}, {"candidate_id": "ODC-72D19D", "res_at": 1789942369, "skeleton": "GBWHORIJCVXUDP", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.159, "axes": {"activity": 17.95, "binding": 10.25, "selectivity": 6.45, "admet": 4.95, "novelty": 2.83, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.598}, "binding": {"pIC50": 6.54, "LE": 0.407, "potency_term": 0.513, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.481, "herg": 0.994, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.6768922407356195, "aff_pf": -0.5382065176963806, "aff_hs": 0.7204129497210184, "repeats_pf": {"runs": 3, "values": [-0.5864, -0.5052, -0.523], "mean": -0.5382, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [0.6008, 0.848, 0.7124], "mean": 0.7204, "spread": 0.2472}, "at": 1789942369}, "tier": 1, "alerts": [], "total_sd": 0.447, "total_ci95": [44.314, 46.024], "relegate_reason": [], "submitted_at": 1789828727, "scored_at": 1789942369, "rank": 2540}, {"candidate_id": "ODC-F418E9", "res_at": 1789991143, "skeleton": "SWVCNAOIXVQBTC", "hf_user": "Bio-JS", "display_name": "0921-S1-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 45.148, "axes": {"activity": 13.92, "binding": 12.87, "selectivity": 7.15, "admet": 4.48, "novelty": 4.03, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.435, "fraction": 0.464}, "binding": {"pIC50": 6.93, "LE": 0.38, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.556, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.985, "cyp2c9-veith": 0.45, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.458, "herg": 0.313, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.435094670508761, "aff_pf": -0.9303340713183085, "aff_hs": 0.1815571735302607, "repeats_pf": {"runs": 3, "values": [-0.9304, -0.9148, -0.9457], "mean": -0.9303, "spread": 0.0309}, "repeats_hs": {"runs": 3, "values": [0.1852, 0.156, 0.2035], "mean": 0.1816, "spread": 0.0475}, "at": 1789991143}, "tier": 1, "alerts": [], "total_sd": 0.173, "total_ci95": [44.814, 45.497], "relegate_reason": [], "submitted_at": 1789989733, "scored_at": 1789991143, "rank": 2541}, {"candidate_id": "ODC-FB1AC4", "res_at": 1788223150, "skeleton": "ZSXNESYNWCVYCT", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cn1", "total": 45.135, "axes": {"activity": 10.38, "binding": 14.89, "selectivity": 9.02, "admet": 5.76, "novelty": 2.15, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.223, "fraction": 0.346}, "binding": {"pIC50": 7.23, "LE": 0.396, "potency_term": 0.745, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.745}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.693, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.351, "herg": 0.508, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.712, "novelty": 0.288}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.222554043053491, "aff_pf": -1.2339123487472534, "aff_hs": -0.023185737431049347, "repeats_pf": {"runs": 3, "values": [-1.2534, -1.1953, -1.253], "mean": -1.2339, "spread": 0.0581}, "repeats_hs": {"runs": 3, "values": [-0.1392, -0.0152, 0.0849], "mean": -0.0232, "spread": 0.2241}, "at": 1788223150}, "tier": 1, "alerts": [], "total_sd": 0.516, "total_ci95": [44.139, 46.143], "relegate_reason": [], "submitted_at": 1788165375, "scored_at": 1788223150, "rank": 2542}, {"candidate_id": "ODC-4B881B", "res_at": 1788917091, "skeleton": "VIJOULQBBJBUFM", "hf_user": "Bio-JS", "display_name": "0909-S1-25", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.131, "axes": {"activity": 12.8, "binding": 12.56, "selectivity": 9.66, "admet": 4.56, "novelty": 2.78, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 6.88, "LE": 0.429, "potency_term": 0.628, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.5, "selectivity_term": 0.769, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.228, "ld50-zhu": 0.405, "herg": 0.638, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.558, "novelty": 0.442}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.3679648985365525, "aff_pf": -0.8844265341758728, "aff_hs": 0.6530981659889221, "repeats_pf": {"runs": 3, "values": [-0.8511, -0.9175, -0.8846], "mean": -0.8844, "spread": 0.0664}, "repeats_hs": {"runs": 3, "values": [0.6986, 0.7447, 0.516], "mean": 0.6531, "spread": 0.2287}, "at": 1788917091}, "tier": 1, "alerts": [], "total_sd": 0.539, "total_ci95": [44.14, 46.136], "relegate_reason": [], "submitted_at": 1788903020, "scored_at": 1788917091, "rank": 2543}, {"candidate_id": "ODC-20AE02", "res_at": 1787380471, "skeleton": "GRTAMJYETGSBHE", "hf_user": "1Dmeds", "display_name": "ODC26-G30", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)c1C", "total": 45.124, "axes": {"activity": 23.46, "binding": 10.32, "selectivity": 0.3, "admet": 2.65, "novelty": 5.43, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 6.007, "fraction": 0.782}, "binding": {"pIC50": 6.8, "LE": 0.259, "potency_term": 0.599, "efficiency_cap": 0.862}, "selectivity": {"fold": 1.1, "selectivity_term": 0.025, "target_engagement": 0.599}, "admet": {"geometric_mean": 0.226, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.366, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.007326449412078, "aff_pf": -0.7958050966262817, "aff_hs": -0.7450149854024252, "repeats_pf": {"runs": 3, "values": [-0.6732, -0.7889, -0.9253], "mean": -0.7958, "spread": 0.2521}, "repeats_hs": {"runs": 3, "values": [-0.6923, -0.6612, -0.8815], "mean": -0.745, "spread": 0.2203}, "at": 1787380471}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372854, "scored_at": 1787380471, "alerts": [], "rank": 2544}, {"candidate_id": "ODC-452EB8", "res_at": 1787155594, "skeleton": "RTNPVOWFHZAEQQ", "hf_user": "takutoyo", "display_name": "PfD8-B4", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 45.105, "axes": {"activity": 20.0, "binding": 12.22, "selectivity": 1.69, "admet": 4.09, "novelty": 4.34, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.8, "fraction": 0.667}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.065, "cyp3a4-substrate-carbonmangels": 0.726, "ld50-zhu": 0.788, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.799949634614618, "aff_pf": -0.8331598043441772, "aff_hs": -0.5565717021624247, "repeats_pf": {"runs": 3, "values": [-0.8353, -0.8158, -0.8484], "mean": -0.8332, "spread": 0.0326}, "repeats_hs": {"runs": 3, "values": [-0.4914, -0.5365, -0.6418], "mean": -0.5566, "spread": 0.1504}, "at": 1787155594}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148096, "scored_at": 1787155594, "alerts": [], "rank": 2545}, {"candidate_id": "ODC-29B7A8", "res_at": 1788515173, "skeleton": "FJUPWZLRBDZGFZ", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW MeCF2/Cl/p-OCF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 45.092, "axes": {"activity": 12.74, "binding": 14.72, "selectivity": 6.57, "admet": 4.38, "novelty": 3.36, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.425}, "binding": {"pIC50": 7.21, "LE": 0.38, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.589, "ld50-zhu": 0.384, "herg": 0.147, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.364321104587488, "aff_pf": -1.2077579895655315, "aff_hs": -0.3151610891024272, "repeats_pf": {"runs": 3, "values": [-1.3005, -1.1243, -1.1985], "mean": -1.2078, "spread": 0.1762}, "repeats_hs": {"runs": 3, "values": [-0.3706, -0.2781, -0.2967], "mean": -0.3152, "spread": 0.0925}, "at": 1788515173}, "tier": 1, "alerts": [], "total_sd": 0.941, "total_ci95": [43.59, 47.21], "relegate_reason": [], "submitted_at": 1788487387, "scored_at": 1788515173, "rank": 2546}, {"candidate_id": "ODC-199DF7", "res_at": 1787187316, "skeleton": "SSCWEPKYCCYNAB", "hf_user": "Ku-ku", "display_name": "L8b_vinyl_SCHF2_morphMePh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 45.085, "axes": {"activity": 25.5, "binding": 3.63, "selectivity": 0.97, "admet": 5.88, "novelty": 5.42, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.13, "fraction": 0.85}, "binding": {"pIC50": 5.62, "LE": 0.265, "potency_term": 0.205, "efficiency_cap": 0.884}, "selectivity": {"fold": 3.0, "selectivity_term": 0.235, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.512, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.815, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 6.130236640893591, "aff_pf": 0.3840354084968567, "aff_hs": 0.8541952967643738, "repeats_pf": {"runs": 3, "values": [0.8647, 0.2355, 0.0519], "mean": 0.384, "spread": 0.8128}, "repeats_hs": {"runs": 3, "values": [0.8194, 0.8049, 0.9383], "mean": 0.8542, "spread": 0.1334}, "at": 1787187316}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184111, "scored_at": 1787187316, "alerts": [], "rank": 2547}, {"candidate_id": "ODC-23EB68", "res_at": 1788145085, "skeleton": "KNTNQYCBHXJANV", "hf_user": "Bio-JS", "display_name": "L3 음성대조 링커 삭제(직접 바이아릴)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········nc2n1", "total": 45.082, "axes": {"activity": 25.76, "binding": 3.05, "selectivity": 0.43, "admet": 6.02, "novelty": 5.86, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.145, "fraction": 0.859}, "binding": {"pIC50": 5.46, "LE": 0.34, "potency_term": 0.152, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.152}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.558, "ld50-zhu": 0.249, "herg": 0.881, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 6.145304874953947, "aff_pf": 0.5429529349009196, "aff_hs": 0.8258865475654602, "repeats_pf": {"runs": 3, "values": [0.5399, 0.5119, 0.5771], "mean": 0.543, "spread": 0.0652}, "repeats_hs": {"runs": 3, "values": [0.8174, 0.7225, 0.9377], "mean": 0.8259, "spread": 0.2153}, "at": 1788145085}, "tier": 1, "alerts": [], "total_sd": 0.147, "total_ci95": [44.827, 45.355], "relegate_reason": [], "submitted_at": 1788139308, "scored_at": 1788145085, "rank": 2548}, {"candidate_id": "ODC-01C36C", "res_at": 1789971362, "skeleton": "LBVSNJXNWPGJSC", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.04, "axes": {"activity": 13.54, "binding": 14.99, "selectivity": 6.01, "admet": 4.32, "novelty": 3.62, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.413, "fraction": 0.451}, "binding": {"pIC50": 7.25, "LE": 0.397, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.401, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.1, "ld50-zhu": 0.503, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "2", "pAct_q10": 5.412651131686973, "aff_pf": -1.248928189277649, "aff_hs": -0.44665032625198364, "repeats_pf": {"runs": 3, "values": [-1.2874, -1.2303, -1.2291], "mean": -1.2489, "spread": 0.0583}, "repeats_hs": {"runs": 3, "values": [-0.4498, -0.4695, -0.4207], "mean": -0.4467, "spread": 0.0488}, "at": 1789971362}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [44.503, 45.872], "relegate_reason": [], "submitted_at": 1789918955, "scored_at": 1789971362, "rank": 2549}, {"candidate_id": "ODC-6B8553", "res_at": 1786946232, "skeleton": "WSZCXISOURGGNV", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 45.025, "axes": {"activity": 18.22, "binding": 13.06, "selectivity": 4.64, "admet": 2.71, "novelty": 3.57, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 6.96, "LE": 0.367, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.355, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.561, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.892, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.6932969151593555, "aff_pf": -0.9589837392171224, "aff_hs": -0.24886072178681692, "repeats_pf": {"runs": 3, "values": [-0.859, -1.1332, -0.8848], "mean": -0.959, "spread": 0.2742}, "repeats_hs": {"runs": 3, "values": [-0.3185, -0.2058, -0.2222], "mean": -0.2489, "spread": 0.1127}, "at": 1786946232}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934295, "scored_at": 1786946232, "alerts": [], "rank": 2550}, {"candidate_id": "ODC-DAC387", "res_at": 1787043412, "skeleton": "AHRNZEXGJUDEMA", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 45.022, "axes": {"activity": 16.19, "binding": 11.69, "selectivity": 7.45, "admet": 3.71, "novelty": 3.54, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.571, "fraction": 0.54}, "binding": {"pIC50": 6.75, "LE": 0.421, "potency_term": 0.585, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.8, "selectivity_term": 0.637, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.963, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.423, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.571136278680125, "aff_pf": -0.7537944515546163, "aff_hs": 0.520750880241394, "repeats_pf": {"runs": 3, "values": [-0.7146, -0.7788, -0.7679], "mean": -0.7538, "spread": 0.0642}, "repeats_hs": {"runs": 3, "values": [0.6688, 0.3825, 0.5109], "mean": 0.5208, "spread": 0.2863}, "at": 1787043412}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038339, "scored_at": 1787043412, "alerts": [], "rank": 2551}, {"candidate_id": "ODC-94A354", "res_at": 1786943912, "skeleton": "SNSFADSGDQAYEZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 45.019, "axes": {"activity": 18.4, "binding": 12.14, "selectivity": 4.51, "admet": 3.69, "novelty": 3.68, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.704, "fraction": 0.613}, "binding": {"pIC50": 6.82, "LE": 0.346, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.372, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.846, "ld50-zhu": 0.571, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.70389879931507, "aff_pf": -0.8210487763086954, "aff_hs": -0.07736847301324208, "repeats_pf": {"runs": 3, "values": [-0.8071, -0.7973, -0.8587], "mean": -0.821, "spread": 0.0613}, "repeats_hs": {"runs": 3, "values": [-0.0037, -0.1112, -0.1171], "mean": -0.0774, "spread": 0.1134}, "at": 1786943912}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934263, "scored_at": 1786943912, "alerts": [], "rank": 2552}, {"candidate_id": "ODC-1CD141", "res_at": 1787638719, "skeleton": "AIEMJMITIAQGEC", "hf_user": "Moonweave", "display_name": "M5AI-LOC-CAND-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········C2)s1", "total": 45.018, "axes": {"activity": 17.05, "binding": 13.26, "selectivity": 5.32, "admet": 3.1, "novelty": 3.0, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 6.99, "LE": 0.342, "potency_term": 0.663, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.401, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.338, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.623240932687358, "aff_pf": -0.9894255598386129, "aff_hs": -0.1875354548295339, "repeats_pf": {"runs": 3, "values": [-0.9875, -1.0578, -0.9229], "mean": -0.9894, "spread": 0.1349}, "repeats_hs": {"runs": 3, "values": [-0.1733, -0.1066, -0.2827], "mean": -0.1875, "spread": 0.176}, "at": 1787638719}, "tier": 1, "relegate_reason": [], "submitted_at": 1787636306, "scored_at": 1787638719, "alerts": [], "rank": 2553}, {"candidate_id": "ODC-90F260", "res_at": 1788063563, "skeleton": "FZLWSLVPYRUSTG", "hf_user": "Bio-JS", "display_name": "13 A6 오쏘 2-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 45.012, "axes": {"activity": 21.07, "binding": 9.83, "selectivity": 3.39, "admet": 3.16, "novelty": 4.58, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.864, "fraction": 0.702}, "binding": {"pIC50": 6.73, "LE": 0.256, "potency_term": 0.576, "efficiency_cap": 0.854}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.576}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.456, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.203, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.86444449134575, "aff_pf": -0.7284239133199056, "aff_hs": -0.13921359926462173, "repeats_pf": {"runs": 3, "values": [-0.675, -0.7387, -0.7715], "mean": -0.7284, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [-0.0895, -0.1194, -0.2087], "mean": -0.1392, "spread": 0.1192}, "at": 1788063563}, "tier": 1, "alerts": [], "total_sd": 0.379, "total_ci95": [44.313, 45.837], "relegate_reason": [], "submitted_at": 1788017394, "scored_at": 1788063563, "rank": 2554}, {"candidate_id": "ODC-DD6AD9", "res_at": 1788087138, "skeleton": "JQOQILUVTKONNW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········)n2n1", "total": 44.991, "axes": {"activity": 14.67, "binding": 12.33, "selectivity": 6.69, "admet": 5.08, "novelty": 3.44, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 6.85, "LE": 0.391, "potency_term": 0.617, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.446, "herg": 0.551, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.480366024526716, "aff_pf": -0.8498317201932272, "aff_hs": 0.23564064999421439, "repeats_pf": {"runs": 3, "values": [-0.8045, -0.8537, -0.8914], "mean": -0.8498, "spread": 0.0869}, "repeats_hs": {"runs": 3, "values": [0.23, 0.1849, 0.292], "mean": 0.2356, "spread": 0.1071}, "at": 1788087138}, "tier": 1, "alerts": [], "total_sd": 0.499, "total_ci95": [44.066, 45.934], "relegate_reason": [], "submitted_at": 1788080429, "scored_at": 1788087138, "rank": 2555}, {"candidate_id": "ODC-369773", "res_at": 1788496396, "skeleton": "YDOGNDMKVKSUFH", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.989, "axes": {"activity": 10.21, "binding": 14.13, "selectivity": 10.3, "admet": 4.34, "novelty": 2.73, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.212, "fraction": 0.34}, "binding": {"pIC50": 7.12, "LE": 0.39, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.7, "selectivity_term": 0.729, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.364, "herg": 0.15, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.2123841920596075, "aff_pf": -1.1188674767812092, "aff_hs": 0.3396386007467906, "repeats_pf": {"runs": 3, "values": [-1.1627, -1.1932, -1.0007], "mean": -1.1189, "spread": 0.1926}, "repeats_hs": {"runs": 3, "values": [0.2273, 0.3317, 0.4599], "mean": 0.3396, "spread": 0.2326}, "at": 1788496396}, "tier": 1, "alerts": [], "total_sd": 1.197, "total_ci95": [42.208, 47.073], "relegate_reason": [], "submitted_at": 1788433946, "scored_at": 1788496396, "rank": 2556}, {"candidate_id": "ODC-C8B8D9", "res_at": 1786927582, "skeleton": "CZWYLQFPPQNEAO", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2OMe-C5Cl-C6F-4CF2Me", "model_name": "ODC-2026-R6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 44.983, "axes": {"activity": 9.33, "binding": 14.26, "selectivity": 9.21, "admet": 5.12, "novelty": 4.14, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.16, "fraction": 0.311}, "binding": {"pIC50": 7.14, "LE": 0.391, "potency_term": 0.713, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.6, "selectivity_term": 0.646, "target_engagement": 0.713}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.296, "herg": 0.496, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.159885676525955, "aff_pf": -1.1396089394887288, "aff_hs": 0.15229027221600214, "repeats_pf": {"runs": 3, "values": [-1.1296, -1.1391, -1.1501], "mean": -1.1396, "spread": 0.0205}, "repeats_hs": {"runs": 3, "values": [0.067, 0.1166, 0.2733], "mean": 0.1523, "spread": 0.2063}, "at": 1786927582}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923863, "scored_at": 1786927582, "alerts": [], "rank": 2557}, {"candidate_id": "ODC-58146A", "res_at": 1789438265, "skeleton": "ANVKLWCXJXNFNV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCc1cc··········)cc1F", "total": 44.98, "axes": {"activity": 9.22, "binding": 14.61, "selectivity": 8.06, "admet": 5.52, "novelty": 4.72, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.153, "fraction": 0.307}, "binding": {"pIC50": 7.19, "LE": 0.394, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.552, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.86, "cyp3a4-substrate-carbonmangels": 0.219, "ld50-zhu": 0.386, "herg": 0.181, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.153255097710926, "aff_pf": -1.1916627486546834, "aff_hs": -0.08827885364492734, "repeats_pf": {"runs": 3, "values": [-1.2124, -1.1509, -1.2118], "mean": -1.1917, "spread": 0.0615}, "repeats_hs": {"runs": 3, "values": [-0.2557, 0.0389, -0.0481], "mean": -0.0883, "spread": 0.2947}, "at": 1789438265}, "tier": 1, "alerts": [], "total_sd": 0.627, "total_ci95": [43.788, 46.191], "relegate_reason": [], "submitted_at": 1789435578, "scored_at": 1789438265, "rank": 2558}, {"candidate_id": "ODC-FEE011", "res_at": 1789898971, "skeleton": "IGQRTOCJBOVICV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.963, "axes": {"activity": 15.49, "binding": 14.36, "selectivity": 3.54, "admet": 4.74, "novelty": 3.88, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.53, "fraction": 0.516}, "binding": {"pIC50": 7.15, "LE": 0.35, "potency_term": 0.718, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.718}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.968, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.578, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.5295202495536415, "aff_pf": -1.1542321840922039, "aff_hs": -0.6609352032343546, "repeats_pf": {"runs": 3, "values": [-1.1781, -1.1431, -1.1415], "mean": -1.1542, "spread": 0.0367}, "repeats_hs": {"runs": 3, "values": [-0.5889, -0.8282, -0.5657], "mean": -0.6609, "spread": 0.2624}, "at": 1789898971}, "tier": 1, "alerts": [], "total_sd": 0.506, "total_ci95": [43.773, 45.794], "relegate_reason": [], "submitted_at": 1789758156, "scored_at": 1789898971, "rank": 2559}, {"candidate_id": "ODC-233F79", "res_at": 1787380257, "skeleton": "IGCFAUKYZLGOLD", "hf_user": "1Dmeds", "display_name": "ODC26-G29", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········2)CC1", "total": 44.951, "axes": {"activity": 28.28, "binding": 2.29, "selectivity": 0.0, "admet": 4.17, "novelty": 6.59, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.297, "fraction": 0.943}, "binding": {"pIC50": 5.49, "LE": 0.209, "potency_term": 0.165, "efficiency_cap": 0.697}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.165}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.095, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.938, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.296945013447083, "aff_pf": 0.5061354637145996, "aff_hs": -0.18496055901050568, "repeats_pf": {"runs": 3, "values": [0.67, 0.2767, 0.5717], "mean": 0.5061, "spread": 0.3934}, "repeats_hs": {"runs": 3, "values": [-0.1189, -0.1866, -0.2494], "mean": -0.185, "spread": 0.1304}, "at": 1787380257}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372847, "scored_at": 1787380257, "alerts": [], "rank": 2560}, {"candidate_id": "ODC-835ABC", "res_at": 1786958075, "skeleton": "JZXJXYLASYFQSF", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 44.95, "axes": {"activity": 13.5, "binding": 14.1, "selectivity": 6.47, "admet": 3.7, "novelty": 4.19, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 7.11, "LE": 0.375, "potency_term": 0.705, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.066, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.854, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.355, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.41019074511384, "aff_pf": -1.1148964564005535, "aff_hs": -0.19743228952089945, "repeats_pf": {"runs": 3, "values": [-1.1433, -1.0992, -1.1022], "mean": -1.1149, "spread": 0.0441}, "repeats_hs": {"runs": 3, "values": [-0.1377, -0.1664, -0.2883], "mean": -0.1974, "spread": 0.1506}, "at": 1786958075}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957389, "scored_at": 1786958075, "alerts": [], "rank": 2561}, {"candidate_id": "ODC-8A8DA2", "res_at": 1787441456, "skeleton": "QLRFEGJTWRRUBI", "hf_user": "Ku-ku", "display_name": "Q8_Me_4Fphenoxy", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.942, "axes": {"activity": 20.94, "binding": 11.17, "selectivity": 2.56, "admet": 3.08, "novelty": 3.82, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 6.68, "LE": 0.305, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.455, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.854, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.85668131803831, "aff_pf": -0.6753556927045187, "aff_hs": -0.2161691039800644, "repeats_pf": {"runs": 3, "values": [-0.6195, -0.8226, -0.5839], "mean": -0.6754, "spread": 0.2387}, "repeats_hs": {"runs": 3, "values": [-0.0268, -0.4812, -0.1405], "mean": -0.2162, "spread": 0.4543}, "at": 1787441456}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438816, "scored_at": 1787441456, "alerts": [], "rank": 2562}, {"candidate_id": "ODC-868196", "res_at": 1787558539, "skeleton": "CHFKGWLNLRDQSW", "hf_user": "takutoyo", "display_name": "PfD16-09", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········n2)n1", "total": 44.886, "axes": {"activity": 24.02, "binding": 8.33, "selectivity": 1.68, "admet": 3.24, "novelty": 4.74, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 6.041, "fraction": 0.801}, "binding": {"pIC50": 6.37, "LE": 0.273, "potency_term": 0.458, "efficiency_cap": 0.91}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.458}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.058, "caco2-wang": 0.449, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.163, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 6.04141823428283, "aff_pf": -0.37342814604441327, "aff_hs": -0.007094139854113261, "repeats_pf": {"runs": 3, "values": [-0.3638, -0.3291, -0.4274], "mean": -0.3734, "spread": 0.0984}, "repeats_hs": {"runs": 3, "values": [-0.1371, -0.0462, 0.162], "mean": -0.0071, "spread": 0.2991}, "at": 1787558539}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544096, "scored_at": 1787558539, "alerts": [], "rank": 2563}, {"candidate_id": "ODC-EDF456", "res_at": 1787222846, "skeleton": "ZUYOCKMCHDTTGN", "hf_user": "takutoyo", "display_name": "PfD9-C3", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.881, "axes": {"activity": 25.43, "binding": 3.31, "selectivity": 1.08, "admet": 7.67, "novelty": 5.33, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 6.126, "fraction": 0.848}, "binding": {"pIC50": 5.5, "LE": 0.314, "potency_term": 0.165, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.165}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.854, "cyp3a4-substrate-carbonmangels": 0.635, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.949}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 4.3}}, "run": {"gpu": "3", "pAct_q10": 6.126014827643946, "aff_pf": 0.503842810789744, "aff_hs": 1.1545066038767497, "repeats_pf": {"runs": 3, "values": [0.3972, 0.4226, 0.6917], "mean": 0.5038, "spread": 0.2945}, "repeats_hs": {"runs": 3, "values": [1.2607, 0.9871, 1.2157], "mean": 1.1545, "spread": 0.2735}, "at": 1787222846}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218724, "scored_at": 1787222846, "alerts": [], "rank": 2564}, {"candidate_id": "ODC-25B5C3", "res_at": 1786873104, "skeleton": "USZFDLILFTTXGB", "hf_user": "Binggu8", "display_name": "BG70-V803", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.879, "axes": {"activity": 14.07, "binding": 13.06, "selectivity": 7.01, "admet": 4.78, "novelty": 3.21, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 6.96, "LE": 0.397, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.536, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.442, "cyp3a4-substrate-carbonmangels": 0.171, "ld50-zhu": 0.479, "herg": 0.557, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.44440718516655, "aff_pf": -0.9596782326698303, "aff_hs": 0.11321481068929036, "repeats_pf": {"runs": 3, "values": [-0.9368, -0.9303, -1.0119], "mean": -0.9597, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [0.0762, 0.0991, 0.1644], "mean": 0.1132, "spread": 0.0882}, "at": 1786873104}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866406, "scored_at": 1786873104, "alerts": [], "rank": 2565}, {"candidate_id": "ODC-0F2BD3", "res_at": 1786797012, "skeleton": "NLEHXOQPQQDQBB", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.854, "axes": {"activity": 13.99, "binding": 14.55, "selectivity": 8.74, "admet": 5.07, "novelty": 0.0, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 7.18, "LE": 0.351, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.9, "selectivity_term": 0.601, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.952, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.729, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.4391174840577445, "aff_pf": -1.182489236195882, "aff_hs": 0.019068452219168346, "repeats_pf": {"runs": 3, "values": [-1.2013, -1.1719, -1.1742], "mean": -1.1825, "spread": 0.0293}, "repeats_hs": {"runs": 3, "values": [0.0295, -0.0717, 0.0995], "mean": 0.0191, "spread": 0.1712}, "at": 1786797012}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785062, "scored_at": 1786797012, "alerts": [], "rank": 2566}, {"candidate_id": "ODC-430C34", "res_at": 1787497123, "skeleton": "MNLMKFOTTWXENT", "hf_user": "takutoyo", "display_name": "PfD15-25", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 44.852, "axes": {"activity": 22.24, "binding": 9.51, "selectivity": 4.46, "admet": 2.46, "novelty": 4.45, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.934, "fraction": 0.741}, "binding": {"pIC50": 6.68, "LE": 0.254, "potency_term": 0.561, "efficiency_cap": 0.848}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.221, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 5.93434661908271, "aff_pf": -0.6831396619478861, "aff_hs": 0.11150460441907246, "repeats_pf": {"runs": 3, "values": [-0.6392, -0.6951, -0.7151], "mean": -0.6831, "spread": 0.0759}, "repeats_hs": {"runs": 3, "values": [0.0671, 0.1053, 0.1621], "mean": 0.1115, "spread": 0.0951}, "at": 1787497123}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491763, "scored_at": 1787497123, "alerts": [], "rank": 2567}, {"candidate_id": "ODC-064741", "res_at": 1787408348, "skeleton": "YYWKDHRLTNAYSC", "hf_user": "takutoyo", "display_name": "PfD13-09", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 44.848, "axes": {"activity": 22.77, "binding": 11.47, "selectivity": 0.1, "admet": 2.61, "novelty": 5.61, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.966, "fraction": 0.759}, "binding": {"pIC50": 6.95, "LE": 0.265, "potency_term": 0.651, "efficiency_cap": 0.882}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.271, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.353, "ld50-zhu": 0.785, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "3", "pAct_q10": 5.966341109541095, "aff_pf": -0.951735277970632, "aff_hs": -0.9365520477294922, "repeats_pf": {"runs": 3, "values": [-0.8706, -0.8646, -1.12], "mean": -0.9517, "spread": 0.2554}, "repeats_hs": {"runs": 3, "values": [-0.8416, -1.032, -0.9361], "mean": -0.9366, "spread": 0.1905}, "at": 1787408348}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406725, "scored_at": 1787408348, "alerts": [], "rank": 2568}, {"candidate_id": "ODC-8FD273", "res_at": 1789377497, "skeleton": "ZMZOKMQXIXFPID", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.847, "axes": {"activity": 12.99, "binding": 13.92, "selectivity": 6.81, "admet": 4.53, "novelty": 3.65, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 7.09, "LE": 0.388, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.5, "selectivity_term": 0.489, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.95, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.388, "herg": 0.141, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.379396394774244, "aff_pf": -1.0878960688908894, "aff_hs": -0.1093708723783493, "repeats_pf": {"runs": 3, "values": [-1.0879, -1.1033, -1.0725], "mean": -1.0879, "spread": 0.0309}, "repeats_hs": {"runs": 3, "values": [-0.2271, -0.0217, -0.0794], "mean": -0.1094, "spread": 0.2054}, "at": 1789377497}, "tier": 1, "alerts": [], "total_sd": 0.396, "total_ci95": [44.028, 45.554], "relegate_reason": [], "submitted_at": 1789365400, "scored_at": 1789377497, "rank": 2569}, {"candidate_id": "ODC-F5386B", "res_at": 1787324663, "skeleton": "DOQQXFNWUPHXOQ", "hf_user": "Ku-ku", "display_name": "B_4Br_3OCHF2", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.838, "axes": {"activity": 18.57, "binding": 12.64, "selectivity": 4.25, "admet": 3.45, "novelty": 3.16, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.714, "fraction": 0.619}, "binding": {"pIC50": 6.9, "LE": 0.363, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.101, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.518, "ld50-zhu": 0.723, "herg": 0.071, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.71406481983519, "aff_pf": -0.8958640098571777, "aff_hs": -0.22343149781227112, "repeats_pf": {"runs": 3, "values": [-0.8765, -0.9226, -0.8885], "mean": -0.8959, "spread": 0.0461}, "repeats_hs": {"runs": 3, "values": [-0.1432, -0.2591, -0.268], "mean": -0.2234, "spread": 0.1248}, "at": 1787324663}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322706, "scored_at": 1787324663, "alerts": [], "rank": 2570}, {"candidate_id": "ODC-C678A5", "res_at": 1786943712, "skeleton": "VNHJTWFSXBVXQQ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 44.833, "axes": {"activity": 14.68, "binding": 12.88, "selectivity": 6.92, "admet": 3.92, "novelty": 3.68, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 6.93, "LE": 0.365, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.612, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.724, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.480968071609832, "aff_pf": -0.9313996632893881, "aff_hs": 0.14326599737008414, "repeats_pf": {"runs": 3, "values": [-0.9423, -1.0168, -0.8351], "mean": -0.9314, "spread": 0.1818}, "repeats_hs": {"runs": 3, "values": [0.2331, -0.1256, 0.3222], "mean": 0.1433, "spread": 0.4478}, "at": 1786943712}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934260, "scored_at": 1786943712, "alerts": [], "rank": 2571}, {"candidate_id": "ODC-9392E0", "res_at": 1789036684, "skeleton": "XYVATQDHKMTHCE", "hf_user": "trblnfxn", "display_name": "NC-FACT-04_Amide_SMe", "model_name": "Hermes-Factorial-v3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········nc2n1", "total": 44.794, "axes": {"activity": 18.5, "binding": 9.18, "selectivity": 6.56, "admet": 4.03, "novelty": 3.66, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.71, "fraction": 0.617}, "binding": {"pIC50": 6.38, "LE": 0.301, "potency_term": 0.459, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.9, "selectivity_term": 0.715, "target_engagement": 0.459}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.501, "herg": 0.134, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.709960490845861, "aff_pf": -0.37681106229623157, "aff_hs": 1.0524438222249348, "repeats_pf": {"runs": 3, "values": [-0.221, -0.5316, -0.3778], "mean": -0.3768, "spread": 0.3106}, "repeats_hs": {"runs": 3, "values": [1.1356, 0.9803, 1.0415], "mean": 1.0524, "spread": 0.1554}, "at": 1789036684}, "tier": 1, "alerts": [], "total_sd": 1.242, "total_ci95": [42.213, 47.514], "relegate_reason": [], "submitted_at": 1789035170, "scored_at": 1789036684, "rank": 2572}, {"candidate_id": "ODC-969679", "res_at": 1787871740, "skeleton": "LAOWRPBXJJVNJY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 44.786, "axes": {"activity": 9.37, "binding": 16.27, "selectivity": 7.22, "admet": 6.25, "novelty": 3.05, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 7.44, "LE": 0.364, "potency_term": 0.813, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.502, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.71, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.78, "herg": 0.267, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "0", "pAct_q10": 5.16210720938746, "aff_pf": -1.4398769934972127, "aff_hs": -0.5517649253209432, "repeats_pf": {"runs": 3, "values": [-1.3782, -1.5239, -1.4176], "mean": -1.4399, "spread": 0.1457}, "repeats_hs": {"runs": 3, "values": [-0.5516, -0.5033, -0.6003], "mean": -0.5518, "spread": 0.097}, "at": 1787856948}, "tier": 1, "relegate_reason": [], "submitted_at": 1787800759, "scored_at": 1787856948, "alerts": [], "rank": 2573}, {"candidate_id": "ODC-A5E7E5", "res_at": 1787153442, "skeleton": "HRBKGSXWVLHHET", "hf_user": "Ku-ku", "display_name": "M20_SnPr_Br3F", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 44.786, "axes": {"activity": 12.97, "binding": 12.31, "selectivity": 9.85, "admet": 3.56, "novelty": 3.13, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 6.85, "LE": 0.408, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.9, "selectivity_term": 0.8, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.862, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.443, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.3781859501299545, "aff_pf": -0.8460962573687235, "aff_hs": 0.7545056343078613, "repeats_pf": {"runs": 3, "values": [-0.7203, -0.8976, -0.9203], "mean": -0.8461, "spread": 0.2}, "repeats_hs": {"runs": 3, "values": [0.6946, 0.7731, 0.7958], "mean": 0.7545, "spread": 0.1012}, "at": 1787153442}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148033, "scored_at": 1787153442, "alerts": [], "rank": 2574}, {"candidate_id": "ODC-662F9A", "res_at": 1788133486, "skeleton": "BESRTESZNUJQQN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.78, "axes": {"activity": 19.61, "binding": 10.42, "selectivity": 4.96, "admet": 3.1, "novelty": 3.84, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.777, "fraction": 0.654}, "binding": {"pIC50": 6.56, "LE": 0.3, "potency_term": 0.521, "efficiency_cap": 0.999}, "selectivity": {"fold": 9.0, "selectivity_term": 0.476, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.063, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.776758627667062, "aff_pf": -0.5644116600354513, "aff_hs": 0.3875500559806824, "repeats_pf": {"runs": 3, "values": [-0.5497, -0.5031, -0.6405], "mean": -0.5644, "spread": 0.1374}, "repeats_hs": {"runs": 3, "values": [0.5092, 0.2442, 0.4093], "mean": 0.3876, "spread": 0.265}, "at": 1788133486}, "tier": 1, "alerts": [], "total_sd": 0.615, "total_ci95": [43.58, 45.952], "relegate_reason": [], "submitted_at": 1788132348, "scored_at": 1788133486, "rank": 2575}, {"candidate_id": "ODC-723A07", "res_at": 1789582426, "skeleton": "HOPHVDWWLYKISW", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········C)CC1", "total": 44.778, "axes": {"activity": 23.22, "binding": 6.09, "selectivity": 2.33, "admet": 4.45, "novelty": 5.81, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.993, "fraction": 0.774}, "binding": {"pIC50": 6.17, "LE": 0.235, "potency_term": 0.389, "efficiency_cap": 0.782}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.116, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 5.993301873845983, "aff_pf": -0.16774346927801767, "aff_hs": 0.4312743643919627, "repeats_pf": {"runs": 3, "values": [0.0205, -0.366, -0.1578], "mean": -0.1677, "spread": 0.3864}, "repeats_hs": {"runs": 3, "values": [0.6605, 0.4757, 0.1576], "mean": 0.4313, "spread": 0.5029}, "at": 1789582426}, "tier": 1, "alerts": [], "total_sd": 1.196, "total_ci95": [42.709, 47.34], "relegate_reason": [], "submitted_at": 1789571922, "scored_at": 1789582426, "rank": 2576}, {"candidate_id": "ODC-FAA672", "res_at": 1787505444, "skeleton": "CYKIHSOIRMLAJC", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 44.759, "axes": {"activity": 16.82, "binding": 10.15, "selectivity": 9.27, "admet": 2.41, "novelty": 3.43, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.609, "fraction": 0.561}, "binding": {"pIC50": 6.81, "LE": 0.252, "potency_term": 0.604, "efficiency_cap": 0.841}, "selectivity": {"fold": 34.3, "selectivity_term": 0.768, "target_engagement": 0.604}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.33, "ld50-zhu": 0.477, "herg": 0.05, "dili": 0.198}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.6092934739242235, "aff_pf": -0.8111045559247335, "aff_hs": 0.72462530930837, "repeats_pf": {"runs": 3, "values": [-0.9472, -0.7431, -0.743], "mean": -0.8111, "spread": 0.2041}, "repeats_hs": {"runs": 3, "values": [0.7227, 0.7691, 0.682], "mean": 0.7246, "spread": 0.0871}, "at": 1787505444}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497934, "scored_at": 1787505444, "alerts": [], "rank": 2577}, {"candidate_id": "ODC-96C436", "res_at": 1788857196, "skeleton": "PHCWNTSXVOUTJB", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········ccc1F", "total": 44.744, "axes": {"activity": 22.43, "binding": 7.07, "selectivity": 1.52, "admet": 5.96, "novelty": 4.63, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.946, "fraction": 0.748}, "binding": {"pIC50": 6.06, "LE": 0.346, "potency_term": 0.354, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.215, "target_engagement": 0.354}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.666, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.355, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.945804107492397, "aff_pf": -0.060549937188625336, "aff_hs": 0.36918198068936664, "repeats_pf": {"runs": 3, "values": [-0.1474, 0.0294, -0.0637], "mean": -0.0605, "spread": 0.1768}, "repeats_hs": {"runs": 3, "values": [0.2164, 0.3733, 0.5178], "mean": 0.3692, "spread": 0.3015}, "at": 1788857196}, "tier": 1, "alerts": [], "total_sd": 0.564, "total_ci95": [43.724, 45.98], "relegate_reason": [], "submitted_at": 1788856385, "scored_at": 1788857196, "rank": 2578}, {"candidate_id": "ODC-84B700", "res_at": 1788538529, "skeleton": "CVWHUDRRTMOYTL", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 44.742, "axes": {"activity": 10.86, "binding": 14.39, "selectivity": 8.41, "admet": 4.63, "novelty": 3.34, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 7.16, "LE": 0.377, "potency_term": 0.719, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.719}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.43, "herg": 0.224, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.251546200763032, "aff_pf": -1.1583934624989827, "aff_hs": 0.011221374074618021, "repeats_pf": {"runs": 3, "values": [-1.1872, -1.1478, -1.1401], "mean": -1.1584, "spread": 0.0471}, "repeats_hs": {"runs": 3, "values": [-0.0127, -0.0422, 0.0886], "mean": 0.0112, "spread": 0.1308}, "at": 1788538529}, "tier": 1, "alerts": [], "total_sd": 0.347, "total_ci95": [44.129, 45.404], "relegate_reason": [], "submitted_at": 1788489568, "scored_at": 1788538529, "rank": 2579}, {"candidate_id": "ODC-EC162A", "res_at": 1786929136, "skeleton": "KDXLHJFOBVFUOM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.737, "axes": {"activity": 10.12, "binding": 15.23, "selectivity": 7.74, "admet": 5.54, "novelty": 3.5, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.207, "fraction": 0.337}, "binding": {"pIC50": 7.29, "LE": 0.384, "potency_term": 0.762, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.508, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.649, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.981, "ld50-zhu": 0.88, "herg": 0.267, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.541, "novelty": 0.459}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "2", "pAct_q10": 5.20695473756932, "aff_pf": -1.285057783126831, "aff_hs": -0.2682407697041829, "repeats_pf": {"runs": 3, "values": [-1.2974, -1.2767, -1.2811], "mean": -1.2851, "spread": 0.0208}, "repeats_hs": {"runs": 3, "values": [-0.2577, -0.1319, -0.4151], "mean": -0.2682, "spread": 0.2831}, "at": 1786929136}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924369, "scored_at": 1786929136, "alerts": [], "rank": 2580}, {"candidate_id": "ODC-8F36E9", "res_at": 1787042466, "skeleton": "NHTGNYGYJLIEBS", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 44.712, "axes": {"activity": 15.13, "binding": 11.68, "selectivity": 8.46, "admet": 3.67, "novelty": 3.45, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.504}, "binding": {"pIC50": 6.75, "LE": 0.421, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.1, "selectivity_term": 0.724, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.336, "cyp3a4-substrate-carbonmangels": 0.112, "ld50-zhu": 0.489, "herg": 0.18, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.5075335348299435, "aff_pf": -0.7526831229527792, "aff_hs": 0.6955668528874716, "repeats_pf": {"runs": 3, "values": [-0.7473, -0.7014, -0.8093], "mean": -0.7527, "spread": 0.1079}, "repeats_hs": {"runs": 3, "values": [0.7238, 0.7726, 0.5903], "mean": 0.6956, "spread": 0.1823}, "at": 1787042466}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038317, "scored_at": 1787042466, "alerts": [], "rank": 2581}, {"candidate_id": "ODC-321D40", "res_at": 1789309213, "skeleton": "KAXPYORINYDRIN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 44.708, "axes": {"activity": 13.0, "binding": 14.66, "selectivity": 7.55, "admet": 3.33, "novelty": 3.24, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.38, "fraction": 0.433}, "binding": {"pIC50": 7.2, "LE": 0.34, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.7, "selectivity_term": 0.515, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.379734280209962, "aff_pf": -1.1984525521596272, "aff_hs": -0.1680994282166163, "repeats_pf": {"runs": 3, "values": [-1.1909, -1.1844, -1.22], "mean": -1.1985, "spread": 0.0355}, "repeats_hs": {"runs": 3, "values": [-0.223, -0.2026, -0.0786], "mean": -0.1681, "spread": 0.1444}, "at": 1789309213}, "tier": 1, "alerts": [], "total_sd": 0.348, "total_ci95": [44.099, 45.363], "relegate_reason": [], "submitted_at": 1789308385, "scored_at": 1789309213, "rank": 2582}, {"candidate_id": "ODC-37D7A5", "res_at": 1789911177, "skeleton": "MXKKOWMCGHNWPD", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.699, "axes": {"activity": 22.2, "binding": 5.8, "selectivity": 4.54, "admet": 4.45, "novelty": 4.34, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.932, "fraction": 0.74}, "binding": {"pIC50": 6.09, "LE": 0.239, "potency_term": 0.365, "efficiency_cap": 0.795}, "selectivity": {"fold": 17.6, "selectivity_term": 0.622, "target_engagement": 0.365}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.478, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.703, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.776, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.9318918041815705, "aff_pf": -0.0942293753226598, "aff_hs": 1.1505043109258015, "repeats_pf": {"runs": 3, "values": [-0.1861, 0.0241, -0.1207], "mean": -0.0942, "spread": 0.2102}, "repeats_hs": {"runs": 3, "values": [1.0513, 1.1501, 1.2501], "mean": 1.1505, "spread": 0.1987}, "at": 1789911177}, "tier": 1, "alerts": [], "total_sd": 0.732, "total_ci95": [43.095, 45.961], "relegate_reason": [], "submitted_at": 1789837452, "scored_at": 1789911177, "rank": 2583}, {"candidate_id": "ODC-9A1999", "res_at": 1789107009, "skeleton": "CBEBFQRMMJDASZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.698, "axes": {"activity": 15.01, "binding": 14.13, "selectivity": 4.48, "admet": 4.36, "novelty": 3.86, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.501, "fraction": 0.5}, "binding": {"pIC50": 7.12, "LE": 0.375, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.629, "cyp2c9-veith": 0.602, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.584, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.500848929157947, "aff_pf": -1.1192787885665894, "aff_hs": -0.4856062134106954, "repeats_pf": {"runs": 3, "values": [-1.2103, -1.0512, -1.0963], "mean": -1.1193, "spread": 0.1591}, "repeats_hs": {"runs": 3, "values": [-0.4782, -0.467, -0.5116], "mean": -0.4856, "spread": 0.0446}, "at": 1789107009}, "tier": 1, "alerts": [], "total_sd": 0.79, "total_ci95": [43.488, 46.616], "relegate_reason": [], "submitted_at": 1789093710, "scored_at": 1789107009, "rank": 2584}, {"candidate_id": "ODC-90DD02", "res_at": 1786842460, "skeleton": "VMPWBSGYKKMDAC", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.69, "axes": {"activity": 13.63, "binding": 11.95, "selectivity": 8.87, "admet": 4.03, "novelty": 3.54, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.454}, "binding": {"pIC50": 6.79, "LE": 0.443, "potency_term": 0.597, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.5, "selectivity_term": 0.742, "target_engagement": 0.597}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.526, "herg": 0.34, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.4180185144477475, "aff_pf": -0.7922196785608927, "aff_hs": 0.6919194459915161, "repeats_pf": {"runs": 3, "values": [-0.7809, -0.7802, -0.8155], "mean": -0.7922, "spread": 0.0353}, "repeats_hs": {"runs": 3, "values": [0.8262, 0.7142, 0.5354], "mean": 0.6919, "spread": 0.2908}, "at": 1786842460}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808513, "scored_at": 1786842460, "alerts": [], "rank": 2585}, {"candidate_id": "ODC-1F4FCC", "res_at": 1788165938, "skeleton": "TXQWHXHRTVXVLI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 44.687, "axes": {"activity": 14.71, "binding": 11.76, "selectivity": 7.84, "admet": 4.98, "novelty": 2.94, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.483, "fraction": 0.49}, "binding": {"pIC50": 6.76, "LE": 0.371, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.6, "selectivity_term": 0.667, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.957, "cyp3a4-substrate-carbonmangels": 0.347, "ld50-zhu": 0.452, "herg": 0.708, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.482770569722726, "aff_pf": -0.7639158964157104, "aff_hs": 0.5700587232907613, "repeats_pf": {"runs": 3, "values": [-0.7608, -0.7877, -0.7432], "mean": -0.7639, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [0.5163, 0.6399, 0.5539], "mean": 0.5701, "spread": 0.1236}, "at": 1788165938}, "tier": 1, "alerts": [], "total_sd": 0.322, "total_ci95": [44.108, 45.307], "relegate_reason": [], "submitted_at": 1788165462, "scored_at": 1788165938, "rank": 2586}, {"candidate_id": "ODC-981537", "res_at": 1787871744, "skeleton": "MMBJJFGYZZFFLL", "hf_user": "Moonweave", "display_name": "M5AI-F12-AMD-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 44.678, "axes": {"activity": 11.22, "binding": 15.47, "selectivity": 6.34, "admet": 2.8, "novelty": 5.39, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 7.32, "LE": 0.334, "potency_term": 0.774, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.41, "target_engagement": 0.774}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.491, "herg": 0.05, "dili": 0.17}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.273223482254849, "aff_pf": -1.3205095132191975, "aff_hs": -0.5003273685773214, "repeats_pf": {"runs": 3, "values": [-1.3317, -1.1985, -1.4314], "mean": -1.3205, "spread": 0.233}, "repeats_hs": {"runs": 3, "values": [-0.6066, -0.2683, -0.6261], "mean": -0.5003, "spread": 0.3577}, "at": 1787845864}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791022, "scored_at": 1787845864, "alerts": [], "rank": 2587}, {"candidate_id": "ODC-DE3C6D", "res_at": 1787615525, "skeleton": "WURDGKDLRNZFRY", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-메톡시-1-메틸사이클로부틸 (고리밖 O)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COC1CC(··········c2)C1", "total": 44.672, "axes": {"activity": 21.3, "binding": 6.82, "selectivity": 5.44, "admet": 3.36, "novelty": 4.82, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.878, "fraction": 0.71}, "binding": {"pIC50": 6.34, "LE": 0.229, "potency_term": 0.447, "efficiency_cap": 0.762}, "selectivity": {"fold": 16.5, "selectivity_term": 0.608, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.322, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.19}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.878154600044847, "aff_pf": -0.3419105609258016, "aff_hs": 0.8747993310292562, "repeats_pf": {"runs": 3, "values": [-0.3187, -0.3679, -0.3391], "mean": -0.3419, "spread": 0.0491}, "repeats_hs": {"runs": 3, "values": [0.9845, 0.831, 0.8089], "mean": 0.8748, "spread": 0.1756}, "at": 1787615525}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614420, "scored_at": 1787615525, "alerts": [], "rank": 2588}, {"candidate_id": "ODC-50D599", "res_at": 1788571927, "skeleton": "YLFNXVYMCMKEPK", "hf_user": "Bio-JS", "display_name": "0905-S1-05 Et/Me/Br/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 44.658, "axes": {"activity": 13.66, "binding": 12.41, "selectivity": 9.35, "admet": 4.14, "novelty": 2.03, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.455}, "binding": {"pIC50": 6.86, "LE": 0.448, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.2, "selectivity_term": 0.754, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.369, "herg": 0.105, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 5.419782115193409, "aff_pf": -0.8609352111816406, "aff_hs": 0.6466542879740397, "repeats_pf": {"runs": 3, "values": [-0.9113, -0.8879, -0.7836], "mean": -0.8609, "spread": 0.1277}, "repeats_hs": {"runs": 3, "values": [0.6798, 0.7162, 0.544], "mean": 0.6467, "spread": 0.1722}, "at": 1788571927}, "tier": 1, "alerts": [], "total_sd": 0.866, "total_ci95": [42.91, 46.029], "relegate_reason": [], "submitted_at": 1788559910, "scored_at": 1788571927, "rank": 2589}, {"candidate_id": "ODC-BC3EDF", "res_at": 1789564992, "skeleton": "VMZLQIRRMISOKV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 44.641, "axes": {"activity": 13.79, "binding": 13.64, "selectivity": 6.26, "admet": 4.72, "novelty": 4.36, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.46}, "binding": {"pIC50": 7.05, "LE": 0.302, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.384, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.995, "ld50-zhu": 0.867, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "0", "pAct_q10": 5.427240826238151, "aff_pf": -1.0457613865534465, "aff_hs": -0.12779978414376578, "repeats_pf": {"runs": 3, "values": [-1.1036, -1.0276, -1.0061], "mean": -1.0458, "spread": 0.0975}, "repeats_hs": {"runs": 3, "values": [-0.179, -0.0785, -0.1259], "mean": -0.1278, "spread": 0.1005}, "at": 1789564992}, "tier": 1, "alerts": [], "total_sd": 0.556, "total_ci95": [43.708, 45.795], "relegate_reason": [], "submitted_at": 1789563168, "scored_at": 1789564992, "rank": 2590}, {"candidate_id": "ODC-5E0C30", "res_at": 1788307398, "skeleton": "ZJDGUDIFGJPZKO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 44.636, "axes": {"activity": 17.28, "binding": 11.25, "selectivity": 7.51, "admet": 2.43, "novelty": 3.4, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 7.01, "LE": 0.253, "potency_term": 0.668, "efficiency_cap": 0.842}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.668}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.636798378641129, "aff_pf": -1.0050512154897053, "aff_hs": 0.11826020727554958, "repeats_pf": {"runs": 3, "values": [-1.0259, -0.9309, -1.0583], "mean": -1.0051, "spread": 0.1274}, "repeats_hs": {"runs": 3, "values": [0.0587, 0.2452, 0.0509], "mean": 0.1183, "spread": 0.1944}, "at": 1788307398}, "tier": 1, "alerts": [], "total_sd": 0.627, "total_ci95": [43.488, 45.865], "relegate_reason": [], "submitted_at": 1788276466, "scored_at": 1788307398, "rank": 2591}, {"candidate_id": "ODC-942BEF", "res_at": 1789888019, "skeleton": "SZNKAVOBFJIZRB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 44.636, "axes": {"activity": 22.75, "binding": 7.89, "selectivity": 0.0, "admet": 6.19, "novelty": 4.81, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.965, "fraction": 0.758}, "binding": {"pIC50": 6.18, "LE": 0.326, "potency_term": 0.395, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.395}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.884, "cyp3a4-substrate-carbonmangels": 0.745, "ld50-zhu": 0.441, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.96498736749638, "aff_pf": -0.18388820687929788, "aff_hs": -0.2472552259763082, "repeats_pf": {"runs": 3, "values": [-0.2399, -0.1633, -0.1484], "mean": -0.1839, "spread": 0.0915}, "repeats_hs": {"runs": 3, "values": [-0.1543, -0.2726, -0.3149], "mean": -0.2473, "spread": 0.1606}, "at": 1789888019}, "tier": 1, "alerts": [], "total_sd": 0.171, "total_ci95": [44.4, 45.029], "relegate_reason": [], "submitted_at": 1789658537, "scored_at": 1789888019, "rank": 2592}, {"candidate_id": "ODC-66DB17", "res_at": 1789081557, "skeleton": "QYHRMYBFTGVUBH", "hf_user": "trblnfxn", "display_name": "NC-ANIL-01_2F4CF3", "model_name": "Hermes-AnilineScan-v4", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.633, "axes": {"activity": 9.23, "binding": 14.92, "selectivity": 5.89, "admet": 6.33, "novelty": 4.69, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.154, "fraction": 0.308}, "binding": {"pIC50": 7.24, "LE": 0.431, "potency_term": 0.746, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.395, "target_engagement": 0.746}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.531, "cyp3a4-substrate-carbonmangels": 0.567, "ld50-zhu": 0.561, "herg": 0.636, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.153749108072942, "aff_pf": -1.2385292053222656, "aff_hs": -0.449060986439387, "repeats_pf": {"runs": 3, "values": [-1.2031, -1.2608, -1.2517], "mean": -1.2385, "spread": 0.0578}, "repeats_hs": {"runs": 3, "values": [-0.5094, -0.3788, -0.459], "mean": -0.4491, "spread": 0.1305}, "at": 1789081557}, "tier": 1, "alerts": [], "total_sd": 0.414, "total_ci95": [43.81, 45.41], "relegate_reason": [], "submitted_at": 1789053678, "scored_at": 1789081557, "rank": 2593}, {"candidate_id": "ODC-14C48F", "res_at": 1786844237, "skeleton": "LDNUGVDHORQSQB", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.631, "axes": {"activity": 9.72, "binding": 14.02, "selectivity": 10.39, "admet": 4.58, "novelty": 2.75, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 7.1, "LE": 0.423, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.4, "selectivity_term": 0.741, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.088, "cyp3a4-substrate-carbonmangels": 0.554, "ld50-zhu": 0.507, "herg": 0.239, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "1", "pAct_q10": 5.1831698529679056, "aff_pf": -1.1030343770980835, "aff_hs": 0.3796355724334717, "repeats_pf": {"runs": 3, "values": [-1.111, -1.1272, -1.0709], "mean": -1.103, "spread": 0.0564}, "repeats_hs": {"runs": 3, "values": [0.4832, 0.384, 0.2717], "mean": 0.3796, "spread": 0.2115}, "at": 1786844237}, "tier": 1, "relegate_reason": [], "submitted_at": 1786838734, "scored_at": 1786844237, "alerts": [], "rank": 2594}, {"candidate_id": "ODC-BD09B6", "res_at": 1786899937, "skeleton": "JQGWICWVXWBIOH", "hf_user": "YNBIZ", "display_name": "YNBIZ", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 44.612, "axes": {"activity": 16.08, "binding": 13.0, "selectivity": 5.62, "admet": 3.62, "novelty": 3.45, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 6.95, "LE": 0.353, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.433, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.86, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.562, "ld50-zhu": 0.551, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.564899303962208, "aff_pf": -0.9495484034220377, "aff_hs": -0.08432220419247945, "repeats_pf": {"runs": 3, "values": [-0.9657, -0.9551, -0.9278], "mean": -0.9495, "spread": 0.038}, "repeats_hs": {"runs": 3, "values": [-0.0726, -0.0525, -0.1278], "mean": -0.0843, "spread": 0.0753}, "at": 1786899937}, "tier": 1, "relegate_reason": [], "submitted_at": 1786897197, "scored_at": 1786899937, "alerts": [], "rank": 2595}, {"candidate_id": "ODC-73FFEC", "res_at": 1787189538, "skeleton": "CBRSJHVRVPLXIF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········3)CC1", "total": 44.61, "axes": {"activity": 15.41, "binding": 12.92, "selectivity": 4.52, "admet": 4.82, "novelty": 3.86, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.524, "fraction": 0.514}, "binding": {"pIC50": 7.0, "LE": 0.291, "potency_term": 0.667, "efficiency_cap": 0.969}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.35, "cyp2c9-veith": 0.484, "cyp3a4-substrate-carbonmangels": 0.171, "ld50-zhu": 0.739, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.402, "novelty": 0.598}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.524411513903548, "aff_pf": -1.000346263249715, "aff_hs": -0.32318630317846936, "repeats_pf": {"runs": 3, "values": [-0.9858, -0.9927, -1.0226], "mean": -1.0003, "spread": 0.0368}, "repeats_hs": {"runs": 3, "values": [-0.1157, -0.3667, -0.4872], "mean": -0.3232, "spread": 0.3715}, "at": 1787189538}, "tier": 1, "relegate_reason": [], "submitted_at": 1787187555, "scored_at": 1787189538, "alerts": [], "rank": 2596}, {"candidate_id": "ODC-7EC289", "res_at": 1787493258, "skeleton": "PSKONZFQMKITGN", "hf_user": "takutoyo", "display_name": "PfD15-09", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.598, "axes": {"activity": 23.83, "binding": 11.01, "selectivity": 0.68, "admet": 2.56, "novelty": 4.62, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 6.03, "fraction": 0.794}, "binding": {"pIC50": 6.76, "LE": 0.281, "potency_term": 0.588, "efficiency_cap": 0.936}, "selectivity": {"fold": 1.3, "selectivity_term": 0.058, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.215, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.413, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.744, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 4.33}}, "run": {"gpu": "3", "pAct_q10": 6.030085147625777, "aff_pf": -0.7645854949951172, "aff_hs": -0.6487029592196146, "repeats_pf": {"runs": 3, "values": [-0.609, -0.8766, -0.8082], "mean": -0.7646, "spread": 0.2676}, "repeats_hs": {"runs": 3, "values": [-0.5987, -0.7184, -0.629], "mean": -0.6487, "spread": 0.1197}, "at": 1787493258}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491571, "scored_at": 1787493258, "alerts": [], "rank": 2597}, {"candidate_id": "ODC-29FD41", "res_at": 1786944111, "skeleton": "BJALKZRULLXLGD", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 44.595, "axes": {"activity": 15.61, "binding": 13.02, "selectivity": 6.54, "admet": 2.65, "novelty": 3.89, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.52}, "binding": {"pIC50": 6.95, "LE": 0.353, "potency_term": 0.651, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.503, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.34, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.651, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.536700198528374, "aff_pf": -0.9534056186676025, "aff_hs": 0.05161620179812113, "repeats_pf": {"runs": 3, "values": [-0.7784, -1.0412, -1.0406], "mean": -0.9534, "spread": 0.2628}, "repeats_hs": {"runs": 3, "values": [-0.2897, 0.1487, 0.2959], "mean": 0.0516, "spread": 0.5856}, "at": 1786944111}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934265, "scored_at": 1786944111, "alerts": [], "rank": 2598}, {"candidate_id": "ODC-F8D31D", "res_at": 1789043037, "skeleton": "NJVDPLWMCHZEHL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.594, "axes": {"activity": 14.98, "binding": 12.65, "selectivity": 6.84, "admet": 4.49, "novelty": 2.8, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.499}, "binding": {"pIC50": 6.9, "LE": 0.411, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.734, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.613, "herg": 0.25, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.558, "novelty": 0.442}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.4989213149408425, "aff_pf": -0.8971448938051859, "aff_hs": 0.18495499094327292, "repeats_pf": {"runs": 3, "values": [-0.8691, -0.9041, -0.9183], "mean": -0.8971, "spread": 0.0493}, "repeats_hs": {"runs": 3, "values": [0.1476, 0.2209, 0.1864], "mean": 0.185, "spread": 0.0733}, "at": 1789043037}, "tier": 1, "alerts": [], "total_sd": 0.295, "total_ci95": [43.91, 45.216], "relegate_reason": [], "submitted_at": 1789040220, "scored_at": 1789043037, "rank": 2599}, {"candidate_id": "ODC-CEC6D3", "res_at": 1788329675, "skeleton": "UBYIBSACHMOOAP", "hf_user": "Bio-JS", "display_name": "0902-말단나이트릴-HA32", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 44.58, "axes": {"activity": 12.74, "binding": 14.22, "selectivity": 7.61, "admet": 2.57, "novelty": 4.62, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 7.13, "LE": 0.305, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.731, "herg": 0.05, "dili": 0.223}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.364522611943419, "aff_pf": -1.1328057845433552, "aff_hs": -0.06255752841631572, "repeats_pf": {"runs": 3, "values": [-1.1383, -1.0094, -1.2507], "mean": -1.1328, "spread": 0.2413}, "repeats_hs": {"runs": 3, "values": [-0.0512, -0.0384, -0.0981], "mean": -0.0626, "spread": 0.0596}, "at": 1788329675}, "tier": 1, "alerts": [], "total_sd": 1.266, "total_ci95": [42.016, 47.256], "relegate_reason": [], "submitted_at": 1788327329, "scored_at": 1788329675, "rank": 2600}, {"candidate_id": "ODC-F41206", "res_at": 1787258091, "skeleton": "ZOMHZGHKABEWJN", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-Q01", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 44.569, "axes": {"activity": 21.75, "binding": 6.94, "selectivity": 4.59, "admet": 3.22, "novelty": 4.55, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.905, "fraction": 0.725}, "binding": {"pIC50": 6.21, "LE": 0.258, "potency_term": 0.404, "efficiency_cap": 0.86}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.507, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.553, "herg": 0.05, "dili": 0.21}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.9051147516975036, "aff_pf": -0.21148372193177542, "aff_hs": 0.9258043169975281, "repeats_pf": {"runs": 3, "values": [-0.2299, -0.218, -0.1865], "mean": -0.2115, "spread": 0.0434}, "repeats_hs": {"runs": 3, "values": [0.8926, 0.9042, 0.9806], "mean": 0.9258, "spread": 0.088}, "at": 1787258091}, "tier": 1, "relegate_reason": [], "submitted_at": 1787257777, "scored_at": 1787258091, "alerts": [], "rank": 2601}, {"candidate_id": "ODC-FD8500", "res_at": 1786877042, "skeleton": "XSYSOKZLDQIACL", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Cl", "total": 44.569, "axes": {"activity": 9.22, "binding": 13.53, "selectivity": 10.77, "admet": 5.02, "novelty": 3.08, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.153, "fraction": 0.307}, "binding": {"pIC50": 7.03, "LE": 0.419, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 39.0, "selectivity_term": 0.796, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.891, "ld50-zhu": 0.359, "herg": 0.698, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.152959485828161, "aff_pf": -1.0297812223434448, "aff_hs": 0.5617810289065043, "repeats_pf": {"runs": 3, "values": [-0.9707, -1.0992, -1.0194], "mean": -1.0298, "spread": 0.1284}, "repeats_hs": {"runs": 3, "values": [0.5616, 0.5324, 0.5913], "mean": 0.5618, "spread": 0.0589}, "at": 1786877042}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867663, "scored_at": 1786877042, "alerts": [], "rank": 2602}, {"candidate_id": "ODC-054E30", "res_at": 1786980977, "skeleton": "HBGBEDSRVQJOBN", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 44.566, "axes": {"activity": 8.65, "binding": 14.21, "selectivity": 9.99, "admet": 5.7, "novelty": 2.79, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.119, "fraction": 0.288}, "binding": {"pIC50": 7.13, "LE": 0.376, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.5, "selectivity_term": 0.703, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.981, "cyp2c9-veith": 0.572, "cyp3a4-substrate-carbonmangels": 0.54, "ld50-zhu": 0.561, "herg": 0.51, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.1187138392927025, "aff_pf": -1.1321256160736084, "aff_hs": 0.2738039592901866, "repeats_pf": {"runs": 3, "values": [-1.1456, -1.192, -1.0588], "mean": -1.1321, "spread": 0.1333}, "repeats_hs": {"runs": 3, "values": [0.2515, 0.2562, 0.3137], "mean": 0.2738, "spread": 0.0622}, "at": 1786980977}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977566, "scored_at": 1786980977, "alerts": [], "rank": 2603}, {"candidate_id": "ODC-CBB21E", "res_at": 1787545541, "skeleton": "RGZVJFXPDFOHOG", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 44.564, "axes": {"activity": 17.98, "binding": 9.83, "selectivity": 7.0, "admet": 2.97, "novelty": 3.99, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.679, "fraction": 0.599}, "binding": {"pIC50": 6.65, "LE": 0.268, "potency_term": 0.55, "efficiency_cap": 0.893}, "selectivity": {"fold": 18.7, "selectivity_term": 0.636, "target_engagement": 0.55}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.375, "herg": 0.05, "dili": 0.187}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.678506025014792, "aff_pf": -0.6503449281056722, "aff_hs": 0.6223049561182658, "repeats_pf": {"runs": 3, "values": [-0.7009, -0.7408, -0.5093], "mean": -0.6503, "spread": 0.2314}, "repeats_hs": {"runs": 3, "values": [0.6385, 0.56, 0.6685], "mean": 0.6223, "spread": 0.1085}, "at": 1787545541}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523284, "scored_at": 1787545541, "alerts": [], "rank": 2604}, {"candidate_id": "ODC-7E86C1", "res_at": 1786889039, "skeleton": "MVPPHJIZXWUAMB", "hf_user": "ALEX32321", "display_name": "ALEXAI-RECLAIM-V07-07-Tetralin7CF2H", "model_name": "OpenAI GPT-5.6 Sol + OpenCrab Curated6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.562, "axes": {"activity": 10.87, "binding": 15.4, "selectivity": 8.12, "admet": 5.59, "novelty": 1.8, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 7.31, "LE": 0.358, "potency_term": 0.77, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.527, "target_engagement": 0.77}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.438, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.52, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.767, "novelty": 0.233}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "2", "pAct_q10": 5.252287355610134, "aff_pf": -1.3096308310826619, "aff_hs": -0.25529640913009644, "repeats_pf": {"runs": 3, "values": [-1.3012, -1.285, -1.3426], "mean": -1.3096, "spread": 0.0576}, "repeats_hs": {"runs": 3, "values": [-0.2758, -0.1658, -0.3243], "mean": -0.2553, "spread": 0.1585}, "at": 1786889039}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880422, "scored_at": 1786889039, "alerts": [], "rank": 2605}, {"candidate_id": "ODC-9F6FAC", "res_at": 1787011744, "skeleton": "PVQGGWLPSLCLGC", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Oc1cc(N··········nc2n1", "total": 44.544, "axes": {"activity": 25.81, "binding": 4.61, "selectivity": 0.67, "admet": 3.93, "novelty": 6.0, "synthesis": 3.52}, "detail": {"activity": {"pAct_q10": 6.148, "fraction": 0.86}, "binding": {"pIC50": 5.83, "LE": 0.25, "potency_term": 0.277, "efficiency_cap": 0.832}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.477, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.4, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.1484705386041645, "aff_pf": 0.1685910771290461, "aff_hs": 0.41181835532188416, "repeats_pf": {"runs": 3, "values": [0.165, 0.1386, 0.2021], "mean": 0.1686, "spread": 0.0635}, "repeats_hs": {"runs": 3, "values": [0.4262, 0.399, 0.4103], "mean": 0.4118, "spread": 0.0272}, "at": 1787011744}, "tier": 1, "relegate_reason": [], "submitted_at": 1787011430, "scored_at": 1787011744, "alerts": [], "rank": 2606}, {"candidate_id": "ODC-869EA8", "res_at": 1788081849, "skeleton": "NKURRHUHHXGPTH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.541, "axes": {"activity": 10.38, "binding": 13.13, "selectivity": 11.26, "admet": 4.48, "novelty": 2.1, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.223, "fraction": 0.346}, "binding": {"pIC50": 6.97, "LE": 0.434, "potency_term": 0.656, "efficiency_cap": 1.0}, "selectivity": {"fold": 51.9, "selectivity_term": 0.858, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.856, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.585, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.407, "herg": 0.407, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.681, "novelty": 0.319}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 5.222562696320752, "aff_pf": -0.9694131215413412, "aff_hs": 0.7460076411565145, "repeats_pf": {"runs": 3, "values": [-0.9278, -1.0098, -0.9707], "mean": -0.9694, "spread": 0.082}, "repeats_hs": {"runs": 3, "values": [0.9041, 0.7648, 0.5692], "mean": 0.746, "spread": 0.3349}, "at": 1788081849}, "tier": 1, "alerts": [], "total_sd": 0.741, "total_ci95": [43.078, 45.941], "relegate_reason": [], "submitted_at": 1788063236, "scored_at": 1788081849, "rank": 2607}, {"candidate_id": "ODC-859D7E", "res_at": 1789382602, "skeleton": "ZHVMCZNPVJJQCB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 44.54, "axes": {"activity": 9.79, "binding": 14.5, "selectivity": 8.26, "admet": 4.38, "novelty": 4.3, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.326}, "binding": {"pIC50": 7.17, "LE": 0.393, "potency_term": 0.725, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.957, "cyp2c9-veith": 0.537, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.443, "herg": 0.097, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.187697718536643, "aff_pf": -1.1747428973515828, "aff_hs": -0.03562557200590769, "repeats_pf": {"runs": 3, "values": [-1.0711, -1.175, -1.2782], "mean": -1.1747, "spread": 0.2071}, "repeats_hs": {"runs": 3, "values": [-0.0412, 0.1034, -0.169], "mean": -0.0356, "spread": 0.2724}, "at": 1789382602}, "tier": 1, "alerts": [], "total_sd": 1.298, "total_ci95": [42.316, 47.345], "relegate_reason": [], "submitted_at": 1789365863, "scored_at": 1789382602, "rank": 2608}, {"candidate_id": "ODC-F5D9BA", "res_at": 1786954704, "skeleton": "ZXGCJMWUMULALY", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-15", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.537, "axes": {"activity": 9.92, "binding": 13.55, "selectivity": 8.52, "admet": 5.93, "novelty": 3.32, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.331}, "binding": {"pIC50": 7.03, "LE": 0.507, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.65, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.268, "herg": 0.963, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.51, "novelty": 0.49}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.195396040486575, "aff_pf": -1.033003290494283, "aff_hs": 0.22407188018163046, "repeats_pf": {"runs": 3, "values": [-1.0554, -1.0106, -1.033], "mean": -1.033, "spread": 0.0448}, "repeats_hs": {"runs": 3, "values": [0.2112, 0.2226, 0.2384], "mean": 0.2241, "spread": 0.0272}, "at": 1786954704}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949100, "scored_at": 1786954704, "alerts": [], "rank": 2609}, {"candidate_id": "ODC-4F2216", "res_at": 1787266465, "skeleton": "TUURULMLNCZEQQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········2)CC1", "total": 44.531, "axes": {"activity": 19.82, "binding": 9.03, "selectivity": 5.51, "admet": 2.99, "novelty": 4.32, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.789, "fraction": 0.661}, "binding": {"pIC50": 6.61, "LE": 0.252, "potency_term": 0.538, "efficiency_cap": 0.839}, "selectivity": {"fold": 10.6, "selectivity_term": 0.512, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.959, "ld50-zhu": 0.676, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.788960491288126, "aff_pf": -0.613673985004425, "aff_hs": 0.4112780491511027, "repeats_pf": {"runs": 3, "values": [-0.6616, -0.5777, -0.6018], "mean": -0.6137, "spread": 0.0839}, "repeats_hs": {"runs": 3, "values": [0.3591, 0.4471, 0.4276], "mean": 0.4113, "spread": 0.088}, "at": 1787266465}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264820, "scored_at": 1787266465, "alerts": [], "rank": 2610}, {"candidate_id": "ODC-410BB3", "res_at": 1787493461, "skeleton": "UMBKSYNSMMFRRT", "hf_user": "takutoyo", "display_name": "PfD15-10", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.523, "axes": {"activity": 23.21, "binding": 8.58, "selectivity": 2.92, "admet": 3.3, "novelty": 3.57, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.993, "fraction": 0.774}, "binding": {"pIC50": 6.51, "LE": 0.255, "potency_term": 0.505, "efficiency_cap": 0.85}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.398, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.372, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.538, "novelty": 0.462}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.992651138684194, "aff_pf": -0.514388899008433, "aff_hs": 0.06321514149506886, "repeats_pf": {"runs": 3, "values": [-0.5826, -0.4738, -0.4868], "mean": -0.5144, "spread": 0.1089}, "repeats_hs": {"runs": 3, "values": [0.1606, 0.0436, -0.0146], "mean": 0.0632, "spread": 0.1752}, "at": 1787493461}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491583, "scored_at": 1787493461, "alerts": [], "rank": 2611}, {"candidate_id": "ODC-3BCAEA", "res_at": 1789968306, "skeleton": "XKXYKSYEXWCGQE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.515, "axes": {"activity": 16.97, "binding": 14.34, "selectivity": 3.47, "admet": 3.48, "novelty": 3.8, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.566}, "binding": {"pIC50": 7.15, "LE": 0.35, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.242, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.492, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.818, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "0", "pAct_q10": 5.618237329600557, "aff_pf": -1.151414394378662, "aff_hs": -0.6682356198628744, "repeats_pf": {"runs": 3, "values": [-1.0771, -1.3446, -1.0326], "mean": -1.1514, "spread": 0.312}, "repeats_hs": {"runs": 3, "values": [-0.5689, -0.8157, -0.6201], "mean": -0.6682, "spread": 0.2468}, "at": 1789968306}, "tier": 1, "alerts": [], "total_sd": 1.656, "total_ci95": [41.913, 47.989], "relegate_reason": [], "submitted_at": 1789919006, "scored_at": 1789968306, "rank": 2612}, {"candidate_id": "ODC-24DBEB", "res_at": 1790023596, "skeleton": "XPRUXYMQZYNTQX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)S··········)n2n1", "total": 44.514, "axes": {"activity": 21.75, "binding": 8.58, "selectivity": 2.93, "admet": 4.29, "novelty": 4.44, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.905, "fraction": 0.725}, "binding": {"pIC50": 6.29, "LE": 0.319, "potency_term": 0.429, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.657, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "0", "pAct_q10": 5.9052125156100175, "aff_pf": -0.28632940848668414, "aff_hs": 0.3970882097880046, "repeats_pf": {"runs": 3, "values": [-0.3154, -0.3534, -0.1902], "mean": -0.2863, "spread": 0.1631}, "repeats_hs": {"runs": 3, "values": [0.2891, 0.4527, 0.4495], "mean": 0.3971, "spread": 0.1636}, "at": 1790023596}, "tier": 1, "alerts": [], "total_sd": 0.586, "total_ci95": [43.277, 45.492], "relegate_reason": [], "submitted_at": 1790009065, "scored_at": 1790023596, "rank": 2613}, {"candidate_id": "ODC-A4C7C6", "res_at": 1787513440, "skeleton": "IUBWJIRJEOEEID", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-CONQ01]", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Cc··········nc2n1", "total": 44.505, "axes": {"activity": 20.81, "binding": 8.24, "selectivity": 5.45, "admet": 3.69, "novelty": 3.47, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.849, "fraction": 0.694}, "binding": {"pIC50": 6.29, "LE": 0.287, "potency_term": 0.43, "efficiency_cap": 0.958}, "selectivity": {"fold": 18.5, "selectivity_term": 0.634, "target_engagement": 0.43}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.995, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.788, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.848759642164761, "aff_pf": -0.29024020830790204, "aff_hs": 0.9769641558329264, "repeats_pf": {"runs": 3, "values": [-0.3033, -0.2552, -0.3123], "mean": -0.2902, "spread": 0.057}, "repeats_hs": {"runs": 3, "values": [1.105, 0.8468, 0.979], "mean": 0.977, "spread": 0.2582}, "at": 1787513440}, "tier": 1, "relegate_reason": [], "submitted_at": 1787513238, "scored_at": 1787513440, "alerts": [], "rank": 2614}, {"candidate_id": "ODC-A39100", "res_at": 1788328032, "skeleton": "IQYLTKHXMGZZPR", "hf_user": "Bio-JS", "display_name": "0902C-S1-09", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 44.492, "axes": {"activity": 17.85, "binding": 10.88, "selectivity": 7.36, "admet": 2.08, "novelty": 4.18, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.671, "fraction": 0.595}, "binding": {"pIC50": 6.95, "LE": 0.251, "potency_term": 0.651, "efficiency_cap": 0.836}, "selectivity": {"fold": 13.5, "selectivity_term": 0.565, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.271, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.504, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 5.67109214648485, "aff_pf": -0.9532928665479025, "aff_hs": 0.1775714804728826, "repeats_pf": {"runs": 3, "values": [-0.9152, -0.9229, -1.0218], "mean": -0.9533, "spread": 0.1066}, "repeats_hs": {"runs": 3, "values": [0.4431, -0.0049, 0.0945], "mean": 0.1776, "spread": 0.448}, "at": 1788328032}, "tier": 1, "alerts": [], "total_sd": 0.88, "total_ci95": [42.924, 46.174], "relegate_reason": [], "submitted_at": 1788327270, "scored_at": 1788328032, "rank": 2615}, {"candidate_id": "ODC-CF1173", "res_at": 1786845210, "skeleton": "ZLKAPPDHSYUHHR", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.483, "axes": {"activity": 9.1, "binding": 15.5, "selectivity": 10.65, "admet": 5.35, "novelty": 0.0, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 5.146, "fraction": 0.303}, "binding": {"pIC50": 7.33, "LE": 0.401, "potency_term": 0.775, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.6, "selectivity_term": 0.687, "target_engagement": 0.775}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.823, "cyp2c9-veith": 0.555, "cyp3a4-substrate-carbonmangels": 0.846, "ld50-zhu": 0.43, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "1", "pAct_q10": 5.146284771292961, "aff_pf": -1.3256545861562092, "aff_hs": 0.0475928025941054, "repeats_pf": {"runs": 3, "values": [-1.3232, -1.3389, -1.3149], "mean": -1.3257, "spread": 0.024}, "repeats_hs": {"runs": 3, "values": [-0.0292, 0.0952, 0.0767], "mean": 0.0476, "spread": 0.1244}, "at": 1786845210}, "tier": 1, "relegate_reason": [], "submitted_at": 1786844906, "scored_at": 1786845210, "alerts": [], "rank": 2616}, {"candidate_id": "ODC-3996BD", "res_at": 1787250673, "skeleton": "NGJWAHIIOWNEAU", "hf_user": "1Dmeds", "display_name": "ODC26-R15-30", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 44.48, "axes": {"activity": 21.27, "binding": 10.59, "selectivity": 2.52, "admet": 2.85, "novelty": 4.17, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.876, "fraction": 0.709}, "binding": {"pIC50": 6.59, "LE": 0.301, "potency_term": 0.529, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.238, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.164, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.792, "ld50-zhu": 0.582, "herg": 0.057, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.876390973931051, "aff_pf": -0.5883945226669312, "aff_hs": -0.1130386417110761, "repeats_pf": {"runs": 3, "values": [-0.9693, -0.4634, -0.3324], "mean": -0.5884, "spread": 0.6369}, "repeats_hs": {"runs": 3, "values": [-0.2297, 0.0628, -0.1722], "mean": -0.113, "spread": 0.2924}, "at": 1787250673}, "tier": 1, "relegate_reason": [], "submitted_at": 1787242210, "scored_at": 1787250673, "alerts": [], "rank": 2617}, {"candidate_id": "ODC-027A39", "res_at": 1787421964, "skeleton": "GSRWPRVSRMSZBV", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 44.462, "axes": {"activity": 20.6, "binding": 8.23, "selectivity": 5.21, "admet": 2.83, "novelty": 4.67, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.836, "fraction": 0.687}, "binding": {"pIC50": 6.56, "LE": 0.237, "potency_term": 0.521, "efficiency_cap": 0.789}, "selectivity": {"fold": 10.0, "selectivity_term": 0.499, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.073, "caco2-wang": 0.496, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.818, "ld50-zhu": 0.771, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.835760637927995, "aff_pf": -0.5644645194212595, "aff_hs": 0.43443583448727924, "repeats_pf": {"runs": 3, "values": [-0.4912, -0.4765, -0.7257], "mean": -0.5645, "spread": 0.2493}, "repeats_hs": {"runs": 3, "values": [0.4493, 0.4615, 0.3925], "mean": 0.4344, "spread": 0.0689}, "at": 1787421964}, "tier": 1, "relegate_reason": [], "submitted_at": 1787421009, "scored_at": 1787421964, "alerts": [], "rank": 2618}, {"candidate_id": "ODC-E6DB0E", "res_at": 1786873348, "skeleton": "XVRQHOLCJPAXFX", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.456, "axes": {"activity": 16.65, "binding": 13.18, "selectivity": 5.71, "admet": 3.84, "novelty": 2.77, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 6.98, "LE": 0.382, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.274, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.425}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.598710455772444, "aff_pf": -0.9765410621960958, "aff_hs": -0.10941861569881439, "repeats_pf": {"runs": 3, "values": [-0.9929, -0.9636, -0.9732], "mean": -0.9765, "spread": 0.0293}, "repeats_hs": {"runs": 3, "values": [-0.0912, -0.1065, -0.1305], "mean": -0.1094, "spread": 0.0393}, "at": 1786873348}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866620, "scored_at": 1786873348, "alerts": [], "rank": 2619}, {"candidate_id": "ODC-9AC16E", "res_at": 1789325483, "skeleton": "CIYYJHRTPNRLMW", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-03_THPO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.427, "axes": {"activity": 17.46, "binding": 13.16, "selectivity": 1.96, "admet": 4.7, "novelty": 4.1, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.648, "fraction": 0.582}, "binding": {"pIC50": 6.97, "LE": 0.367, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.263, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.647583235056459, "aff_pf": -0.9741944670677185, "aff_hs": -0.6766080458958944, "repeats_pf": {"runs": 3, "values": [-1.0869, -0.8368, -0.9989], "mean": -0.9742, "spread": 0.2502}, "repeats_hs": {"runs": 3, "values": [-0.6778, -0.6539, -0.6981], "mean": -0.6766, "spread": 0.0441}, "at": 1789325483}, "tier": 1, "alerts": [], "total_sd": 1.275, "total_ci95": [41.668, 46.704], "relegate_reason": [], "submitted_at": 1789318273, "scored_at": 1789325483, "rank": 2620}, {"candidate_id": "ODC-D578C8", "res_at": 1789885678, "skeleton": "WWNRMJUGQBZZQB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 44.422, "axes": {"activity": 17.25, "binding": 13.2, "selectivity": 3.91, "admet": 3.57, "novelty": 3.74, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.635, "fraction": 0.575}, "binding": {"pIC50": 6.98, "LE": 0.33, "potency_term": 0.66, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.296, "target_engagement": 0.66}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.542, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.6349995991463135, "aff_pf": -0.9804780681927999, "aff_hs": -0.3875940938790639, "repeats_pf": {"runs": 3, "values": [-0.9956, -0.9091, -1.0368], "mean": -0.9805, "spread": 0.1277}, "repeats_hs": {"runs": 3, "values": [-0.4431, -0.3713, -0.3484], "mean": -0.3876, "spread": 0.0946}, "at": 1789885678}, "tier": 1, "alerts": [], "total_sd": 0.637, "total_ci95": [42.989, 45.455], "relegate_reason": [], "submitted_at": 1789657822, "scored_at": 1789885678, "rank": 2621}, {"candidate_id": "ODC-73434B", "res_at": 1787068253, "skeleton": "ZVXOQVVABXTVEW", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LA07", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Oc··········)n2n1", "total": 44.413, "axes": {"activity": 12.01, "binding": 14.82, "selectivity": 5.59, "admet": 4.15, "novelty": 4.8, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.32, "fraction": 0.4}, "binding": {"pIC50": 7.22, "LE": 0.396, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.45, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.603, "ld50-zhu": 0.806, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.320465284918801, "aff_pf": -1.2237311999003093, "aff_hs": -0.4691488842169444, "repeats_pf": {"runs": 3, "values": [-1.1751, -1.2054, -1.2906], "mean": -1.2237, "spread": 0.1155}, "repeats_hs": {"runs": 3, "values": [-0.4299, -0.6197, -0.3578], "mean": -0.4691, "spread": 0.2619}, "at": 1787068253}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064691, "scored_at": 1787068253, "alerts": [], "rank": 2622}, {"candidate_id": "ODC-CF373E", "res_at": 1788993412, "skeleton": "HXEAMXAVMNKEQQ", "hf_user": "Bio-JS", "display_name": "0910-S1-01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.413, "axes": {"activity": 10.68, "binding": 12.68, "selectivity": 11.13, "admet": 4.77, "novelty": 2.15, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.241, "fraction": 0.356}, "binding": {"pIC50": 6.9, "LE": 0.411, "potency_term": 0.634, "efficiency_cap": 1.0}, "selectivity": {"fold": 57.0, "selectivity_term": 0.878, "target_engagement": 0.634}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.569, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.703, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.378, "herg": 0.804, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.240757887054778, "aff_pf": -0.9015977183977762, "aff_hs": 0.854523758093516, "repeats_pf": {"runs": 3, "values": [-0.9901, -0.8823, -0.8325], "mean": -0.9016, "spread": 0.1576}, "repeats_hs": {"runs": 3, "values": [0.8472, 0.805, 0.9113], "mean": 0.8545, "spread": 0.1063}, "at": 1788993412}, "tier": 1, "alerts": [], "total_sd": 1.019, "total_ci95": [42.895, 46.663], "relegate_reason": [], "submitted_at": 1788993230, "scored_at": 1788993412, "rank": 2623}, {"candidate_id": "ODC-533DE8", "res_at": 1789341146, "skeleton": "DKHFDFDWUKRCJE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.394, "axes": {"activity": 14.64, "binding": 12.3, "selectivity": 7.16, "admet": 4.56, "novelty": 3.28, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.488}, "binding": {"pIC50": 6.84, "LE": 0.375, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.6, "selectivity_term": 0.582, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.545, "cyp3a4-substrate-carbonmangels": 0.14, "ld50-zhu": 0.436, "herg": 0.807, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.4785100609182305, "aff_pf": -0.8449196815490723, "aff_hs": 0.31948431332906085, "repeats_pf": {"runs": 3, "values": [-0.856, -0.8596, -0.8191], "mean": -0.8449, "spread": 0.0405}, "repeats_hs": {"runs": 3, "values": [0.2561, 0.2546, 0.4478], "mean": 0.3195, "spread": 0.1932}, "at": 1789341146}, "tier": 1, "alerts": [], "total_sd": 0.41, "total_ci95": [43.697, 45.094], "relegate_reason": [], "submitted_at": 1789338605, "scored_at": 1789341146, "rank": 2624}, {"candidate_id": "ODC-1C5931", "res_at": 1788766395, "skeleton": "BMELUZYWRKIZKM", "hf_user": "Bio-JS", "display_name": "0906-S1-10 OCHF2/CN/R6-H/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 44.378, "axes": {"activity": 9.94, "binding": 15.46, "selectivity": 6.19, "admet": 4.98, "novelty": 4.76, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.196, "fraction": 0.331}, "binding": {"pIC50": 7.32, "LE": 0.386, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.401, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.711, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.196469815498431, "aff_pf": -1.3193591435750325, "aff_hs": -0.5181097785631815, "repeats_pf": {"runs": 3, "values": [-1.3897, -1.3019, -1.2665], "mean": -1.3194, "spread": 0.1232}, "repeats_hs": {"runs": 3, "values": [-0.5289, -0.5164, -0.509], "mean": -0.5181, "spread": 0.02}, "at": 1788766395}, "tier": 1, "alerts": [], "total_sd": 0.662, "total_ci95": [43.406, 45.963], "relegate_reason": [], "submitted_at": 1788665962, "scored_at": 1788766395, "rank": 2625}, {"candidate_id": "ODC-B6FF40", "res_at": 1789950616, "skeleton": "RJZBIDJXRDPACB", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.369, "axes": {"activity": 19.13, "binding": 8.24, "selectivity": 7.24, "admet": 2.96, "novelty": 4.17, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.748, "fraction": 0.638}, "binding": {"pIC50": 6.46, "LE": 0.253, "potency_term": 0.488, "efficiency_cap": 0.843}, "selectivity": {"fold": 30.4, "selectivity_term": 0.741, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.054, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.562, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.747999619863367, "aff_pf": -0.46457381049791974, "aff_hs": 1.0180236101150513, "repeats_pf": {"runs": 3, "values": [-0.5234, -0.4572, -0.4131], "mean": -0.4646, "spread": 0.1103}, "repeats_hs": {"runs": 3, "values": [1.0582, 1.1217, 0.8741], "mean": 1.018, "spread": 0.2476}, "at": 1789950616}, "tier": 1, "alerts": [], "total_sd": 0.544, "total_ci95": [43.429, 45.475], "relegate_reason": [], "submitted_at": 1789837474, "scored_at": 1789950616, "rank": 2626}, {"candidate_id": "ODC-915156", "res_at": 1787185409, "skeleton": "LAFFKFHMSYWHBV", "hf_user": "Ku-ku", "display_name": "L1_vinyl_SCHF2_FBiPh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 44.359, "axes": {"activity": 21.07, "binding": 7.79, "selectivity": 4.91, "admet": 3.15, "novelty": 4.26, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.864, "fraction": 0.702}, "binding": {"pIC50": 6.2, "LE": 0.293, "potency_term": 0.399, "efficiency_cap": 0.976}, "selectivity": {"fold": 17.0, "selectivity_term": 0.615, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.49, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.195, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.348, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.864393327608816, "aff_pf": -0.19728789230187735, "aff_hs": 1.0334873994191487, "repeats_pf": {"runs": 3, "values": [0.0082, -0.4949, -0.1052], "mean": -0.1973, "spread": 0.5031}, "repeats_hs": {"runs": 3, "values": [1.0817, 0.9128, 1.106], "mean": 1.0335, "spread": 0.1932}, "at": 1787185409}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184056, "scored_at": 1787185409, "alerts": [], "rank": 2627}, {"candidate_id": "ODC-7B45A5", "res_at": 1787039401, "skeleton": "FUTVCGUBDXCIOS", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CS··········)n2n1", "total": 44.351, "axes": {"activity": 12.68, "binding": 13.54, "selectivity": 7.94, "admet": 2.82, "novelty": 4.45, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.361, "fraction": 0.423}, "binding": {"pIC50": 7.03, "LE": 0.37, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.360507496651219, "aff_pf": -1.031375269095103, "aff_hs": 0.14190351963043213, "repeats_pf": {"runs": 3, "values": [-0.9502, -0.9131, -1.2308], "mean": -1.0314, "spread": 0.3177}, "repeats_hs": {"runs": 3, "values": [0.0833, -0.0327, 0.3751], "mean": 0.1419, "spread": 0.4078}, "at": 1787039401}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035819, "scored_at": 1787039401, "alerts": [], "rank": 2628}, {"candidate_id": "ODC-E77E4B", "res_at": 1786861267, "skeleton": "AFDFSKSGJNVMHU", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G6-TetralinF", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.344, "axes": {"activity": 10.13, "binding": 16.2, "selectivity": 5.64, "admet": 4.24, "novelty": 4.57, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 7.43, "LE": 0.424, "potency_term": 0.81, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.81}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.321, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.2078878676680675, "aff_pf": -1.430222511291504, "aff_hs": -0.7342231869697571, "repeats_pf": {"runs": 3, "values": [-1.4047, -1.4473, -1.4387], "mean": -1.4302, "spread": 0.0426}, "repeats_hs": {"runs": 3, "values": [-0.7116, -0.7424, -0.7486], "mean": -0.7342, "spread": 0.037}, "at": 1786861267}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854162, "scored_at": 1786861267, "alerts": [], "rank": 2629}, {"candidate_id": "ODC-AA59ED", "res_at": 1787519211, "skeleton": "YLEYSXOMPZHIJG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-TRI02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.335, "axes": {"activity": 15.3, "binding": 13.6, "selectivity": 4.88, "admet": 4.12, "novelty": 3.87, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 7.04, "LE": 0.344, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.358, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.11, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.448, "ld50-zhu": 0.697, "herg": 0.058, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.517966379719279, "aff_pf": -1.0401640335718791, "aff_hs": -0.32328548034032184, "repeats_pf": {"runs": 3, "values": [-1.0684, -1.0204, -1.0317], "mean": -1.0402, "spread": 0.0481}, "repeats_hs": {"runs": 3, "values": [-0.2661, -0.4257, -0.278], "mean": -0.3233, "spread": 0.1596}, "at": 1787519211}, "tier": 1, "relegate_reason": [], "submitted_at": 1787518839, "scored_at": 1787519211, "alerts": [], "rank": 2630}, {"candidate_id": "ODC-8CE67E", "res_at": 1786796024, "skeleton": "ZFCBALVFYNOLMP", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "Deepseek v4 flash", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.325, "axes": {"activity": 12.17, "binding": 13.9, "selectivity": 8.4, "admet": 4.52, "novelty": 1.95, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 7.08, "LE": 0.404, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.1, "selectivity_term": 0.604, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.315, "herg": 0.265, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.3302524900201025, "aff_pf": -1.0849392612775166, "aff_hs": 0.12323132902383804, "repeats_pf": {"runs": 3, "values": [-1.1336, -1.1782, -0.943], "mean": -1.0849, "spread": 0.2352}, "repeats_hs": {"runs": 3, "values": [0.0818, 0.1108, 0.1771], "mean": 0.1232, "spread": 0.0952}, "at": 1786796024}, "tier": 1, "relegate_reason": [], "submitted_at": 1786784532, "scored_at": 1786796024, "alerts": [], "rank": 2631}, {"candidate_id": "ODC-99A0EA", "res_at": 1786845087, "skeleton": "NJKXKUNRHYPTHA", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 44.3, "axes": {"activity": 11.89, "binding": 13.41, "selectivity": 8.86, "admet": 4.76, "novelty": 2.1, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.313, "fraction": 0.396}, "binding": {"pIC50": 7.01, "LE": 0.457, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 0.467, "ld50-zhu": 0.265, "herg": 0.342, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.313241665735111, "aff_pf": -1.0121090014775593, "aff_hs": 0.30867570638656616, "repeats_pf": {"runs": 3, "values": [-1.0569, -0.9309, -1.0486], "mean": -1.0121, "spread": 0.126}, "repeats_hs": {"runs": 3, "values": [0.2765, 0.3318, 0.3176], "mean": 0.3087, "spread": 0.0553}, "at": 1786845087}, "tier": 1, "relegate_reason": [], "submitted_at": 1786838742, "scored_at": 1786845087, "alerts": [], "rank": 2632}, {"candidate_id": "ODC-7F4BB3", "res_at": 1787871716, "skeleton": "XASXBERQDCZSBI", "hf_user": "Bio-JS", "display_name": "가지: 사이클로프로필", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 44.292, "axes": {"activity": 20.38, "binding": 10.33, "selectivity": 3.51, "admet": 2.88, "novelty": 4.48, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.823, "fraction": 0.679}, "binding": {"pIC50": 6.88, "LE": 0.248, "potency_term": 0.625, "efficiency_cap": 0.826}, "selectivity": {"fold": 3.6, "selectivity_term": 0.281, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.406, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.515, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.823085025379796, "aff_pf": -0.8758440017700195, "aff_hs": -0.3139355679353078, "repeats_pf": {"runs": 3, "values": [-0.8612, -0.9211, -0.8453], "mean": -0.8758, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [-0.5515, -0.1907, -0.1996], "mean": -0.3139, "spread": 0.3608}, "at": 1787849495}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795888, "scored_at": 1787849495, "alerts": [], "rank": 2633}, {"candidate_id": "ODC-69DF24", "res_at": 1788535764, "skeleton": "DVLYAUYUAAAEID", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 44.292, "axes": {"activity": 11.98, "binding": 13.43, "selectivity": 8.23, "admet": 4.9, "novelty": 2.47, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.319, "fraction": 0.399}, "binding": {"pIC50": 7.01, "LE": 0.418, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.613, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.612, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.403, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.318972245050327, "aff_pf": -1.01393989721934, "aff_hs": 0.2119018683830897, "repeats_pf": {"runs": 3, "values": [-1.0344, -1.0583, -0.9491], "mean": -1.0139, "spread": 0.1092}, "repeats_hs": {"runs": 3, "values": [0.1654, 0.2775, 0.1929], "mean": 0.2119, "spread": 0.1121}, "at": 1788535764}, "tier": 1, "alerts": [], "total_sd": 0.613, "total_ci95": [43.162, 45.318], "relegate_reason": [], "submitted_at": 1788489541, "scored_at": 1788535764, "rank": 2634}, {"candidate_id": "ODC-2DD156", "res_at": 1786982715, "skeleton": "NQVFVNILYPLQHO", "hf_user": "1Dmeds", "display_name": "ODC26-R7A-17", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········2)c1F", "total": 44.291, "axes": {"activity": 10.66, "binding": 13.95, "selectivity": 7.71, "admet": 4.75, "novelty": 4.27, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.24, "fraction": 0.355}, "binding": {"pIC50": 7.09, "LE": 0.422, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.8, "selectivity_term": 0.553, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.337, "herg": 0.34, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 5.239567966847485, "aff_pf": -1.0922427972157795, "aff_hs": 0.013587996363639832, "repeats_pf": {"runs": 3, "values": [-1.049, -1.1048, -1.1229], "mean": -1.0922, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [-0.0632, -0.0156, 0.1195], "mean": 0.0136, "spread": 0.1827}, "at": 1786982715}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979481, "scored_at": 1786982715, "alerts": [], "rank": 2635}, {"candidate_id": "ODC-99BC63", "res_at": 1786956970, "skeleton": "HAQGTOWGTYFTPG", "hf_user": "amadeus0710", "display_name": "frederic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)(··········)n2n1", "total": 44.288, "axes": {"activity": 13.78, "binding": 13.49, "selectivity": 7.78, "admet": 3.86, "novelty": 2.77, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.459}, "binding": {"pIC50": 7.02, "LE": 0.332, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.576, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.87, "cyp2c9-veith": 0.203, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.709, "herg": 0.111, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.42656470927097, "aff_pf": -1.0241056680679321, "aff_hs": 0.12860382348299026, "repeats_pf": {"runs": 3, "values": [-0.9661, -1.0262, -1.0801], "mean": -1.0241, "spread": 0.114}, "repeats_hs": {"runs": 3, "values": [0.0035, 0.2223, 0.1601], "mean": 0.1286, "spread": 0.2188}, "at": 1786956970}, "tier": 1, "relegate_reason": [], "submitted_at": 1786955273, "scored_at": 1786956970, "alerts": [], "rank": 2636}, {"candidate_id": "ODC-5AF026", "res_at": 1786976626, "skeleton": "PVWVJKUXDOYENI", "hf_user": "takutoyo", "display_name": "PfD3-07", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 44.272, "axes": {"activity": 21.18, "binding": 7.41, "selectivity": 4.58, "admet": 4.23, "novelty": 3.94, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.871, "fraction": 0.706}, "binding": {"pIC50": 6.31, "LE": 0.254, "potency_term": 0.437, "efficiency_cap": 0.848}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 0.956, "pgp-broccatelli": 0.499, "cyp2c9-veith": 0.544, "cyp3a4-substrate-carbonmangels": 0.758, "ld50-zhu": 0.775, "herg": 0.05, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.8706949670245905, "aff_pf": -0.3109983205795288, "aff_hs": 0.7374545137087504, "repeats_pf": {"runs": 3, "values": [-0.351, -0.297, -0.285], "mean": -0.311, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [0.7262, 0.8372, 0.649], "mean": 0.7375, "spread": 0.1882}, "at": 1786976626}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975727, "scored_at": 1786976626, "alerts": [], "rank": 2637}, {"candidate_id": "ODC-9696F6", "res_at": 1788132654, "skeleton": "VRVGJSBKVAHFTK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.252, "axes": {"activity": 17.78, "binding": 10.9, "selectivity": 7.01, "admet": 2.45, "novelty": 3.25, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.667, "fraction": 0.593}, "binding": {"pIC50": 6.64, "LE": 0.303, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.3, "selectivity_term": 0.643, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.668, "ld50-zhu": 0.577, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.666552419303916, "aff_pf": -0.6355144182840983, "aff_hs": 0.6495323379834493, "repeats_pf": {"runs": 3, "values": [-0.6641, -0.6118, -0.6307], "mean": -0.6355, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [0.684, 0.586, 0.6786], "mean": 0.6495, "spread": 0.098}, "at": 1788132654}, "tier": 1, "alerts": [], "total_sd": 0.255, "total_ci95": [43.726, 44.729], "relegate_reason": [], "submitted_at": 1788132284, "scored_at": 1788132654, "rank": 2638}, {"candidate_id": "ODC-D5FD2B", "res_at": 1787040746, "skeleton": "ZQNVUEXLYMWMAR", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Cl", "total": 44.234, "axes": {"activity": 10.81, "binding": 13.17, "selectivity": 9.09, "admet": 4.69, "novelty": 3.76, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.36}, "binding": {"pIC50": 6.97, "LE": 0.415, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.0, "selectivity_term": 0.69, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.373, "cyp3a4-substrate-carbonmangels": 0.495, "ld50-zhu": 0.467, "herg": 0.376, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.248888947960557, "aff_pf": -0.9748249053955078, "aff_hs": 0.4057940145333608, "repeats_pf": {"runs": 3, "values": [-1.047, -0.8943, -0.9832], "mean": -0.9748, "spread": 0.1527}, "repeats_hs": {"runs": 3, "values": [0.219, 0.594, 0.4044], "mean": 0.4058, "spread": 0.375}, "at": 1787040746}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038275, "scored_at": 1787040746, "alerts": [], "rank": 2639}, {"candidate_id": "ODC-154310", "res_at": 1787229600, "skeleton": "ZUDWJPCPZQKPOJ", "hf_user": "takutoyo", "display_name": "PfD10-13", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 44.232, "axes": {"activity": 14.66, "binding": 12.87, "selectivity": 5.14, "admet": 5.9, "novelty": 3.27, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.489}, "binding": {"pIC50": 6.93, "LE": 0.38, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.611, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.988, "ld50-zhu": 0.474, "herg": 0.675, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.479450411978287, "aff_pf": -0.9309049050013224, "aff_hs": -0.13163734724124274, "repeats_pf": {"runs": 3, "values": [-1.1552, -0.8711, -0.7664], "mean": -0.9309, "spread": 0.3888}, "repeats_hs": {"runs": 3, "values": [-0.0143, -0.1667, -0.2139], "mean": -0.1316, "spread": 0.1996}, "at": 1787229600}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787227300, "scored_at": 1787229600, "rank": 2640}, {"candidate_id": "ODC-845276", "res_at": 1788237963, "skeleton": "BPVYLLLWLZATAG", "hf_user": "Bio-JS", "display_name": "0901-S1 코어메틸 삭제 [음성대조]", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 44.23, "axes": {"activity": 18.47, "binding": 11.62, "selectivity": 5.51, "admet": 2.85, "novelty": 3.17, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.708, "fraction": 0.616}, "binding": {"pIC50": 6.89, "LE": 0.277, "potency_term": 0.628, "efficiency_cap": 0.925}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.459, "caco2-wang": 0.456, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.386, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.708001058692699, "aff_pf": -0.885184665520986, "aff_hs": -0.00840572981784741, "repeats_pf": {"runs": 3, "values": [-0.7986, -0.8792, -0.9778], "mean": -0.8852, "spread": 0.1793}, "repeats_hs": {"runs": 3, "values": [-0.0142, -0.0338, 0.0228], "mean": -0.0084, "spread": 0.0566}, "at": 1788237963}, "tier": 1, "alerts": [], "total_sd": 0.748, "total_ci95": [42.898, 45.879], "relegate_reason": [], "submitted_at": 1788222334, "scored_at": 1788237963, "rank": 2641}, {"candidate_id": "ODC-661FF8", "res_at": 1789231618, "skeleton": "RHOFAXMRXSIQSF", "hf_user": "Bio-JS", "display_name": "0913-S1-div08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 44.226, "axes": {"activity": 19.48, "binding": 10.25, "selectivity": 4.63, "admet": 3.43, "novelty": 3.68, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.769, "fraction": 0.649}, "binding": {"pIC50": 6.54, "LE": 0.332, "potency_term": 0.512, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.512}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.11, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.771, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.619, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.768648860896091, "aff_pf": -0.5373180905977885, "aff_hs": 0.3670240839322408, "repeats_pf": {"runs": 3, "values": [-0.5787, -0.416, -0.6172], "mean": -0.5373, "spread": 0.2012}, "repeats_hs": {"runs": 3, "values": [0.2669, 0.4928, 0.3414], "mean": 0.367, "spread": 0.2259}, "at": 1789231618}, "tier": 1, "alerts": [], "total_sd": 0.789, "total_ci95": [42.757, 45.504], "relegate_reason": [], "submitted_at": 1789226304, "scored_at": 1789231618, "rank": 2642}, {"candidate_id": "ODC-75E378", "res_at": 1789994256, "skeleton": "SONKLARVJPFBDX", "hf_user": "Bio-JS", "display_name": "0921-S1-08", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.21, "axes": {"activity": 12.02, "binding": 12.82, "selectivity": 10.09, "admet": 4.8, "novelty": 1.34, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.401}, "binding": {"pIC50": 6.92, "LE": 0.452, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.6, "selectivity_term": 0.788, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.349, "herg": 0.508, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.791, "novelty": 0.209}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.321206941139043, "aff_pf": -0.9223980903625488, "aff_hs": 0.6526204943656921, "repeats_pf": {"runs": 3, "values": [-0.9205, -0.9342, -0.9125], "mean": -0.9224, "spread": 0.0218}, "repeats_hs": {"runs": 3, "values": [0.7431, 0.7691, 0.4457], "mean": 0.6526, "spread": 0.3234}, "at": 1789994256}, "tier": 1, "alerts": [], "total_sd": 0.515, "total_ci95": [43.41, 45.127], "relegate_reason": [], "submitted_at": 1789989873, "scored_at": 1789994256, "rank": 2643}, {"candidate_id": "ODC-5DA0DB", "res_at": 1787408147, "skeleton": "LIJMFXIQUIJXIX", "hf_user": "takutoyo", "display_name": "PfD13-08", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 44.202, "axes": {"activity": 23.39, "binding": 9.49, "selectivity": 0.18, "admet": 3.27, "novelty": 5.57, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 6.003, "fraction": 0.78}, "binding": {"pIC50": 6.64, "LE": 0.26, "potency_term": 0.547, "efficiency_cap": 0.867}, "selectivity": {"fold": 1.1, "selectivity_term": 0.016, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.276, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.169, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.449, "ld50-zhu": 0.652, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "3", "pAct_q10": 6.003373858661032, "aff_pf": -0.6422192056973776, "aff_hs": -0.6101075410842896, "repeats_pf": {"runs": 3, "values": [-0.5215, -0.8173, -0.5879], "mean": -0.6422, "spread": 0.2957}, "repeats_hs": {"runs": 3, "values": [-0.6081, -0.6334, -0.5888], "mean": -0.6101, "spread": 0.0446}, "at": 1787408147}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406714, "scored_at": 1787408147, "alerts": [], "rank": 2644}, {"candidate_id": "ODC-DD245D", "res_at": 1787732395, "skeleton": "ZQEZYHGGTNZUQS", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5F-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 44.176, "axes": {"activity": 28.17, "binding": 2.16, "selectivity": 0.0, "admet": 3.66, "novelty": 6.34, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.29, "fraction": 0.939}, "binding": {"pIC50": 5.43, "LE": 0.225, "potency_term": 0.143, "efficiency_cap": 0.751}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.143}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.051, "ld50-zhu": 0.675, "herg": 0.062, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.290409627134833, "aff_pf": 0.5695131719112396, "aff_hs": -0.19487964610258737, "repeats_pf": {"runs": 3, "values": [0.5927, 0.671, 0.4448], "mean": 0.5695, "spread": 0.2262}, "repeats_hs": {"runs": 3, "values": [-0.2737, -0.0324, -0.2785], "mean": -0.1949, "spread": 0.2461}, "at": 1787732395}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728382, "scored_at": 1787732395, "alerts": [], "rank": 2645}, {"candidate_id": "ODC-16BA3B", "res_at": 1789187303, "skeleton": "HNCZQBHBONTQQK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 44.176, "axes": {"activity": 17.2, "binding": 10.75, "selectivity": 5.85, "admet": 4.94, "novelty": 2.76, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.632, "fraction": 0.573}, "binding": {"pIC50": 6.61, "LE": 0.377, "potency_term": 0.538, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.544, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.987, "ld50-zhu": 0.425, "herg": 0.578, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.631729467902602, "aff_pf": -0.6125944455464681, "aff_hs": 0.4758578638235728, "repeats_pf": {"runs": 3, "values": [-0.7008, -0.5052, -0.6318], "mean": -0.6126, "spread": 0.1957}, "repeats_hs": {"runs": 3, "values": [0.4939, 0.4343, 0.4994], "mean": 0.4759, "spread": 0.0651}, "at": 1789187303}, "tier": 1, "alerts": [], "total_sd": 0.749, "total_ci95": [42.541, 45.595], "relegate_reason": [], "submitted_at": 1789174561, "scored_at": 1789187303, "rank": 2646}, {"candidate_id": "ODC-3267A5", "res_at": 1788065116, "skeleton": "AUUDWVSKDGQTLE", "hf_user": "Bio-JS", "display_name": "21 A6 2-바이닐/3-F", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········)n2n1", "total": 44.145, "axes": {"activity": 23.61, "binding": 8.14, "selectivity": 0.78, "admet": 3.07, "novelty": 5.56, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 6.016, "fraction": 0.787}, "binding": {"pIC50": 6.55, "LE": 0.236, "potency_term": 0.517, "efficiency_cap": 0.787}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.517}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.016352281413849, "aff_pf": -0.551702638467153, "aff_hs": -0.40090662240982056, "repeats_pf": {"runs": 3, "values": [-0.5132, -0.6536, -0.4883], "mean": -0.5517, "spread": 0.1653}, "repeats_hs": {"runs": 3, "values": [-0.3098, -0.3809, -0.512], "mean": -0.4009, "spread": 0.2022}, "at": 1788065116}, "tier": 1, "alerts": [], "total_sd": 0.576, "total_ci95": [43.151, 45.209], "relegate_reason": [], "submitted_at": 1788017480, "scored_at": 1788065116, "rank": 2647}, {"candidate_id": "ODC-69037E", "res_at": 1788556839, "skeleton": "DPHRUAHGVDVYPN", "hf_user": "1Dmeds", "display_name": "ODC26-S1D04", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 44.144, "axes": {"activity": 15.84, "binding": 11.88, "selectivity": 6.93, "admet": 3.2, "novelty": 4.14, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.55, "fraction": 0.528}, "binding": {"pIC50": 6.92, "LE": 0.279, "potency_term": 0.639, "efficiency_cap": 0.929}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.453, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.33, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.654, "herg": 0.05, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 5.5503551969995275, "aff_pf": -0.9177440404891968, "aff_hs": 0.16559730966885886, "repeats_pf": {"runs": 3, "values": [-0.9629, -0.9215, -0.8688], "mean": -0.9177, "spread": 0.0941}, "repeats_hs": {"runs": 3, "values": [0.1664, 0.1901, 0.1403], "mean": 0.1656, "spread": 0.0497}, "at": 1788556839}, "tier": 1, "alerts": [], "total_sd": 0.515, "total_ci95": [43.284, 45.3], "relegate_reason": [], "submitted_at": 1788555347, "scored_at": 1788556839, "rank": 2648}, {"candidate_id": "ODC-9DE1E2", "res_at": 1789901611, "skeleton": "BJWSGOCODGAIKI", "hf_user": "Bio-JS", "display_name": "0918-S1-div10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 44.124, "axes": {"activity": 14.77, "binding": 12.46, "selectivity": 7.72, "admet": 2.89, "novelty": 3.61, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 6.87, "LE": 0.349, "potency_term": 0.623, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.363, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.14, "ld50-zhu": 0.583, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.4862520065399005, "aff_pf": -0.8686708609263102, "aff_hs": 0.369990736246109, "repeats_pf": {"runs": 3, "values": [-0.8371, -0.9297, -0.8392], "mean": -0.8687, "spread": 0.0926}, "repeats_hs": {"runs": 3, "values": [0.3102, 0.3107, 0.489], "mean": 0.37, "spread": 0.1788}, "at": 1789901611}, "tier": 1, "alerts": [], "total_sd": 0.585, "total_ci95": [43.085, 45.181], "relegate_reason": [], "submitted_at": 1789687033, "scored_at": 1789901611, "rank": 2649}, {"candidate_id": "ODC-49B855", "res_at": 1787261314, "skeleton": "NWLLNYCTNNNOQE", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 44.123, "axes": {"activity": 21.04, "binding": 8.71, "selectivity": 3.73, "admet": 3.03, "novelty": 4.65, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.862, "fraction": 0.701}, "binding": {"pIC50": 6.6, "LE": 0.244, "potency_term": 0.534, "efficiency_cap": 0.815}, "selectivity": {"fold": 5.0, "selectivity_term": 0.349, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.862142901047975, "aff_pf": -0.6032429734865824, "aff_hs": 0.09453405439853668, "repeats_pf": {"runs": 3, "values": [-0.6732, -0.5598, -0.5767], "mean": -0.6032, "spread": 0.1135}, "repeats_hs": {"runs": 3, "values": [0.1426, 0.0549, 0.0861], "mean": 0.0945, "spread": 0.0877}, "at": 1787261314}, "tier": 1, "relegate_reason": [], "submitted_at": 1787260045, "scored_at": 1787261314, "alerts": [], "rank": 2650}, {"candidate_id": "ODC-633529", "res_at": 1786776518, "skeleton": "RGLMKXFLFWNATM", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 44.12, "axes": {"activity": 9.28, "binding": 14.68, "selectivity": 8.85, "admet": 4.34, "novelty": 3.9, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.157, "fraction": 0.309}, "binding": {"pIC50": 7.2, "LE": 0.411, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.1, "selectivity_term": 0.603, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.3, "herg": 0.546, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.156938165376665, "aff_pf": -1.2020981311798096, "aff_hs": 0.003398403525352478, "at": 1786776518}, "tier": 1, "relegate_reason": [], "submitted_at": 1786776373, "scored_at": 1786776518, "alerts": [], "rank": 2651}, {"candidate_id": "ODC-AA7D69", "res_at": 1787136429, "skeleton": "CGAQYQVBMOJYEO", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.118, "axes": {"activity": 16.04, "binding": 13.33, "selectivity": 3.84, "admet": 5.01, "novelty": 2.84, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.562, "fraction": 0.535}, "binding": {"pIC50": 7.0, "LE": 0.4, "potency_term": 0.667, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.594, "herg": 0.467, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.562102168077021, "aff_pf": -0.9998520612716675, "aff_hs": -0.4239870309829712, "repeats_pf": {"runs": 3, "values": [-1.0337, -1.0015, -0.9644], "mean": -0.9999, "spread": 0.0694}, "repeats_hs": {"runs": 3, "values": [-0.3048, -0.5757, -0.3915], "mean": -0.424, "spread": 0.2709}, "at": 1787136429}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135436, "scored_at": 1787136429, "alerts": [], "rank": 2652}, {"candidate_id": "ODC-CBF4F3", "res_at": 1786770916, "skeleton": "WPTZNGSCGRVUEW", "hf_user": "ProPerNounpYK", "display_name": "ss", "model_name": "Claude 5 Fable", "mw_band": "400-450", "visibility": "public", "smiles": "CCc1cc(Nc2ccc(Br)c(F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 44.11, "axes": {"activity": 15.33, "binding": 13.09, "selectivity": 5.12, "admet": 4.74, "novelty": 2.9, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.52, "fraction": 0.511}, "binding": {"pIC50": 6.96, "LE": 0.397, "potency_term": 0.654, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.391, "target_engagement": 0.654}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.258, "cyp3a4-substrate-carbonmangels": 0.479, "ld50-zhu": 0.337, "herg": 0.347, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.519638490362048, "aff_pf": -0.9634190797805786, "aff_hs": -0.1816379427909851, "at": 1786770916}, "tier": 1, "relegate_reason": [], "submitted_at": 1786770421, "scored_at": 1786770916, "alerts": [], "rank": 2653}, {"candidate_id": "ODC-607F45", "res_at": 1789083904, "skeleton": "HJEGJEPPQPTZDS", "hf_user": "trblnfxn", "display_name": "NC-ANIL-05_3F4SF5", "model_name": "Hermes-AnilineScan-v4", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.1, "axes": {"activity": 11.36, "binding": 15.37, "selectivity": 4.63, "admet": 6.18, "novelty": 3.84, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.282, "fraction": 0.379}, "binding": {"pIC50": 7.31, "LE": 0.4, "potency_term": 0.768, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.768}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.981, "ld50-zhu": 0.829, "herg": 0.499, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "0", "pAct_q10": 5.281511246469755, "aff_pf": -1.3050915400187175, "aff_hs": -0.7026723623275757, "repeats_pf": {"runs": 3, "values": [-1.3349, -1.2327, -1.3477], "mean": -1.3051, "spread": 0.115}, "repeats_hs": {"runs": 3, "values": [-0.722, -0.7049, -0.6811], "mean": -0.7027, "spread": 0.041}, "at": 1789083904}, "tier": 1, "alerts": [], "total_sd": 0.704, "total_ci95": [42.533, 45.051], "relegate_reason": [], "submitted_at": 1789053698, "scored_at": 1789083904, "rank": 2654}, {"candidate_id": "ODC-6FD535", "res_at": 1788304279, "skeleton": "UFJQNBYHWLHEPH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 44.094, "axes": {"activity": 19.72, "binding": 11.5, "selectivity": 2.57, "admet": 3.18, "novelty": 4.02, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.783, "fraction": 0.657}, "binding": {"pIC50": 7.12, "LE": 0.244, "potency_term": 0.707, "efficiency_cap": 0.813}, "selectivity": {"fold": 2.3, "selectivity_term": 0.181, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 0.846, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.914, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.284}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.7832161934182045, "aff_pf": -1.1221161286036174, "aff_hs": -0.7594005266825358, "repeats_pf": {"runs": 3, "values": [-1.1866, -0.9843, -1.1955], "mean": -1.1221, "spread": 0.2112}, "repeats_hs": {"runs": 3, "values": [-0.9815, -1.0003, -0.2963], "mean": -0.7594, "spread": 0.704}, "at": 1788304279}, "tier": 1, "alerts": [], "total_sd": 1.577, "total_ci95": [41.43, 47.37], "relegate_reason": [], "submitted_at": 1788275433, "scored_at": 1788304279, "rank": 2655}, {"candidate_id": "ODC-677C7B", "res_at": 1788968390, "skeleton": "JXLQDAPSZYOIER", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 44.084, "axes": {"activity": 11.1, "binding": 15.32, "selectivity": 5.35, "admet": 4.96, "novelty": 3.63, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 5.266, "fraction": 0.37}, "binding": {"pIC50": 7.3, "LE": 0.4, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.349, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 5.266213841279418, "aff_pf": -1.2973010540008545, "aff_hs": -0.5989089409510294, "repeats_pf": {"runs": 3, "values": [-1.4561, -1.2326, -1.2032], "mean": -1.2973, "spread": 0.2529}, "repeats_hs": {"runs": 3, "values": [-0.7464, -0.4391, -0.6112], "mean": -0.5989, "spread": 0.3073}, "at": 1788968390}, "tier": 1, "alerts": [], "total_sd": 1.631, "total_ci95": [41.496, 47.664], "relegate_reason": [], "submitted_at": 1788964113, "scored_at": 1788968390, "rank": 2656}, {"candidate_id": "ODC-7F1C00", "res_at": 1786846137, "skeleton": "WXWXOUSDDJKVMK", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Opus-5", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(Br)cc3)n2n1", "smiles_masked": null, "total": 44.071, "axes": {"activity": 14.3, "binding": 12.38, "selectivity": 7.55, "admet": 4.63, "novelty": 2.19, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.458, "fraction": 0.477}, "binding": {"pIC50": 6.86, "LE": 0.47, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.678, "ld50-zhu": 0.357, "herg": 0.52, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.646, "novelty": 0.354}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "1", "pAct_q10": 5.458245484014087, "aff_pf": -0.8566723863283793, "aff_hs": 0.3626171449820201, "repeats_pf": {"runs": 3, "values": [-0.8526, -0.8793, -0.8382], "mean": -0.8567, "spread": 0.0411}, "repeats_hs": {"runs": 3, "values": [0.3574, 0.3283, 0.4021], "mean": 0.3626, "spread": 0.0738}, "at": 1786846137}, "tier": 1, "relegate_reason": [], "submitted_at": 1786843962, "scored_at": 1786846137, "alerts": [], "rank": 2657}, {"candidate_id": "ODC-38DD02", "res_at": 1789346137, "skeleton": "RWTYXKBHHYKLNU", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 44.067, "axes": {"activity": 10.87, "binding": 15.72, "selectivity": 5.92, "admet": 4.06, "novelty": 4.42, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 7.36, "LE": 0.36, "potency_term": 0.786, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.579, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.367, "ld50-zhu": 0.908, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.251951504966934, "aff_pf": -1.3572516838709514, "aff_hs": -0.6042335430781046, "repeats_pf": {"runs": 3, "values": [-1.4053, -1.3199, -1.3465], "mean": -1.3573, "spread": 0.0853}, "repeats_hs": {"runs": 3, "values": [-0.5927, -0.5285, -0.6915], "mean": -0.6042, "spread": 0.163}, "at": 1789346137}, "tier": 1, "alerts": [], "total_sd": 0.493, "total_ci95": [43.189, 45.126], "relegate_reason": [], "submitted_at": 1789345776, "scored_at": 1789346137, "rank": 2658}, {"candidate_id": "ODC-366A0E", "res_at": 1788994379, "skeleton": "SBVVYLKUXAYKEX", "hf_user": "Bio-JS", "display_name": "0910-S1-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 44.058, "axes": {"activity": 10.81, "binding": 12.87, "selectivity": 9.46, "admet": 4.79, "novelty": 3.42, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.36}, "binding": {"pIC50": 6.93, "LE": 0.396, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.6, "selectivity_term": 0.735, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.097, "ld50-zhu": 0.417, "herg": 0.849, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.248538419063022, "aff_pf": -0.9297747413317362, "aff_hs": 0.5411202510197958, "repeats_pf": {"runs": 3, "values": [-0.826, -1.0199, -0.9434], "mean": -0.9298, "spread": 0.1939}, "repeats_hs": {"runs": 3, "values": [0.558, 0.563, 0.5024], "mean": 0.5411, "spread": 0.0605}, "at": 1788994379}, "tier": 1, "alerts": [], "total_sd": 1.086, "total_ci95": [41.649, 46.218], "relegate_reason": [], "submitted_at": 1788993285, "scored_at": 1788994379, "rank": 2659}, {"candidate_id": "ODC-D60969", "res_at": 1789264345, "skeleton": "MLBDUXLLRFADIP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 44.057, "axes": {"activity": 10.3, "binding": 13.87, "selectivity": 7.89, "admet": 4.99, "novelty": 3.84, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.218, "fraction": 0.343}, "binding": {"pIC50": 7.08, "LE": 0.388, "potency_term": 0.693, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.455, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.21815594813773, "aff_pf": -1.080087701479594, "aff_hs": 0.05752534233033657, "repeats_pf": {"runs": 3, "values": [-1.049, -1.1626, -1.0286], "mean": -1.0801, "spread": 0.134}, "repeats_hs": {"runs": 3, "values": [0.0175, 0.0324, 0.1227], "mean": 0.0575, "spread": 0.1052}, "at": 1789264345}, "tier": 1, "alerts": [], "total_sd": 0.837, "total_ci95": [42.907, 45.991], "relegate_reason": [], "submitted_at": 1789262887, "scored_at": 1789264345, "rank": 2660}, {"candidate_id": "ODC-32D742", "res_at": 1786934667, "skeleton": "ZAOJGVBWQQMCRX", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 44.049, "axes": {"activity": 17.17, "binding": 11.78, "selectivity": 6.01, "admet": 3.88, "novelty": 2.61, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.63, "fraction": 0.572}, "binding": {"pIC50": 6.77, "LE": 0.343, "potency_term": 0.589, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.51, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.463, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.419, "herg": 0.09, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.630497951510764, "aff_pf": -0.7673773368199667, "aff_hs": 0.2525467947125435, "repeats_pf": {"runs": 3, "values": [-0.665, -0.8635, -0.7736], "mean": -0.7674, "spread": 0.1985}, "repeats_hs": {"runs": 3, "values": [0.4283, 0.2332, 0.0961], "mean": 0.2525, "spread": 0.3323}, "at": 1786934667}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926493, "scored_at": 1786934667, "alerts": [], "rank": 2661}, {"candidate_id": "ODC-207B46", "res_at": 1788233929, "skeleton": "MAMDXCUJMDMHJF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 44.027, "axes": {"activity": 12.8, "binding": 12.71, "selectivity": 7.59, "admet": 4.05, "novelty": 4.51, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 6.91, "LE": 0.338, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.463, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.59, "herg": 0.222, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.368059966851563, "aff_pf": -0.9057904481887817, "aff_hs": 0.2883654832839966, "repeats_pf": {"runs": 3, "values": [-0.8725, -0.9613, -0.8835], "mean": -0.9058, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [0.2815, 0.3319, 0.2516], "mean": 0.2884, "spread": 0.0803}, "at": 1788233929}, "tier": 1, "alerts": [], "total_sd": 0.544, "total_ci95": [43.209, 45.364], "relegate_reason": [], "submitted_at": 1788190909, "scored_at": 1788233929, "rank": 2662}, {"candidate_id": "ODC-A5E375", "res_at": 1788222597, "skeleton": "BBPYGTPBVXAWSR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 44.003, "axes": {"activity": 10.53, "binding": 13.89, "selectivity": 9.46, "admet": 5.88, "novelty": 1.39, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.232, "fraction": 0.351}, "binding": {"pIC50": 7.08, "LE": 0.388, "potency_term": 0.694, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.694}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.857, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.496, "herg": 0.686, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.8, "novelty": 0.2}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.231644855903196, "aff_pf": -1.0830371379852295, "aff_hs": 0.2789694517850876, "repeats_pf": {"runs": 3, "values": [-1.1128, -1.0809, -1.0555], "mean": -1.083, "spread": 0.0573}, "repeats_hs": {"runs": 3, "values": [0.2347, 0.2745, 0.3278], "mean": 0.279, "spread": 0.0931}, "at": 1788222597}, "tier": 1, "alerts": [], "total_sd": 0.367, "total_ci95": [43.261, 44.691], "relegate_reason": [], "submitted_at": 1788165273, "scored_at": 1788222597, "rank": 2663}, {"candidate_id": "ODC-218B51", "res_at": 1786887657, "skeleton": "UWIMDRRZRBPERB", "hf_user": "Binggu8", "display_name": "Binggu", "model_name": "codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.99, "axes": {"activity": 14.61, "binding": 11.54, "selectivity": 8.32, "admet": 3.8, "novelty": 3.38, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 6.73, "LE": 0.401, "potency_term": 0.577, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.7, "selectivity_term": 0.722, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.54, "herg": 0.532, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.476634585421025, "aff_pf": -0.7305753429730734, "aff_hs": 0.7125118374824524, "repeats_pf": {"runs": 3, "values": [-0.7121, -0.7711, -0.7085], "mean": -0.7306, "spread": 0.0625}, "repeats_hs": {"runs": 3, "values": [0.6967, 0.7268, 0.714], "mean": 0.7125, "spread": 0.0301}, "at": 1786887657}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875282, "scored_at": 1786887657, "alerts": [], "rank": 2664}, {"candidate_id": "ODC-1835BE", "res_at": 1789883504, "skeleton": "SGUOGTZEQFKZGQ", "hf_user": "Ku-ku", "display_name": "KK-M-0917-073", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 43.962, "axes": {"activity": 12.1, "binding": 11.22, "selectivity": 8.62, "admet": 6.33, "novelty": 3.8, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 6.68, "LE": 0.398, "potency_term": 0.561, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.4, "selectivity_term": 0.768, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.753, "per_endpoint": {"solubility-aqsoldb": 0.768, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.776, "cyp3a4-substrate-carbonmangels": 0.923, "ld50-zhu": 0.432, "herg": 0.634, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "0", "pAct_q10": 5.326072809601228, "aff_pf": -0.6830165584882101, "aff_hs": 0.853021482626597, "repeats_pf": {"runs": 3, "values": [-0.7111, -0.7394, -0.5985], "mean": -0.683, "spread": 0.141}, "repeats_hs": {"runs": 3, "values": [0.8102, 0.8394, 0.9095], "mean": 0.853, "spread": 0.0993}, "at": 1789883504}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.832, "total_ci95": [41.964, 45.178], "relegate_reason": [], "submitted_at": 1789633493, "scored_at": 1789883504, "rank": 2665}, {"candidate_id": "ODC-DFBA93", "res_at": 1789899440, "skeleton": "SOIDOXTUKHVFLS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.959, "axes": {"activity": 14.93, "binding": 14.55, "selectivity": 2.75, "admet": 4.82, "novelty": 3.88, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 7.18, "LE": 0.378, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.638, "ld50-zhu": 0.735, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.495613932318465, "aff_pf": -1.1819120645523071, "aff_hs": -0.8039807279904684, "repeats_pf": {"runs": 3, "values": [-1.1843, -1.1412, -1.2203], "mean": -1.1819, "spread": 0.0791}, "repeats_hs": {"runs": 3, "values": [-0.8021, -0.7674, -0.8425], "mean": -0.804, "spread": 0.0752}, "at": 1789899440}, "tier": 1, "alerts": [], "total_sd": 0.378, "total_ci95": [43.239, 44.689], "relegate_reason": [], "submitted_at": 1789758162, "scored_at": 1789899440, "rank": 2666}, {"candidate_id": "ODC-DCE26A", "res_at": 1786859811, "skeleton": "QBEDPHFNYKSVRH", "hf_user": "ALEX32321", "display_name": "ALEXAI-DOM-D2-CoreCl-PhFOMeF", "model_name": "OpenCrab-ALEXAI dominance-first v1.5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(F··········)cc1F", "total": 43.951, "axes": {"activity": 11.44, "binding": 14.34, "selectivity": 5.36, "admet": 6.05, "novelty": 3.52, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.381}, "binding": {"pIC50": 7.15, "LE": 0.426, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.901, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.682, "ld50-zhu": 0.447, "herg": 0.674, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.286540308109534, "aff_pf": -1.1515852212905884, "aff_hs": -0.4048411051432292, "repeats_pf": {"runs": 3, "values": [-1.185, -1.1721, -1.0977], "mean": -1.1516, "spread": 0.0873}, "repeats_hs": {"runs": 3, "values": [-0.4324, -0.3877, -0.3943], "mean": -0.4048, "spread": 0.0447}, "at": 1786859811}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852078, "scored_at": 1786859811, "alerts": [], "rank": 2667}, {"candidate_id": "ODC-328721", "res_at": 1788515537, "skeleton": "OHIOEOVAOZEZMH", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SO2Me/Me/p-MeCF2", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.944, "axes": {"activity": 11.78, "binding": 12.18, "selectivity": 10.47, "admet": 4.94, "novelty": 1.76, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 6.83, "LE": 0.374, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.4, "selectivity_term": 0.86, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.694, "cyp3a4-substrate-carbonmangels": 0.173, "ld50-zhu": 0.368, "herg": 0.763, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.712, "novelty": 0.288}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.306991803272928, "aff_pf": -0.8264818986256918, "aff_hs": 0.8932003577550253, "repeats_pf": {"runs": 3, "values": [-0.8238, -0.8041, -0.8515], "mean": -0.8265, "spread": 0.0474}, "repeats_hs": {"runs": 3, "values": [0.9102, 0.895, 0.8744], "mean": 0.8932, "spread": 0.0358}, "at": 1788515537}, "tier": 1, "alerts": [], "total_sd": 0.269, "total_ci95": [43.457, 44.424], "relegate_reason": [], "submitted_at": 1788487597, "scored_at": 1788515537, "rank": 2668}, {"candidate_id": "ODC-2AE096", "res_at": 1789879653, "skeleton": "OUDNKOZMYLKILL", "hf_user": "Bio-JS", "display_name": "0917-S1-div30", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 43.942, "axes": {"activity": 12.3, "binding": 13.39, "selectivity": 7.21, "admet": 3.83, "novelty": 4.49, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 7.01, "LE": 0.356, "potency_term": 0.67, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.538, "target_engagement": 0.67}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.575, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.338070461908764, "aff_pf": -1.0088955958684285, "aff_hs": 0.06718394160270691, "repeats_pf": {"runs": 3, "values": [-1.0827, -1.0899, -0.8541], "mean": -1.0089, "spread": 0.2359}, "repeats_hs": {"runs": 3, "values": [0.0546, 0.1242, 0.0227], "mean": 0.0672, "spread": 0.1015}, "at": 1789879653}, "tier": 1, "alerts": [], "total_sd": 1.378, "total_ci95": [40.69, 46.017], "relegate_reason": [], "submitted_at": 1789628675, "scored_at": 1789879653, "rank": 2669}, {"candidate_id": "ODC-8AAF33", "res_at": 1789264838, "skeleton": "BGNDVCMHHITLJD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.909, "axes": {"activity": 16.4, "binding": 12.75, "selectivity": 4.3, "admet": 3.91, "novelty": 3.49, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.584, "fraction": 0.547}, "binding": {"pIC50": 6.91, "LE": 0.379, "potency_term": 0.638, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.337, "target_engagement": 0.638}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.528, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.58401500294432, "aff_pf": -0.9126312136650085, "aff_hs": -0.2380371168255806, "repeats_pf": {"runs": 3, "values": [-0.9882, -0.8371, -0.9126], "mean": -0.9126, "spread": 0.1511}, "repeats_hs": {"runs": 3, "values": [-0.1081, -0.1107, -0.4952], "mean": -0.238, "spread": 0.3871}, "at": 1789264838}, "tier": 1, "alerts": [], "total_sd": 0.938, "total_ci95": [41.771, 45.808], "relegate_reason": [], "submitted_at": 1789262969, "scored_at": 1789264838, "rank": 2670}, {"candidate_id": "ODC-248103", "res_at": 1787401716, "skeleton": "HYNZUNYMJDEUCB", "hf_user": "Ku-ku", "display_name": "W6_SCHF2_to_OCHF2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.906, "axes": {"activity": 9.71, "binding": 14.12, "selectivity": 9.1, "admet": 5.19, "novelty": 2.54, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.182, "fraction": 0.324}, "binding": {"pIC50": 7.12, "LE": 0.443, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.5, "selectivity_term": 0.645, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.603, "cyp3a4-substrate-carbonmangels": 0.098, "ld50-zhu": 0.51, "herg": 0.531, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.64, "novelty": 0.36}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.1823425821205715, "aff_pf": -1.1183486382166545, "aff_hs": 0.17105680207411447, "repeats_pf": {"runs": 3, "values": [-1.1405, -1.127, -1.0875], "mean": -1.1183, "spread": 0.0531}, "repeats_hs": {"runs": 3, "values": [0.2616, 0.1207, 0.1309], "mean": 0.1711, "spread": 0.1409}, "at": 1787401716}, "tier": 1, "relegate_reason": [], "submitted_at": 1787400910, "scored_at": 1787401716, "alerts": [], "rank": 2671}, {"candidate_id": "ODC-6A7610", "res_at": 1786861425, "skeleton": "URLKDYXUYIGZSC", "hf_user": "ALEX32321", "display_name": "ALEXAI-DOM-A6-CoreCl-PhFClCN", "model_name": "OpenCrab-ALEXAI dominance-first v1.5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.888, "axes": {"activity": 11.67, "binding": 13.72, "selectivity": 6.66, "admet": 5.37, "novelty": 3.6, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 7.06, "LE": 0.42, "potency_term": 0.686, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.686}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.577, "ld50-zhu": 0.44, "herg": 0.861, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.300041776988727, "aff_pf": -1.0579002698262532, "aff_hs": -0.08687104533116023, "repeats_pf": {"runs": 3, "values": [-1.0134, -1.0904, -1.0699], "mean": -1.0579, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [-0.037, -0.1775, -0.0461], "mean": -0.0869, "spread": 0.1405}, "at": 1786861425}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852047, "scored_at": 1786861425, "alerts": [], "rank": 2672}, {"candidate_id": "ODC-42060C", "res_at": 1788068658, "skeleton": "VDMYNFQSAQAZSN", "hf_user": "Bio-JS", "display_name": "27 A6 x 팔2 피리딜", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 43.885, "axes": {"activity": 22.23, "binding": 7.54, "selectivity": 2.6, "admet": 3.33, "novelty": 5.27, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.934, "fraction": 0.741}, "binding": {"pIC50": 6.39, "LE": 0.243, "potency_term": 0.465, "efficiency_cap": 0.811}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.465}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.515, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.933530264540162, "aff_pf": -0.3935949206352234, "aff_hs": 0.16612120966116586, "repeats_pf": {"runs": 3, "values": [-0.4603, -0.4316, -0.2889], "mean": -0.3936, "spread": 0.1715}, "repeats_hs": {"runs": 3, "values": [0.2206, 0.0976, 0.1802], "mean": 0.1661, "spread": 0.123}, "at": 1788068658}, "tier": 1, "alerts": [], "total_sd": 0.536, "total_ci95": [42.794, 44.846], "relegate_reason": [], "submitted_at": 1788017541, "scored_at": 1788068658, "rank": 2673}, {"candidate_id": "ODC-A5C2A8", "res_at": 1786836089, "skeleton": "OMRXTIKUAJTUHL", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.882, "axes": {"activity": 13.01, "binding": 13.87, "selectivity": 4.22, "admet": 5.75, "novelty": 3.75, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 7.08, "LE": 0.422, "potency_term": 0.694, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.694}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.953, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.587, "cyp3a4-substrate-carbonmangels": 0.212, "ld50-zhu": 0.684, "herg": 0.589, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "2", "pAct_q10": 5.380680091554712, "aff_pf": -1.0807575384775798, "aff_hs": -0.4723357359568278, "repeats_pf": {"runs": 3, "values": [-1.0909, -1.0731, -1.0782], "mean": -1.0808, "spread": 0.0178}, "repeats_hs": {"runs": 3, "values": [-0.492, -0.4452, -0.4797], "mean": -0.4723, "spread": 0.0468}, "at": 1786836089}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804208, "scored_at": 1786836089, "alerts": [], "rank": 2674}, {"candidate_id": "ODC-3790A4", "res_at": 1786899400, "skeleton": "TUTGEXDDXRKRNN", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-007 70-point QC gate", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.871, "axes": {"activity": 13.42, "binding": 14.44, "selectivity": 3.87, "admet": 4.82, "novelty": 4.31, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.17, "LE": 0.393, "potency_term": 0.722, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.843, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.657, "herg": 0.174, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.4053755784083855, "aff_pf": -1.16560959815979, "aff_hs": -0.6301631927490234, "repeats_pf": {"runs": 3, "values": [-1.081, -1.1912, -1.2246], "mean": -1.1656, "spread": 0.1436}, "repeats_hs": {"runs": 3, "values": [-0.6561, -0.5832, -0.6512], "mean": -0.6302, "spread": 0.073}, "at": 1786899400}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886642, "scored_at": 1786899400, "alerts": [], "rank": 2675}, {"candidate_id": "ODC-42E87B", "res_at": 1788513179, "skeleton": "RKZNYZLZJBEGKW", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Me/p-OCF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.869, "axes": {"activity": 14.9, "binding": 12.49, "selectivity": 6.82, "admet": 4.55, "novelty": 2.0, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 6.87, "LE": 0.392, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.546, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.483, "ld50-zhu": 0.485, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.68, "novelty": 0.32}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.494279222962955, "aff_pf": -0.8734514315923055, "aff_hs": 0.21902954578399658, "repeats_pf": {"runs": 3, "values": [-0.9007, -0.8645, -0.8551], "mean": -0.8735, "spread": 0.0456}, "repeats_hs": {"runs": 3, "values": [0.2714, 0.1453, 0.2404], "mean": 0.219, "spread": 0.1261}, "at": 1788513179}, "tier": 1, "alerts": [], "total_sd": 0.298, "total_ci95": [43.347, 44.464], "relegate_reason": [], "submitted_at": 1788487275, "scored_at": 1788513179, "rank": 2676}, {"candidate_id": "ODC-432247", "res_at": 1786858476, "skeleton": "RTZYVDADTGSFMZ", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.868, "axes": {"activity": 12.63, "binding": 12.93, "selectivity": 8.67, "admet": 4.38, "novelty": 2.11, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 6.94, "LE": 0.38, "potency_term": 0.646, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.0, "selectivity_term": 0.671, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.502, "cyp3a4-substrate-carbonmangels": 0.526, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.357775355536493, "aff_pf": -0.9389110406239828, "aff_hs": 0.4028790394465129, "repeats_pf": {"runs": 3, "values": [-0.998, -0.8894, -0.9293], "mean": -0.9389, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [0.3526, 0.3788, 0.4773], "mean": 0.4029, "spread": 0.1247}, "at": 1786858476}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850254, "scored_at": 1786858476, "alerts": [], "rank": 2677}, {"candidate_id": "ODC-31140E", "res_at": 1786877297, "skeleton": "MKSVGEYETQPRKG", "hf_user": "sunglee", "display_name": "semantic-os rank1-hypo I-F-cf3", "model_name": "glm-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.853, "axes": {"activity": 13.13, "binding": 12.09, "selectivity": 9.37, "admet": 4.74, "novelty": 1.73, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 6.81, "LE": 0.406, "potency_term": 0.605, "efficiency_cap": 1.0}, "selectivity": {"fold": 35.5, "selectivity_term": 0.775, "target_engagement": 0.605}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.491, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.486, "herg": 0.492, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.714, "novelty": 0.286}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.387968131157575, "aff_pf": -0.8140352567036947, "aff_hs": 0.7357098062833151, "repeats_pf": {"runs": 3, "values": [-0.7486, -0.8433, -0.8503], "mean": -0.814, "spread": 0.1017}, "repeats_hs": {"runs": 3, "values": [0.7994, 0.6523, 0.7554], "mean": 0.7357, "spread": 0.1471}, "at": 1786877297}, "tier": 1, "relegate_reason": [], "submitted_at": 1786870945, "scored_at": 1786877297, "alerts": [], "rank": 2678}, {"candidate_id": "ODC-9A03F1", "res_at": 1788572052, "skeleton": "SJMIFBCUMTWOEF", "hf_user": "1Dmeds", "display_name": "ODC26-S1D09", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 43.847, "axes": {"activity": 13.17, "binding": 13.11, "selectivity": 6.7, "admet": 3.75, "novelty": 4.54, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 7.07, "LE": 0.285, "potency_term": 0.69, "efficiency_cap": 0.95}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.69}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.385, "cyp2c9-veith": 0.65, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.390339259606428, "aff_pf": -1.0710602204004924, "aff_hs": -0.1003859316309293, "repeats_pf": {"runs": 3, "values": [-1.1156, -1.0487, -1.0489], "mean": -1.0711, "spread": 0.0668}, "repeats_hs": {"runs": 3, "values": [-0.0242, -0.2674, -0.0096], "mean": -0.1004, "spread": 0.2577}, "at": 1788572052}, "tier": 1, "alerts": [], "total_sd": 0.631, "total_ci95": [42.703, 45.008], "relegate_reason": [], "submitted_at": 1788555411, "scored_at": 1788572052, "rank": 2679}, {"candidate_id": "ODC-9318FF", "res_at": 1789008434, "skeleton": "TZNVMZNMWUASRM", "hf_user": "Bio-JS", "display_name": "0910c-S1-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.847, "axes": {"activity": 9.86, "binding": 13.08, "selectivity": 9.98, "admet": 4.89, "novelty": 2.96, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.192, "fraction": 0.329}, "binding": {"pIC50": 6.96, "LE": 0.415, "potency_term": 0.654, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.654}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.88, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.648, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.191794706789133, "aff_pf": -0.9618390599886576, "aff_hs": 0.5643195708592733, "repeats_pf": {"runs": 3, "values": [-0.9488, -1.0044, -0.9324], "mean": -0.9618, "spread": 0.072}, "repeats_hs": {"runs": 3, "values": [0.6224, 0.5048, 0.5657], "mean": 0.5643, "spread": 0.1176}, "at": 1789008434}, "tier": 1, "alerts": [], "total_sd": 0.474, "total_ci95": [43.024, 44.995], "relegate_reason": [], "submitted_at": 1789006210, "scored_at": 1789008434, "rank": 2680}, {"candidate_id": "ODC-292293", "res_at": 1787871625, "skeleton": "IATKXVCSZNGPEU", "hf_user": "Bio-JS", "display_name": "N-알킬: 1-메틸-3-(플루오로메틸)아제티딘-3-일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 43.846, "axes": {"activity": 18.97, "binding": 8.12, "selectivity": 6.7, "admet": 3.19, "novelty": 4.32, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.738, "fraction": 0.632}, "binding": {"pIC50": 6.55, "LE": 0.236, "potency_term": 0.516, "efficiency_cap": 0.787}, "selectivity": {"fold": 19.9, "selectivity_term": 0.649, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.258, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.782, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.738258582037756, "aff_pf": -0.5481766959031423, "aff_hs": 0.7497525215148926, "repeats_pf": {"runs": 3, "values": [-0.5116, -0.4991, -0.6339], "mean": -0.5482, "spread": 0.1348}, "repeats_hs": {"runs": 3, "values": [0.7313, 0.7165, 0.8015], "mean": 0.7498, "spread": 0.085}, "at": 1787865699}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813139, "scored_at": 1787865699, "alerts": [], "rank": 2681}, {"candidate_id": "ODC-3B0FFA", "res_at": 1786975879, "skeleton": "BDGLXCXATZYNHI", "hf_user": "takutoyo", "display_name": "PfD3-01", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.841, "axes": {"activity": 14.98, "binding": 13.29, "selectivity": 6.25, "admet": 3.84, "novelty": 2.34, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.499}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.663, "cyp2c9-veith": 0.333, "cyp3a4-substrate-carbonmangels": 0.159, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.498878568431649, "aff_pf": -0.9931825399398804, "aff_hs": -0.05297790467739105, "repeats_pf": {"runs": 3, "values": [-0.9233, -1.0449, -1.0113], "mean": -0.9932, "spread": 0.1216}, "repeats_hs": {"runs": 3, "values": [-0.0415, -0.0397, -0.0777], "mean": -0.053, "spread": 0.038}, "at": 1786975879}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975536, "scored_at": 1786975879, "alerts": [], "rank": 2682}, {"candidate_id": "ODC-F07961", "res_at": 1789925214, "skeleton": "PGURKKLYLGDWNZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.815, "axes": {"activity": 15.0, "binding": 12.78, "selectivity": 6.95, "admet": 2.9, "novelty": 3.35, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 6.92, "LE": 0.364, "potency_term": 0.639, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.639}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.336, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.499963816121104, "aff_pf": -0.917394200960795, "aff_hs": 0.1693029503027598, "repeats_pf": {"runs": 3, "values": [-0.8901, -0.9613, -0.9008], "mean": -0.9174, "spread": 0.0711}, "repeats_hs": {"runs": 3, "values": [0.3594, -0.0255, 0.1741], "mean": 0.1693, "spread": 0.3849}, "at": 1789925214}, "tier": 1, "alerts": [], "total_sd": 0.701, "total_ci95": [42.499, 45.156], "relegate_reason": [], "submitted_at": 1789918828, "scored_at": 1789925214, "rank": 2683}, {"candidate_id": "ODC-44D960", "res_at": 1787871919, "skeleton": "DPDBKIUBDUTKQS", "hf_user": "Bio-JS", "display_name": "설폭사이드팔 x 사이아노 (음의 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 43.784, "axes": {"activity": 19.34, "binding": 8.02, "selectivity": 7.13, "admet": 2.38, "novelty": 4.43, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.76, "fraction": 0.645}, "binding": {"pIC50": 6.57, "LE": 0.231, "potency_term": 0.522, "efficiency_cap": 0.769}, "selectivity": {"fold": 23.3, "selectivity_term": 0.684, "target_engagement": 0.522}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.345, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.760281550283386, "aff_pf": -0.5650660296281179, "aff_hs": 0.8022006352742513, "repeats_pf": {"runs": 3, "values": [-0.5288, -0.6772, -0.4892], "mean": -0.5651, "spread": 0.188}, "repeats_hs": {"runs": 3, "values": [0.7926, 0.7581, 0.8559], "mean": 0.8022, "spread": 0.0978}, "at": 1787871919}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813229, "scored_at": 1787871919, "alerts": [], "rank": 2684}, {"candidate_id": "ODC-2B9093", "res_at": 1786945310, "skeleton": "MAQHERJXDPIGQD", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)CS··········)n2n1", "total": 43.778, "axes": {"activity": 15.95, "binding": 13.6, "selectivity": 4.17, "admet": 3.33, "novelty": 3.87, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.557, "fraction": 0.532}, "binding": {"pIC50": 7.04, "LE": 0.357, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.94, "cyp2c9-veith": 0.088, "cyp3a4-substrate-carbonmangels": 0.783, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.556905489841016, "aff_pf": -1.0394952694574993, "aff_hs": -0.42647209763526917, "repeats_pf": {"runs": 3, "values": [-0.9779, -1.2096, -0.9309], "mean": -1.0395, "spread": 0.2786}, "repeats_hs": {"runs": 3, "values": [-0.4952, -0.3503, -0.4339], "mean": -0.4265, "spread": 0.1449}, "at": 1786945310}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934280, "scored_at": 1786945310, "alerts": [], "rank": 2685}, {"candidate_id": "ODC-3AE380", "res_at": 1786936872, "skeleton": "JTDKSVIOFXXKMO", "hf_user": "1Dmeds", "display_name": "ODC26-R2N-01", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.755, "axes": {"activity": 13.24, "binding": 14.52, "selectivity": 6.38, "admet": 4.82, "novelty": 2.04, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 7.18, "LE": 0.378, "potency_term": 0.726, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.839, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.635, "herg": 0.05, "dili": 0.473}}, "novelty": {"max_tanimoto": 0.719, "novelty": 0.281}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.394423250748799, "aff_pf": -1.1776543458302815, "aff_hs": -0.2982783218224843, "repeats_pf": {"runs": 3, "values": [-1.2269, -1.1543, -1.1517], "mean": -1.1777, "spread": 0.0752}, "repeats_hs": {"runs": 3, "values": [-0.3616, -0.4038, -0.1294], "mean": -0.2983, "spread": 0.2744}, "at": 1786936872}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930976, "scored_at": 1786936872, "alerts": [], "rank": 2686}, {"candidate_id": "ODC-332886", "res_at": 1789192045, "skeleton": "XERWIQCBQPAFDD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.721, "axes": {"activity": 13.46, "binding": 14.31, "selectivity": 6.17, "admet": 3.87, "novelty": 2.6, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.408, "fraction": 0.449}, "binding": {"pIC50": 7.15, "LE": 0.408, "potency_term": 0.716, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.493, "herg": 0.05, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.407640631893901, "aff_pf": -1.1471398274103801, "aff_hs": -0.284835288921992, "repeats_pf": {"runs": 3, "values": [-1.0963, -1.2122, -1.1329], "mean": -1.1471, "spread": 0.116}, "repeats_hs": {"runs": 3, "values": [-0.1943, -0.2791, -0.3811], "mean": -0.2848, "spread": 0.1867}, "at": 1789192045}, "tier": 1, "alerts": [], "total_sd": 0.627, "total_ci95": [42.649, 44.909], "relegate_reason": [], "submitted_at": 1789174989, "scored_at": 1789192045, "rank": 2687}, {"candidate_id": "ODC-000C50", "res_at": 1788133073, "skeleton": "FPOQJPZNFRQBPM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.71, "axes": {"activity": 19.29, "binding": 8.1, "selectivity": 5.41, "admet": 4.29, "novelty": 3.7, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.757, "fraction": 0.643}, "binding": {"pIC50": 6.24, "LE": 0.295, "potency_term": 0.412, "efficiency_cap": 0.982}, "selectivity": {"fold": 20.5, "selectivity_term": 0.656, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.715, "ld50-zhu": 0.583, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.757205279746672, "aff_pf": -0.23691569765408835, "aff_hs": 1.0753666361172993, "repeats_pf": {"runs": 3, "values": [-0.3421, -0.2405, -0.1281], "mean": -0.2369, "spread": 0.214}, "repeats_hs": {"runs": 3, "values": [1.1149, 0.96, 1.1511], "mean": 1.0754, "spread": 0.1911}, "at": 1788133073}, "tier": 1, "alerts": [], "total_sd": 0.863, "total_ci95": [41.983, 45.477], "relegate_reason": [], "submitted_at": 1788132326, "scored_at": 1788133073, "rank": 2688}, {"candidate_id": "ODC-76B063", "res_at": 1789004611, "skeleton": "NNVRWGKMPWHAHC", "hf_user": "Bio-JS", "display_name": "0910b-S1-08", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.691, "axes": {"activity": 7.31, "binding": 13.24, "selectivity": 13.05, "admet": 5.19, "novelty": 1.82, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.039, "fraction": 0.244}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.662, "efficiency_cap": 1.0}, "selectivity": {"fold": 93.6, "selectivity_term": 0.986, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.546, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.283, "herg": 0.686, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.725, "novelty": 0.275}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.038671823603043, "aff_pf": -0.9861640731493632, "aff_hs": 0.9849697152773539, "repeats_pf": {"runs": 3, "values": [-0.9933, -0.9737, -0.9915], "mean": -0.9862, "spread": 0.0196}, "repeats_hs": {"runs": 3, "values": [0.9852, 1.0393, 0.9304], "mean": 0.985, "spread": 0.1089}, "at": 1789004611}, "tier": 1, "alerts": [], "total_sd": 0.196, "total_ci95": [43.289, 43.992], "relegate_reason": [], "submitted_at": 1789001571, "scored_at": 1789004611, "rank": 2689}, {"candidate_id": "ODC-07001B", "res_at": 1786905059, "skeleton": "FMSQYBOSCMDMEI", "hf_user": "1Dmeds", "display_name": "ODC26-R5A-C6H-CF3F", "model_name": "ODC-2026-R5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.689, "axes": {"activity": 16.46, "binding": 12.33, "selectivity": 4.88, "admet": 5.07, "novelty": 1.97, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.549}, "binding": {"pIC50": 6.85, "LE": 0.391, "potency_term": 0.617, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.396, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.643, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.564, "herg": 0.436, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.68, "novelty": 0.32}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "2", "pAct_q10": 5.587412638337071, "aff_pf": -0.8502046664555868, "aff_hs": -0.058187546829382576, "repeats_pf": {"runs": 3, "values": [-0.8562, -0.8113, -0.8831], "mean": -0.8502, "spread": 0.0718}, "repeats_hs": {"runs": 3, "values": [-0.0087, -0.186, 0.0201], "mean": -0.0582, "spread": 0.206}, "at": 1786905059}, "tier": 1, "relegate_reason": [], "submitted_at": 1786902271, "scored_at": 1786905059, "alerts": [], "rank": 2690}, {"candidate_id": "ODC-AF95ED", "res_at": 1787401303, "skeleton": "YOSVIOQASOHZHM", "hf_user": "Ku-ku", "display_name": "W4_core_ringCN", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········c1C#N", "total": 43.677, "axes": {"activity": 18.93, "binding": 9.4, "selectivity": 4.73, "admet": 3.73, "novelty": 4.14, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.736, "fraction": 0.631}, "binding": {"pIC50": 6.41, "LE": 0.366, "potency_term": 0.47, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.503, "target_engagement": 0.47}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.219, "ld50-zhu": 0.354, "herg": 0.763, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.735628034606281, "aff_pf": -0.41051749388376874, "aff_hs": 0.5950323144594828, "repeats_pf": {"runs": 3, "values": [-0.4162, -0.3843, -0.431], "mean": -0.4105, "spread": 0.0468}, "repeats_hs": {"runs": 3, "values": [0.61, 0.5837, 0.5914], "mean": 0.595, "spread": 0.0263}, "at": 1787401303}, "tier": 1, "relegate_reason": [], "submitted_at": 1787400903, "scored_at": 1787401303, "alerts": [], "rank": 2691}, {"candidate_id": "ODC-DB828C", "res_at": 1788590374, "skeleton": "OTLPACIBJMSIJV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.667, "axes": {"activity": 16.92, "binding": 11.48, "selectivity": 6.14, "admet": 2.98, "novelty": 3.54, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.615, "fraction": 0.564}, "binding": {"pIC50": 6.72, "LE": 0.341, "potency_term": 0.574, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.574}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.277, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.615232942081229, "aff_pf": -0.721826175848643, "aff_hs": 0.34877269466718036, "repeats_pf": {"runs": 3, "values": [-0.7465, -0.7339, -0.685], "mean": -0.7218, "spread": 0.0615}, "repeats_hs": {"runs": 3, "values": [0.4405, 0.3584, 0.2474], "mean": 0.3488, "spread": 0.1931}, "at": 1788590374}, "tier": 1, "alerts": [], "total_sd": 0.428, "total_ci95": [42.925, 44.478], "relegate_reason": [], "submitted_at": 1788583496, "scored_at": 1788590374, "rank": 2692}, {"candidate_id": "ODC-A79709", "res_at": 1787019818, "skeleton": "URJYUFVFLWXXEH", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.657, "axes": {"activity": 14.94, "binding": 13.49, "selectivity": 4.79, "admet": 4.45, "novelty": 2.97, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 7.02, "LE": 0.356, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.355, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.478, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.615, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "2", "pAct_q10": 5.496116792736035, "aff_pf": -1.0235191980997722, "aff_hs": -0.3137328078349431, "repeats_pf": {"runs": 3, "values": [-1.0665, -1.0508, -0.9533], "mean": -1.0235, "spread": 0.1132}, "repeats_hs": {"runs": 3, "values": [-0.3489, -0.2021, -0.3902], "mean": -0.3137, "spread": 0.1881}, "at": 1787019818}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019501, "scored_at": 1787019818, "alerts": [], "rank": 2693}, {"candidate_id": "ODC-F6D33E", "res_at": 1786908959, "skeleton": "XPVRRYLZEASSQM", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 43.643, "axes": {"activity": 12.51, "binding": 13.56, "selectivity": 6.73, "admet": 4.15, "novelty": 3.84, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 7.03, "LE": 0.357, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.497, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.919, "ld50-zhu": 0.691, "herg": 0.184, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.350510697259759, "aff_pf": -1.0340926845868428, "aff_hs": -0.04087934891382853, "repeats_pf": {"runs": 3, "values": [-0.9921, -1.1239, -0.9862], "mean": -1.0341, "spread": 0.1377}, "repeats_hs": {"runs": 3, "values": [-0.0592, -0.0334, -0.03], "mean": -0.0409, "spread": 0.0292}, "at": 1786908959}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899440, "scored_at": 1786908959, "alerts": [], "rank": 2694}, {"candidate_id": "ODC-A1F109", "res_at": 1787060638, "skeleton": "VCPKXKBEBMAIGF", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 43.606, "axes": {"activity": 27.47, "binding": 2.4, "selectivity": 0.0, "admet": 3.42, "novelty": 6.41, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.248, "fraction": 0.916}, "binding": {"pIC50": 5.51, "LE": 0.21, "potency_term": 0.171, "efficiency_cap": 0.699}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.171}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.687, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 6.248291640747125, "aff_pf": 0.48611024022102356, "aff_hs": -0.12988696495691934, "repeats_pf": {"runs": 3, "values": [0.6566, 0.5753, 0.2265], "mean": 0.4861, "spread": 0.4301}, "repeats_hs": {"runs": 3, "values": [-0.2709, -0.099, -0.0198], "mean": -0.1299, "spread": 0.2512}, "at": 1787060638}, "tier": 1, "relegate_reason": [], "submitted_at": 1787060381, "scored_at": 1787060638, "alerts": [], "rank": 2695}, {"candidate_id": "ODC-03FB1D", "res_at": 1788192984, "skeleton": "PNMHAZTVXXXPTM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.591, "axes": {"activity": 11.69, "binding": 13.54, "selectivity": 7.36, "admet": 3.64, "novelty": 4.74, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.39}, "binding": {"pIC50": 7.03, "LE": 0.37, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.544, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.265, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.30130557294918, "aff_pf": -1.0311222871144612, "aff_hs": 0.0565564235051473, "repeats_pf": {"runs": 3, "values": [-1.0244, -1.0391, -1.0299], "mean": -1.0311, "spread": 0.0146}, "repeats_hs": {"runs": 3, "values": [0.1053, 0.0438, 0.0206], "mean": 0.0566, "spread": 0.0848}, "at": 1788192984}, "tier": 1, "alerts": [], "total_sd": 0.154, "total_ci95": [43.29, 43.893], "relegate_reason": [], "submitted_at": 1788189760, "scored_at": 1788192984, "rank": 2696}, {"candidate_id": "ODC-FADE4B", "res_at": 1789107670, "skeleton": "MKVSNFZSAUXNEV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.586, "axes": {"activity": 9.43, "binding": 15.44, "selectivity": 6.95, "admet": 4.81, "novelty": 3.86, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.314}, "binding": {"pIC50": 7.32, "LE": 0.386, "potency_term": 0.772, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.45, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.165823194417823, "aff_pf": -1.3161469300587971, "aff_hs": -0.41554155945777893, "repeats_pf": {"runs": 3, "values": [-1.3606, -1.2866, -1.3012], "mean": -1.3161, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [-0.5739, -0.351, -0.3217], "mean": -0.4155, "spread": 0.2523}, "at": 1789107670}, "tier": 1, "alerts": [], "total_sd": 0.644, "total_ci95": [42.391, 44.798], "relegate_reason": [], "submitted_at": 1789093794, "scored_at": 1789107670, "rank": 2697}, {"candidate_id": "ODC-7FEC25", "res_at": 1789924763, "skeleton": "BUQXPLKPRPYYCL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 43.584, "axes": {"activity": 10.58, "binding": 13.01, "selectivity": 10.31, "admet": 4.18, "novelty": 2.77, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.235, "fraction": 0.353}, "binding": {"pIC50": 6.95, "LE": 0.397, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.4, "selectivity_term": 0.792, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.35, "ld50-zhu": 0.452, "herg": 0.526, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.235061118431933, "aff_pf": -0.9513528347015381, "aff_hs": 0.6329769094785055, "repeats_pf": {"runs": 3, "values": [-0.9263, -0.9361, -0.9917], "mean": -0.9514, "spread": 0.0654}, "repeats_hs": {"runs": 3, "values": [0.6882, 0.6003, 0.6105], "mean": 0.633, "spread": 0.0879}, "at": 1789924763}, "tier": 1, "alerts": [], "total_sd": 0.438, "total_ci95": [42.963, 44.557], "relegate_reason": [], "submitted_at": 1789918794, "scored_at": 1789924763, "rank": 2698}, {"candidate_id": "ODC-112AD6", "res_at": 1787583819, "skeleton": "KPDGTIMXFQDULE", "hf_user": "takutoyo", "display_name": "PfD17-09", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 43.573, "axes": {"activity": 25.28, "binding": 6.59, "selectivity": 0.0, "admet": 2.85, "novelty": 5.79, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 6.117, "fraction": 0.843}, "binding": {"pIC50": 6.22, "LE": 0.243, "potency_term": 0.406, "efficiency_cap": 0.811}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.406}, "admet": {"geometric_mean": 0.225, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.4, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 6.116903417262397, "aff_pf": -0.21804124116897583, "aff_hs": -0.5621420939763387, "repeats_pf": {"runs": 3, "values": [-0.3014, -0.1965, -0.1563], "mean": -0.218, "spread": 0.1451}, "repeats_hs": {"runs": 3, "values": [-0.5373, -0.6184, -0.5307], "mean": -0.5621, "spread": 0.0878}, "at": 1787583819}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581737, "scored_at": 1787583819, "alerts": [], "rank": 2699}, {"candidate_id": "ODC-AD4336", "res_at": 1787621491, "skeleton": "SWTQTBJRHNBRDZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 43.571, "axes": {"activity": 16.74, "binding": 12.99, "selectivity": 4.14, "admet": 4.01, "novelty": 2.88, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 6.95, "LE": 0.353, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.319, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.288, "ld50-zhu": 0.321, "herg": 0.154, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.604427580742365, "aff_pf": -0.9487115740776062, "aff_hs": -0.3110918005307515, "repeats_pf": {"runs": 3, "values": [-0.8868, -0.9877, -0.9717], "mean": -0.9487, "spread": 0.1009}, "repeats_hs": {"runs": 3, "values": [-0.3067, -0.3267, -0.2998], "mean": -0.3111, "spread": 0.0269}, "at": 1787621491}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620829, "scored_at": 1787621491, "alerts": [], "rank": 2700}, {"candidate_id": "ODC-B1808F", "res_at": 1789878225, "skeleton": "DGGCWHQGXIVVTM", "hf_user": "Bio-JS", "display_name": "0917-S1-div18", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········3)cc1", "total": 43.565, "axes": {"activity": 14.92, "binding": 12.37, "selectivity": 6.01, "admet": 4.42, "novelty": 2.92, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.495, "fraction": 0.497}, "binding": {"pIC50": 6.86, "LE": 0.427, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.32, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.321, "herg": 0.622, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "0", "pAct_q10": 5.495441711111467, "aff_pf": -0.8556324243545532, "aff_hs": 0.11590001732110977, "repeats_pf": {"runs": 3, "values": [-0.7685, -0.8704, -0.928], "mean": -0.8556, "spread": 0.1596}, "repeats_hs": {"runs": 3, "values": [0.1544, -0.0284, 0.2217], "mean": 0.1159, "spread": 0.2501}, "at": 1789878225}, "tier": 1, "alerts": [], "total_sd": 0.905, "total_ci95": [41.933, 45.539], "relegate_reason": [], "submitted_at": 1789628620, "scored_at": 1789878225, "rank": 2701}, {"candidate_id": "ODC-10D40D", "res_at": 1786807727, "skeleton": "UGXWYYYEUKVZQB", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.559, "axes": {"activity": 10.47, "binding": 13.94, "selectivity": 10.09, "admet": 4.54, "novelty": 1.06, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 5.228, "fraction": 0.349}, "binding": {"pIC50": 7.09, "LE": 0.389, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.1, "selectivity_term": 0.724, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.76, "cyp2c9-veith": 0.455, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.327, "herg": 0.112, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.848, "novelty": 0.152}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.228321690906606, "aff_pf": -1.0905728340148926, "aff_hs": 0.35767389337221783, "repeats_pf": {"runs": 3, "values": [-1.0957, -1.0194, -1.1566], "mean": -1.0906, "spread": 0.1372}, "repeats_hs": {"runs": 3, "values": [0.3342, 0.3744, 0.3644], "mean": 0.3577, "spread": 0.0402}, "at": 1786807727}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789343, "scored_at": 1786807727, "alerts": [], "rank": 2702}, {"candidate_id": "ODC-6ADC49", "res_at": 1788268131, "skeleton": "BWAWCKIKUQABEG", "hf_user": "Ku-ku", "display_name": "KK-M-0831-648", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 43.549, "axes": {"activity": 13.53, "binding": 12.88, "selectivity": 4.48, "admet": 6.02, "novelty": 4.26, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.412, "fraction": 0.451}, "binding": {"pIC50": 6.93, "LE": 0.396, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.706, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.766, "cyp3a4-substrate-carbonmangels": 0.639, "ld50-zhu": 0.425, "herg": 0.097, "dili": 0.336}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.411799719371059, "aff_pf": -0.9323499004046122, "aff_hs": -0.2360735386610031, "repeats_pf": {"runs": 3, "values": [-0.8661, -0.9737, -0.9573], "mean": -0.9323, "spread": 0.1076}, "repeats_hs": {"runs": 3, "values": [-0.1552, -0.3821, -0.1709], "mean": -0.2361, "spread": 0.2268}, "at": 1788268131}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.67, "total_ci95": [42.288, 44.77], "relegate_reason": [], "submitted_at": 1788231445, "scored_at": 1788268131, "rank": 2703}, {"candidate_id": "ODC-F49BB2", "res_at": 1787706114, "skeleton": "BJTAMMFMTRWHNU", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.542, "axes": {"activity": 16.56, "binding": 10.94, "selectivity": 6.43, "admet": 3.73, "novelty": 3.35, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.593, "fraction": 0.552}, "binding": {"pIC50": 6.64, "LE": 0.379, "potency_term": 0.547, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.587, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.52, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.495, "herg": 0.362, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.593405356957956, "aff_pf": -0.641560435295105, "aff_hs": 0.5333990255991617, "repeats_pf": {"runs": 3, "values": [-0.6333, -0.5998, -0.6916], "mean": -0.6416, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [0.6199, 0.4447, 0.5356], "mean": 0.5334, "spread": 0.1752}, "at": 1787706114}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702945, "scored_at": 1787706114, "alerts": [], "rank": 2704}, {"candidate_id": "ODC-4345AC", "res_at": 1786850288, "skeleton": "BUEGOKOKCQHPEY", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.539, "axes": {"activity": 13.11, "binding": 15.24, "selectivity": 3.4, "admet": 4.57, "novelty": 3.94, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.387, "fraction": 0.437}, "binding": {"pIC50": 7.29, "LE": 0.384, "potency_term": 0.762, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.696, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.3867844931753535, "aff_pf": -1.2862657308578491, "aff_hs": -0.8397645155588785, "repeats_pf": {"runs": 3, "values": [-1.2783, -1.3135, -1.2671], "mean": -1.2863, "spread": 0.0464}, "repeats_hs": {"runs": 3, "values": [-0.7724, -0.9147, -0.8321], "mean": -0.8398, "spread": 0.1423}, "at": 1786850288}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847155, "scored_at": 1786850288, "alerts": [], "rank": 2705}, {"candidate_id": "ODC-D7E655", "res_at": 1788559674, "skeleton": "VDTRVXOATNIPAP", "hf_user": "1Dmeds", "display_name": "ODC26-S1D12", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 43.534, "axes": {"activity": 13.68, "binding": 11.7, "selectivity": 8.71, "admet": 3.22, "novelty": 4.13, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 6.94, "LE": 0.272, "potency_term": 0.646, "efficiency_cap": 0.905}, "selectivity": {"fold": 22.3, "selectivity_term": 0.674, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.15, "cyp2c9-veith": 0.361, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.05, "dili": 0.164}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 5.420508044217619, "aff_pf": -0.9379442930221558, "aff_hs": 0.4108425776163737, "repeats_pf": {"runs": 3, "values": [-0.8634, -0.9456, -1.0048], "mean": -0.9379, "spread": 0.1414}, "repeats_hs": {"runs": 3, "values": [0.49, 0.427, 0.3155], "mean": 0.4108, "spread": 0.1745}, "at": 1788559674}, "tier": 1, "alerts": [], "total_sd": 0.926, "total_ci95": [41.77, 45.243], "relegate_reason": [], "submitted_at": 1788555435, "scored_at": 1788559674, "rank": 2706}, {"candidate_id": "ODC-1689B9", "res_at": 1786890903, "skeleton": "TVQRJIMOXXBRMI", "hf_user": "1Dmeds", "display_name": "ODC26-R4A-C6CN", "model_name": "Claude Sonnet 4.6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.533, "axes": {"activity": 12.8, "binding": 13.43, "selectivity": 5.79, "admet": 4.38, "novelty": 4.09, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 7.01, "LE": 0.418, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.111, "ld50-zhu": 0.487, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.367950186233936, "aff_pf": -1.0137816667556763, "aff_hs": -0.15148685375849405, "repeats_pf": {"runs": 3, "values": [-0.9641, -1.089, -0.9883], "mean": -1.0138, "spread": 0.1249}, "repeats_hs": {"runs": 3, "values": [-0.1791, -0.1123, -0.163], "mean": -0.1515, "spread": 0.0668}, "at": 1786890903}, "tier": 1, "relegate_reason": [], "submitted_at": 1786882027, "scored_at": 1786890903, "alerts": [], "rank": 2707}, {"candidate_id": "ODC-6829B6", "res_at": 1787620913, "skeleton": "RLODZPZUYMPCNW", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-메틸-2-옥소아제티딘-3-일 (베타락탐, 유리 NH)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 43.524, "axes": {"activity": 22.97, "binding": 6.82, "selectivity": 3.0, "admet": 2.86, "novelty": 5.23, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.978, "fraction": 0.766}, "binding": {"pIC50": 6.31, "LE": 0.234, "potency_term": 0.438, "efficiency_cap": 0.779}, "selectivity": {"fold": 4.9, "selectivity_term": 0.343, "target_engagement": 0.438}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.27, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.354, "herg": 0.05, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.97805189629023, "aff_pf": -0.3125355343023936, "aff_hs": 0.37377328673998517, "repeats_pf": {"runs": 3, "values": [-0.2112, 0.3798, -1.1062], "mean": -0.3125, "spread": 1.486}, "repeats_hs": {"runs": 3, "values": [0.4072, 0.4198, 0.2944], "mean": 0.3738, "spread": 0.1254}, "at": 1787620913}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618681, "scored_at": 1787620913, "alerts": [], "rank": 2708}, {"candidate_id": "ODC-D8FC0A", "res_at": 1789369985, "skeleton": "RKCXOKLXXYATDO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.516, "axes": {"activity": 8.85, "binding": 16.03, "selectivity": 6.65, "admet": 5.05, "novelty": 4.39, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 7.4, "LE": 0.376, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.354, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.526, "ld50-zhu": 0.97, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.130907670343856, "aff_pf": -1.4040911197662354, "aff_hs": -0.5745052297910055, "repeats_pf": {"runs": 3, "values": [-1.4358, -1.425, -1.3515], "mean": -1.4041, "spread": 0.0842}, "repeats_hs": {"runs": 3, "values": [-0.6244, -0.541, -0.5581], "mean": -0.5745, "spread": 0.0833}, "at": 1789369985}, "tier": 1, "alerts": [], "total_sd": 0.511, "total_ci95": [42.563, 44.375], "relegate_reason": [], "submitted_at": 1789349115, "scored_at": 1789369985, "rank": 2709}, {"candidate_id": "ODC-D7300B", "res_at": 1789911603, "skeleton": "FQXRADVRUCIREW", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.514, "axes": {"activity": 21.04, "binding": 6.36, "selectivity": 4.31, "admet": 4.23, "novelty": 4.43, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.863, "fraction": 0.701}, "binding": {"pIC50": 6.18, "LE": 0.242, "potency_term": 0.394, "efficiency_cap": 0.807}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.394}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.429, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.516, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.862502553262252, "aff_pf": -0.18276265263557434, "aff_hs": 0.911466638247172, "repeats_pf": {"runs": 3, "values": [-0.1815, -0.1845, -0.1823], "mean": -0.1828, "spread": 0.003}, "repeats_hs": {"runs": 3, "values": [0.9386, 1.0266, 0.7692], "mean": 0.9115, "spread": 0.2574}, "at": 1789911603}, "tier": 1, "alerts": [], "total_sd": 0.236, "total_ci95": [43.162, 43.961], "relegate_reason": [], "submitted_at": 1789837463, "scored_at": 1789911603, "rank": 2710}, {"candidate_id": "ODC-F6D059", "res_at": 1786866649, "skeleton": "KGGNDOXOBOYHFQ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.5, "axes": {"activity": 10.44, "binding": 14.05, "selectivity": 7.52, "admet": 4.9, "novelty": 3.76, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.227, "fraction": 0.348}, "binding": {"pIC50": 7.11, "LE": 0.375, "potency_term": 0.703, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.703}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.144, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.663, "herg": 0.395, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.226519421870857, "aff_pf": -1.107941746711731, "aff_hs": -0.03784849246342977, "repeats_pf": {"runs": 3, "values": [-1.088, -1.1128, -1.1231], "mean": -1.1079, "spread": 0.0351}, "repeats_hs": {"runs": 3, "values": [-0.0835, -0.0615, 0.0314], "mean": -0.0378, "spread": 0.1149}, "at": 1786866649}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857225, "scored_at": 1786866649, "alerts": [], "rank": 2711}, {"candidate_id": "ODC-CABFF9", "res_at": 1787015891, "skeleton": "RXHZSMLXVQITEJ", "hf_user": "takutoyo", "display_name": "PfD4-05", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.491, "axes": {"activity": 12.88, "binding": 13.5, "selectivity": 7.26, "admet": 3.76, "novelty": 3.26, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.373, "fraction": 0.429}, "binding": {"pIC50": 7.02, "LE": 0.356, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.538, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.993, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.599, "ld50-zhu": 0.876, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.372734635234114, "aff_pf": -1.0248286724090576, "aff_hs": 0.051542083422342934, "repeats_pf": {"runs": 3, "values": [-1.0768, -1.0142, -0.9834], "mean": -1.0248, "spread": 0.0934}, "repeats_hs": {"runs": 3, "values": [0.0684, 0.0417, 0.0446], "mean": 0.0515, "spread": 0.0267}, "at": 1787015891}, "tier": 1, "relegate_reason": [], "submitted_at": 1787015694, "scored_at": 1787015891, "alerts": [], "rank": 2712}, {"candidate_id": "ODC-1F7B8F", "res_at": 1786877296, "skeleton": "VBNRUGBWZXPNKE", "hf_user": "sunglee", "display_name": "semantic-os gen4b SF5-Br-dfe", "model_name": "glm-5.3", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.477, "axes": {"activity": 12.3, "binding": 15.06, "selectivity": 7.03, "admet": 4.98, "novelty": 1.56, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 7.26, "LE": 0.355, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.088, "cyp3a4-substrate-carbonmangels": 0.802, "ld50-zhu": 0.779, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.792, "novelty": 0.208}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 5.337706111662637, "aff_pf": -1.259567379951477, "aff_hs": -0.3265259563922882, "repeats_pf": {"runs": 3, "values": [-1.2645, -1.2779, -1.2363], "mean": -1.2596, "spread": 0.0416}, "repeats_hs": {"runs": 3, "values": [-0.2166, -0.3635, -0.3995], "mean": -0.3265, "spread": 0.1829}, "at": 1786877296}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867677, "scored_at": 1786877296, "alerts": [], "rank": 2713}, {"candidate_id": "ODC-B4A8F9", "res_at": 1788995146, "skeleton": "RNZBXAJCVUFVBS", "hf_user": "Bio-JS", "display_name": "0910-S1-10", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 43.477, "axes": {"activity": 15.59, "binding": 12.88, "selectivity": 5.31, "admet": 3.09, "novelty": 3.74, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 6.93, "LE": 0.365, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.573, "herg": 0.07, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.535272311857334, "aff_pf": -0.9315090576807658, "aff_hs": -0.10616005957126617, "repeats_pf": {"runs": 3, "values": [-0.8372, -0.9238, -1.0335], "mean": -0.9315, "spread": 0.1964}, "repeats_hs": {"runs": 3, "values": [0.085, -0.2145, -0.189], "mean": -0.1062, "spread": 0.2995}, "at": 1788995146}, "tier": 1, "alerts": [], "total_sd": 1.018, "total_ci95": [41.504, 45.521], "relegate_reason": [], "submitted_at": 1788993316, "scored_at": 1788995146, "rank": 2714}, {"candidate_id": "ODC-7DAFE4", "res_at": 1789961135, "skeleton": "QFQILWMSZBUOMU", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 43.476, "axes": {"activity": 15.09, "binding": 13.94, "selectivity": 2.54, "admet": 4.96, "novelty": 3.97, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.503}, "binding": {"pIC50": 7.09, "LE": 0.389, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.753, "ld50-zhu": 0.552, "herg": 0.256, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.505563533576164, "aff_pf": -1.0912376244862874, "aff_hs": -0.7265247901280721, "repeats_pf": {"runs": 3, "values": [-1.1338, -1.3082, -0.8318], "mean": -1.0912, "spread": 0.4764}, "repeats_hs": {"runs": 3, "values": [-0.6752, -0.6768, -0.8276], "mean": -0.7265, "spread": 0.1524}, "at": 1789961135}, "tier": 1, "alerts": [], "total_sd": 2.32, "total_ci95": [39.971, 48.089], "relegate_reason": [], "submitted_at": 1789876168, "scored_at": 1789961135, "rank": 2715}, {"candidate_id": "ODC-AE7D85", "res_at": 1786851652, "skeleton": "JYEQLWAUKHSXRI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Br)c(F)c2)n2nc(C(F)(F)F)nc2n1", "smiles_masked": null, "total": 43.471, "axes": {"activity": 13.61, "binding": 12.55, "selectivity": 7.63, "admet": 4.88, "novelty": 1.79, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.454}, "binding": {"pIC50": 6.88, "LE": 0.41, "potency_term": 0.627, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.5, "selectivity_term": 0.608, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.541, "cyp3a4-substrate-carbonmangels": 0.535, "ld50-zhu": 0.432, "herg": 0.414, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.714, "novelty": 0.286}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.416379917542989, "aff_pf": -0.8824430306752523, "aff_hs": 0.3337807555993398, "repeats_pf": {"runs": 3, "values": [-0.882, -0.954, -0.8113], "mean": -0.8824, "spread": 0.1426}, "repeats_hs": {"runs": 3, "values": [0.2407, 0.2483, 0.5123], "mean": 0.3338, "spread": 0.2716}, "at": 1786851652}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847510, "scored_at": 1786851652, "alerts": [], "rank": 2716}, {"candidate_id": "ODC-472814", "res_at": 1789354396, "skeleton": "UADRQLHTJPRETG", "hf_user": "Bio-JS", "display_name": "0914-S1-div11", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 43.469, "axes": {"activity": 19.94, "binding": 8.98, "selectivity": 4.49, "admet": 3.22, "novelty": 4.01, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.797, "fraction": 0.665}, "binding": {"pIC50": 6.35, "LE": 0.322, "potency_term": 0.449, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.5, "target_engagement": 0.449}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.47, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.136, "ld50-zhu": 0.552, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.796549246387305, "aff_pf": -0.34700530767440796, "aff_hs": 0.6536768873532613, "repeats_pf": {"runs": 3, "values": [-0.3383, -0.3453, -0.3575], "mean": -0.347, "spread": 0.0192}, "repeats_hs": {"runs": 3, "values": [0.4038, 0.7265, 0.8308], "mean": 0.6537, "spread": 0.427}, "at": 1789354396}, "tier": 1, "alerts": [], "total_sd": 0.44, "total_ci95": [42.491, 44.266], "relegate_reason": [], "submitted_at": 1789346112, "scored_at": 1789354396, "rank": 2717}, {"candidate_id": "ODC-1C5502", "res_at": 1788223368, "skeleton": "LYNSWDIDCVMERN", "hf_user": "Bio-JS", "display_name": "0901-S1 t-뷰틸 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 43.467, "axes": {"activity": 18.12, "binding": 11.26, "selectivity": 5.22, "admet": 2.12, "novelty": 4.03, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.687, "fraction": 0.604}, "binding": {"pIC50": 6.84, "LE": 0.276, "potency_term": 0.613, "efficiency_cap": 0.919}, "selectivity": {"fold": 7.1, "selectivity_term": 0.426, "target_engagement": 0.613}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.481, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.39, "herg": 0.05, "dili": 0.432}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.687398394234425, "aff_pf": -0.8386760751406351, "aff_hs": 0.012917200724283854, "repeats_pf": {"runs": 3, "values": [-0.9242, -0.7697, -0.8222], "mean": -0.8387, "spread": 0.1545}, "repeats_hs": {"runs": 3, "values": [-0.0919, 0.2242, -0.0935], "mean": 0.0129, "spread": 0.3177}, "at": 1788223368}, "tier": 1, "alerts": [], "total_sd": 0.763, "total_ci95": [41.989, 45.008], "relegate_reason": [], "submitted_at": 1788222297, "scored_at": 1788223368, "rank": 2718}, {"candidate_id": "ODC-17790D", "res_at": 1786798018, "skeleton": "KKCBTRGIGVWQFK", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.466, "axes": {"activity": 11.7, "binding": 15.47, "selectivity": 7.4, "admet": 4.51, "novelty": 1.05, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 7.32, "LE": 0.371, "potency_term": 0.773, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.773}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.516, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.424, "herg": 0.079, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.864, "novelty": 0.136}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.302054296340746, "aff_pf": -1.3202589750289917, "aff_hs": -0.3631654580434163, "repeats_pf": {"runs": 3, "values": [-1.3285, -1.3792, -1.253], "mean": -1.3203, "spread": 0.1262}, "repeats_hs": {"runs": 3, "values": [-0.3348, -0.3726, -0.3821], "mean": -0.3632, "spread": 0.0473}, "at": 1786798018}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785076, "scored_at": 1786798018, "alerts": [], "rank": 2719}, {"candidate_id": "ODC-DDECDC", "res_at": 1789383765, "skeleton": "WTTXGNWLGYQSFD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.465, "axes": {"activity": 12.64, "binding": 13.41, "selectivity": 7.17, "admet": 3.59, "novelty": 3.62, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.421}, "binding": {"pIC50": 7.01, "LE": 0.369, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.717, "cyp2c9-veith": 0.285, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.407, "herg": 0.057, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.358632626973438, "aff_pf": -1.0115756591161091, "aff_hs": 0.05817909042040507, "repeats_pf": {"runs": 3, "values": [-1.0545, -0.9745, -1.0057], "mean": -1.0116, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [0.021, 0.0962, 0.0572], "mean": 0.0582, "spread": 0.0752}, "at": 1789383765}, "tier": 1, "alerts": [], "total_sd": 0.436, "total_ci95": [42.713, 44.333], "relegate_reason": [], "submitted_at": 1789365943, "scored_at": 1789383765, "rank": 2720}, {"candidate_id": "ODC-A2A176", "res_at": 1789898526, "skeleton": "OEVGJYGSQCPMRM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.464, "axes": {"activity": 14.56, "binding": 15.22, "selectivity": 0.98, "admet": 5.33, "novelty": 4.23, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.485}, "binding": {"pIC50": 7.28, "LE": 0.37, "potency_term": 0.761, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.761}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.165, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.668, "herg": 0.168, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.4735467258921995, "aff_pf": -1.2826571464538574, "aff_hs": -1.154153823852539, "repeats_pf": {"runs": 3, "values": [-1.1724, -1.3494, -1.3262], "mean": -1.2827, "spread": 0.1769}, "repeats_hs": {"runs": 3, "values": [-1.1127, -1.2014, -1.1483], "mean": -1.1542, "spread": 0.0888}, "at": 1789898526}, "tier": 1, "alerts": [], "total_sd": 0.939, "total_ci95": [41.183, 44.902], "relegate_reason": [], "submitted_at": 1789758150, "scored_at": 1789898526, "rank": 2721}, {"candidate_id": "ODC-B32E70", "res_at": 1789479412, "skeleton": "XNCGQOFVLPBHJJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-A1-R2Sulfone-01", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 43.436, "axes": {"activity": 14.22, "binding": 11.35, "selectivity": 9.69, "admet": 2.5, "novelty": 3.53, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.453, "fraction": 0.474}, "binding": {"pIC50": 6.98, "LE": 0.258, "potency_term": 0.659, "efficiency_cap": 0.861}, "selectivity": {"fold": 29.6, "selectivity_term": 0.736, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 0.944, "pgp-broccatelli": 0.396, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.061, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 5.453003871110655, "aff_pf": -0.9765293002128601, "aff_hs": 0.4947787622610728, "repeats_pf": {"runs": 3, "values": [-0.3855, -1.2636, -1.2805], "mean": -0.9765, "spread": 0.895}, "repeats_hs": {"runs": 3, "values": [0.3462, 0.7623, 0.3759], "mean": 0.4948, "spread": 0.4161}, "at": 1789479412}, "tier": 1, "alerts": [], "total_sd": 5.212, "total_ci95": [36.112, 52.046], "relegate_reason": [], "submitted_at": 1789479160, "scored_at": 1789479412, "rank": 2722}, {"candidate_id": "ODC-24BBD1", "res_at": 1788330242, "skeleton": "DFPGYUBMGCJAKE", "hf_user": "Bio-JS", "display_name": "0902-메틸설폭사이드-HA33", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 43.42, "axes": {"activity": 14.65, "binding": 12.41, "selectivity": 7.56, "admet": 2.62, "novelty": 4.25, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.488}, "binding": {"pIC50": 6.94, "LE": 0.288, "potency_term": 0.646, "efficiency_cap": 0.96}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.483, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.172}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 5.47874994726524, "aff_pf": -0.9388400117556254, "aff_hs": 0.23115612069765726, "repeats_pf": {"runs": 3, "values": [-0.8707, -0.9918, -0.954], "mean": -0.9388, "spread": 0.1211}, "repeats_hs": {"runs": 3, "values": [0.3123, 0.1775, 0.2037], "mean": 0.2312, "spread": 0.1348}, "at": 1788330242}, "tier": 1, "alerts": [], "total_sd": 0.721, "total_ci95": [42.063, 44.724], "relegate_reason": [], "submitted_at": 1788327346, "scored_at": 1788330242, "rank": 2723}, {"candidate_id": "ODC-1E1D99", "res_at": 1789911391, "skeleton": "WPAGCTGDOZNHDA", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.41, "axes": {"activity": 22.04, "binding": 3.96, "selectivity": 4.42, "admet": 5.19, "novelty": 4.65, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.922, "fraction": 0.735}, "binding": {"pIC50": 5.79, "LE": 0.227, "potency_term": 0.262, "efficiency_cap": 0.755}, "selectivity": {"fold": 48.5, "selectivity_term": 0.843, "target_engagement": 0.262}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.475, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.472, "cyp2c9-veith": 0.434, "cyp3a4-substrate-carbonmangels": 0.893, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 5.922427247183159, "aff_pf": 0.2133563756942749, "aff_hs": 1.8990983963012695, "repeats_pf": {"runs": 3, "values": [0.3128, 0.2208, 0.1065], "mean": 0.2134, "spread": 0.2064}, "repeats_hs": {"runs": 3, "values": [1.8785, 1.9227, 1.8961], "mean": 1.8991, "spread": 0.0442}, "at": 1789911391}, "tier": 1, "alerts": [], "total_sd": 0.663, "total_ci95": [42.077, 44.949], "relegate_reason": [], "submitted_at": 1789837460, "scored_at": 1789911391, "rank": 2724}, {"candidate_id": "ODC-F0F3B3", "res_at": 1789306398, "skeleton": "JBXQTHHNBNPIPY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.379, "axes": {"activity": 14.37, "binding": 12.74, "selectivity": 5.39, "admet": 4.16, "novelty": 3.82, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 6.91, "LE": 0.379, "potency_term": 0.637, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.637}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.883, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.625, "herg": 0.18, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.462492683684728, "aff_pf": -0.9105114340782166, "aff_hs": -0.06443810711304347, "repeats_pf": {"runs": 3, "values": [-0.9197, -1.019, -0.7928], "mean": -0.9105, "spread": 0.2262}, "repeats_hs": {"runs": 3, "values": [-0.1057, 0.0017, -0.0893], "mean": -0.0644, "spread": 0.1074}, "at": 1789306398}, "tier": 1, "alerts": [], "total_sd": 1.17, "total_ci95": [40.921, 45.719], "relegate_reason": [], "submitted_at": 1789305704, "scored_at": 1789306398, "rank": 2725}, {"candidate_id": "ODC-EEBCF8", "res_at": 1789266423, "skeleton": "APVPCSUVUUBCOR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.376, "axes": {"activity": 15.42, "binding": 13.15, "selectivity": 5.51, "admet": 2.85, "novelty": 3.5, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.525, "fraction": 0.514}, "binding": {"pIC50": 6.97, "LE": 0.382, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.419, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.5251098929741, "aff_pf": -0.9726173480351766, "aff_hs": -0.13512959579626718, "repeats_pf": {"runs": 3, "values": [-0.9688, -0.9549, -0.9941], "mean": -0.9726, "spread": 0.0392}, "repeats_hs": {"runs": 3, "values": [-0.1321, -0.1395, -0.1338], "mean": -0.1351, "spread": 0.0074}, "at": 1789266423}, "tier": 1, "alerts": [], "total_sd": 0.205, "total_ci95": [43.089, 43.839], "relegate_reason": [], "submitted_at": 1789263351, "scored_at": 1789266423, "rank": 2726}, {"candidate_id": "ODC-9CBEE8", "res_at": 1787383847, "skeleton": "OJTITBFYAGPQJH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 43.37, "axes": {"activity": 20.54, "binding": 8.97, "selectivity": 3.26, "admet": 2.98, "novelty": 4.79, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.833, "fraction": 0.685}, "binding": {"pIC50": 6.68, "LE": 0.241, "potency_term": 0.559, "efficiency_cap": 0.802}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.689, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.832525986597198, "aff_pf": -0.6765905817349752, "aff_hs": -0.09278112649917603, "repeats_pf": {"runs": 3, "values": [-0.4944, -0.7099, -0.8255], "mean": -0.6766, "spread": 0.3311}, "repeats_hs": {"runs": 3, "values": [-0.1957, -0.0474, -0.0353], "mean": -0.0928, "spread": 0.1605}, "at": 1787383847}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383111, "scored_at": 1787383847, "alerts": [], "rank": 2727}, {"candidate_id": "ODC-4938CC", "res_at": 1786857258, "skeleton": "NNAZFECZLBYFSW", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.367, "axes": {"activity": 13.78, "binding": 15.93, "selectivity": 1.99, "admet": 3.99, "novelty": 4.18, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.459}, "binding": {"pIC50": 7.39, "LE": 0.405, "potency_term": 0.796, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.125, "target_engagement": 0.796}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.633, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.261, "ld50-zhu": 0.516, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.42653155266638, "aff_pf": -1.3893964687983196, "aff_hs": -1.1393988927205403, "repeats_pf": {"runs": 3, "values": [-1.3789, -1.3774, -1.4119], "mean": -1.3894, "spread": 0.0345}, "repeats_hs": {"runs": 3, "values": [-1.1711, -1.1435, -1.1036], "mean": -1.1394, "spread": 0.0675}, "at": 1786857258}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847800, "scored_at": 1786857258, "alerts": [], "rank": 2728}, {"candidate_id": "ODC-348F5A", "res_at": 1788140107, "skeleton": "JTNMXINJUIDHDR", "hf_user": "Bio-JS", "display_name": "K1 코어호핑 · 피라졸로[1,5-a]피리미딘", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 43.34, "axes": {"activity": 8.84, "binding": 12.9, "selectivity": 10.98, "admet": 4.24, "novelty": 3.52, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 6.94, "LE": 0.413, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 50.4, "selectivity_term": 0.851, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.43, "herg": 0.58, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.130600797423462, "aff_pf": -0.9351580540339152, "aff_hs": 0.7668697237968445, "repeats_pf": {"runs": 3, "values": [-0.6882, -1.0154, -1.1018], "mean": -0.9352, "spread": 0.4135}, "repeats_hs": {"runs": 3, "values": [0.8864, 0.7942, 0.6201], "mean": 0.7669, "spread": 0.2663}, "at": 1788140107}, "tier": 1, "alerts": [], "total_sd": 2.598, "total_ci95": [37.548, 47.478], "relegate_reason": [], "submitted_at": 1788139202, "scored_at": 1788140107, "rank": 2729}, {"candidate_id": "ODC-E5691B", "res_at": 1786945111, "skeleton": "PVIAEMUSQFMLFK", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCSc1n··········)n2n1", "total": 43.329, "axes": {"activity": 12.29, "binding": 14.88, "selectivity": 5.13, "admet": 3.66, "novelty": 4.19, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.337, "fraction": 0.41}, "binding": {"pIC50": 7.23, "LE": 0.381, "potency_term": 0.744, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.744}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.371, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.6, "ld50-zhu": 0.744, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.337260452902449, "aff_pf": -1.2324597040812175, "aff_hs": -0.5425230264663696, "repeats_pf": {"runs": 3, "values": [-1.1595, -1.3677, -1.1702], "mean": -1.2325, "spread": 0.2082}, "repeats_hs": {"runs": 3, "values": [-0.6338, -0.5082, -0.4856], "mean": -0.5425, "spread": 0.1482}, "at": 1786945111}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934278, "scored_at": 1786945111, "alerts": [], "rank": 2730}, {"candidate_id": "ODC-659CB4", "res_at": 1787316763, "skeleton": "DZQXDMQKURMYBP", "hf_user": "takutoyo", "display_name": "PfD12-07", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 43.319, "axes": {"activity": 24.16, "binding": 8.26, "selectivity": 0.0, "admet": 2.77, "novelty": 5.44, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 6.05, "fraction": 0.805}, "binding": {"pIC50": 6.43, "LE": 0.259, "potency_term": 0.478, "efficiency_cap": 0.864}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.359, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.496, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "3", "pAct_q10": 6.049682420568109, "aff_pf": -0.43383826812108356, "aff_hs": -0.7527301708857218, "repeats_pf": {"runs": 3, "values": [-0.5394, -0.3482, -0.4139], "mean": -0.4338, "spread": 0.1911}, "repeats_hs": {"runs": 3, "values": [-0.6762, -1.016, -0.5659], "mean": -0.7527, "spread": 0.4501}, "at": 1787316763}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315716, "scored_at": 1787316763, "alerts": [], "rank": 2731}, {"candidate_id": "ODC-E179EF", "res_at": 1789101567, "skeleton": "HGBBAFRUEWXELC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.316, "axes": {"activity": 14.72, "binding": 14.67, "selectivity": 2.99, "admet": 4.32, "novelty": 3.61, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.483, "fraction": 0.491}, "binding": {"pIC50": 7.2, "LE": 0.395, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.892, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.579, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.483480247206298, "aff_pf": -1.2011932531992595, "aff_hs": -0.7931385437647501, "repeats_pf": {"runs": 3, "values": [-1.2353, -1.1877, -1.1807], "mean": -1.2012, "spread": 0.0546}, "repeats_hs": {"runs": 3, "values": [-0.7441, -0.866, -0.7693], "mean": -0.7931, "spread": 0.122}, "at": 1789101567}, "tier": 1, "alerts": [], "total_sd": 0.362, "total_ci95": [42.7, 44.254], "relegate_reason": [], "submitted_at": 1789093061, "scored_at": 1789101567, "rank": 2732}, {"candidate_id": "ODC-AF4646", "res_at": 1789310244, "skeleton": "UOMZZPFZJLRQAP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 43.311, "axes": {"activity": 12.78, "binding": 14.16, "selectivity": 7.78, "admet": 4.81, "novelty": 1.47, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 7.12, "LE": 0.349, "potency_term": 0.708, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.55, "target_engagement": 0.708}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.851, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.892, "ld50-zhu": 0.757, "herg": 0.193, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.792, "novelty": 0.208}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "0", "pAct_q10": 5.3670805288888985, "aff_pf": -1.1232558886210124, "aff_hs": -0.024184127648671467, "repeats_pf": {"runs": 3, "values": [-1.1134, -1.1332, -1.1232], "mean": -1.1233, "spread": 0.0199}, "repeats_hs": {"runs": 3, "values": [-0.0384, -0.0505, 0.0163], "mean": -0.0242, "spread": 0.0668}, "at": 1789310244}, "tier": 1, "alerts": [], "total_sd": 0.166, "total_ci95": [43.013, 43.669], "relegate_reason": [], "submitted_at": 1789308621, "scored_at": 1789310244, "rank": 2733}, {"candidate_id": "ODC-3F3897", "res_at": 1787606658, "skeleton": "WSQVPJKWZSTQED", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 43.31, "axes": {"activity": 16.59, "binding": 10.13, "selectivity": 7.73, "admet": 2.73, "novelty": 3.71, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.596, "fraction": 0.553}, "binding": {"pIC50": 6.77, "LE": 0.258, "potency_term": 0.59, "efficiency_cap": 0.859}, "selectivity": {"fold": 20.5, "selectivity_term": 0.655, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.358, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.091, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.16}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.595624980575645, "aff_pf": -0.7697301308314005, "aff_hs": 0.541167418162028, "repeats_pf": {"runs": 3, "values": [-0.7701, -0.8235, -0.7156], "mean": -0.7697, "spread": 0.108}, "repeats_hs": {"runs": 3, "values": [0.5084, 0.5658, 0.5493], "mean": 0.5412, "spread": 0.0574}, "at": 1787606658}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605335, "scored_at": 1787606658, "alerts": [], "rank": 2734}, {"candidate_id": "ODC-276149", "res_at": 1789109289, "skeleton": "FGZMDDRDJLIYNC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.304, "axes": {"activity": 12.89, "binding": 15.74, "selectivity": 3.69, "admet": 3.77, "novelty": 4.0, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.373, "fraction": 0.43}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.787, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.315, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.373268514519548, "aff_pf": -1.3616292476654053, "aff_hs": -0.8930074572563171, "repeats_pf": {"runs": 3, "values": [-1.3975, -1.3373, -1.35], "mean": -1.3616, "spread": 0.0602}, "repeats_hs": {"runs": 3, "values": [-0.8538, -0.8497, -0.9755], "mean": -0.893, "spread": 0.1259}, "at": 1789109289}, "tier": 1, "alerts": [], "total_sd": 0.405, "total_ci95": [42.561, 44.054], "relegate_reason": [], "submitted_at": 1789094035, "scored_at": 1789109289, "rank": 2735}, {"candidate_id": "ODC-93F692", "res_at": 1787584613, "skeleton": "DHEAZPDCZGKNTB", "hf_user": "takutoyo", "display_name": "PfD17-13", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 43.285, "axes": {"activity": 26.27, "binding": 5.58, "selectivity": 0.0, "admet": 3.61, "novelty": 6.01, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 6.176, "fraction": 0.876}, "binding": {"pIC50": 6.08, "LE": 0.232, "potency_term": 0.362, "efficiency_cap": 0.772}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.362}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.14, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.116, "ld50-zhu": 0.941, "herg": 0.05, "dili": 0.094}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 4.56}}, "run": {"gpu": "3", "pAct_q10": 6.176328415406323, "aff_pf": -0.08489849915107091, "aff_hs": -0.48907167712847394, "repeats_pf": {"runs": 3, "values": [-0.0886, -0.1195, -0.0466], "mean": -0.0849, "spread": 0.0729}, "repeats_hs": {"runs": 3, "values": [-0.4395, -0.56, -0.4678], "mean": -0.4891, "spread": 0.1205}, "at": 1787584613}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581784, "scored_at": 1787584613, "alerts": [], "rank": 2736}, {"candidate_id": "ODC-803A85", "res_at": 1789442678, "skeleton": "LCSARIHGSUMNOC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 43.281, "axes": {"activity": 15.27, "binding": 12.42, "selectivity": 6.09, "admet": 2.76, "novelty": 4.0, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 6.86, "LE": 0.362, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.49, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.063, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.091, "ld50-zhu": 0.77, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.516432019724914, "aff_pf": -0.8628299633661906, "aff_hs": 0.1178942322731018, "repeats_pf": {"runs": 3, "values": [-0.8425, -0.9282, -0.8177], "mean": -0.8628, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [0.0164, 0.1846, 0.1527], "mean": 0.1179, "spread": 0.1682}, "at": 1789442678}, "tier": 1, "alerts": [], "total_sd": 0.641, "total_ci95": [42.226, 44.684], "relegate_reason": [], "submitted_at": 1789436159, "scored_at": 1789442678, "rank": 2737}, {"candidate_id": "ODC-17EFA7", "res_at": 1788967036, "skeleton": "BVRFFHZUSOEWBR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 43.235, "axes": {"activity": 11.34, "binding": 15.29, "selectivity": 5.37, "admet": 4.42, "novelty": 3.06, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 7.29, "LE": 0.416, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.153, "cyp2c9-veith": 0.3, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.534, "herg": 0.05, "dili": 0.299}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.280155178005141, "aff_pf": -1.2931460936864216, "aff_hs": -0.5905147592226664, "repeats_pf": {"runs": 3, "values": [-1.3014, -1.3398, -1.2383], "mean": -1.2931, "spread": 0.1014}, "repeats_hs": {"runs": 3, "values": [-0.6299, -0.515, -0.6266], "mean": -0.5905, "spread": 0.1149}, "at": 1788967036}, "tier": 1, "alerts": [], "total_sd": 0.568, "total_ci95": [42.063, 44.266], "relegate_reason": [], "submitted_at": 1788963779, "scored_at": 1788967036, "rank": 2738}, {"candidate_id": "ODC-BA4956", "res_at": 1788604471, "skeleton": "BIJREYGTWRBIKC", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.207, "axes": {"activity": 17.45, "binding": 11.67, "selectivity": 5.62, "admet": 2.66, "novelty": 3.46, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.647, "fraction": 0.582}, "binding": {"pIC50": 6.75, "LE": 0.33, "potency_term": 0.583, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.481, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.504, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.421, "ld50-zhu": 0.73, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.6471211698114905, "aff_pf": -0.7503762245178223, "aff_hs": 0.21202097336451212, "repeats_pf": {"runs": 3, "values": [-0.7412, -0.8179, -0.692], "mean": -0.7504, "spread": 0.1259}, "repeats_hs": {"runs": 3, "values": [0.1655, 0.3121, 0.1584], "mean": 0.212, "spread": 0.1537}, "at": 1788604471}, "tier": 1, "alerts": [], "total_sd": 0.61, "total_ci95": [42.237, 44.595], "relegate_reason": [], "submitted_at": 1788583486, "scored_at": 1788604471, "rank": 2739}, {"candidate_id": "ODC-505B4B", "res_at": 1789109547, "skeleton": "JPPWRDDOFLRVJJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.194, "axes": {"activity": 13.28, "binding": 14.69, "selectivity": 4.23, "admet": 4.54, "novelty": 3.31, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.397, "fraction": 0.443}, "binding": {"pIC50": 7.2, "LE": 0.38, "potency_term": 0.735, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.735}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.615, "herg": 0.218, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.397018344395678, "aff_pf": -1.203959623972575, "aff_hs": -0.6276262402534485, "repeats_pf": {"runs": 3, "values": [-1.1517, -1.2639, -1.1962], "mean": -1.204, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [-0.5366, -0.5552, -0.7911], "mean": -0.6276, "spread": 0.2546}, "at": 1789109547}, "tier": 1, "alerts": [], "total_sd": 0.731, "total_ci95": [41.835, 44.568], "relegate_reason": [], "submitted_at": 1789094075, "scored_at": 1789109547, "rank": 2740}, {"candidate_id": "ODC-9036B6", "res_at": 1789995343, "skeleton": "MKVFXNRHJRSSFO", "hf_user": "Bio-JS", "display_name": "0921-S1-11", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 43.191, "axes": {"activity": 12.37, "binding": 12.49, "selectivity": 7.45, "admet": 4.94, "novelty": 2.96, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 6.87, "LE": 0.428, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.596, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.496, "ld50-zhu": 0.385, "herg": 0.6, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.342437084877268, "aff_pf": -0.872759481271108, "aff_hs": 0.31989313165346783, "repeats_pf": {"runs": 3, "values": [-0.8436, -0.8382, -0.9365], "mean": -0.8728, "spread": 0.0983}, "repeats_hs": {"runs": 3, "values": [0.3748, 0.2269, 0.3579], "mean": 0.3199, "spread": 0.1479}, "at": 1789995343}, "tier": 1, "alerts": [], "total_sd": 0.66, "total_ci95": [42.149, 44.651], "relegate_reason": [], "submitted_at": 1789990061, "scored_at": 1789995343, "rank": 2741}, {"candidate_id": "ODC-6E1DA2", "res_at": 1789896662, "skeleton": "CBEIIEMOHKSXDA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.176, "axes": {"activity": 15.22, "binding": 14.68, "selectivity": 0.0, "admet": 6.02, "novelty": 4.13, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.513, "fraction": 0.507}, "binding": {"pIC50": 7.2, "LE": 0.379, "potency_term": 0.734, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.47, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.685, "herg": 0.253, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.513457097474024, "aff_pf": -1.202010949452718, "aff_hs": -1.29745086034139, "repeats_pf": {"runs": 3, "values": [-1.2298, -1.2193, -1.1569], "mean": -1.202, "spread": 0.0729}, "repeats_hs": {"runs": 3, "values": [-1.2611, -1.2574, -1.3739], "mean": -1.2975, "spread": 0.1165}, "at": 1789896662}, "tier": 1, "alerts": [], "total_sd": 0.237, "total_ci95": [42.604, 43.529], "relegate_reason": [], "submitted_at": 1789758119, "scored_at": 1789896662, "rank": 2742}, {"candidate_id": "ODC-611263", "res_at": 1787605629, "skeleton": "ZONWYVOQWRFZDZ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC1(c2··········)COC1", "total": 43.148, "axes": {"activity": 17.38, "binding": 9.39, "selectivity": 7.32, "admet": 2.67, "novelty": 3.96, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.643, "fraction": 0.579}, "binding": {"pIC50": 6.7, "LE": 0.248, "potency_term": 0.567, "efficiency_cap": 0.827}, "selectivity": {"fold": 19.5, "selectivity_term": 0.645, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.268, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.507, "herg": 0.05, "dili": 0.206}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.643088793680403, "aff_pf": -0.7022473812103271, "aff_hs": 0.5885262290636698, "repeats_pf": {"runs": 3, "values": [-0.7055, -0.7265, -0.6748], "mean": -0.7022, "spread": 0.0517}, "repeats_hs": {"runs": 3, "values": [0.5975, 0.6476, 0.5204], "mean": 0.5885, "spread": 0.1272}, "at": 1787605629}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605231, "scored_at": 1787605629, "alerts": [], "rank": 2743}, {"candidate_id": "ODC-53BC5D", "res_at": 1787623161, "skeleton": "XGRAIKODPNVYMT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 43.14, "axes": {"activity": 10.54, "binding": 17.71, "selectivity": 2.31, "admet": 4.99, "novelty": 3.97, "synthesis": 3.62}, "detail": {"activity": {"pAct_q10": 5.233, "fraction": 0.351}, "binding": {"pIC50": 7.66, "LE": 0.375, "potency_term": 0.886, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.13, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.729, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.339, "ld50-zhu": 0.477, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.232677955081932, "aff_pf": -1.6566216150919597, "aff_hs": -1.395868142445882, "repeats_pf": {"runs": 3, "values": [-1.6663, -1.6521, -1.6514], "mean": -1.6566, "spread": 0.0149}, "repeats_hs": {"runs": 3, "values": [-1.4613, -1.4321, -1.2942], "mean": -1.3959, "spread": 0.1671}, "at": 1787623161}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620941, "scored_at": 1787623161, "alerts": [], "rank": 2744}, {"candidate_id": "ODC-E71FD2", "res_at": 1788529133, "skeleton": "ANTBYCMHQGODRX", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 43.113, "axes": {"activity": 14.27, "binding": 12.38, "selectivity": 5.48, "admet": 5.16, "novelty": 3.1, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.476}, "binding": {"pIC50": 6.86, "LE": 0.391, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.443, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.967, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.514, "ld50-zhu": 0.344, "herg": 0.887, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.455904284609296, "aff_pf": -0.8577430844306946, "aff_hs": 0.027473020056883495, "repeats_pf": {"runs": 3, "values": [-0.8884, -0.834, -0.8508], "mean": -0.8577, "spread": 0.0544}, "repeats_hs": {"runs": 3, "values": [0.052, 0.0461, -0.0157], "mean": 0.0275, "spread": 0.0677}, "at": 1788529133}, "tier": 1, "alerts": [], "total_sd": 0.307, "total_ci95": [42.582, 43.662], "relegate_reason": [], "submitted_at": 1788489384, "scored_at": 1788529133, "rank": 2745}, {"candidate_id": "ODC-2E756E", "res_at": 1789436475, "skeleton": "CSTPGDWDLRKERV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 43.112, "axes": {"activity": 14.03, "binding": 12.83, "selectivity": 6.29, "admet": 4.48, "novelty": 3.7, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 6.92, "LE": 0.306, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.49, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.381, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.996, "ld50-zhu": 0.876, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 4.06}}, "run": {"gpu": "0", "pAct_q10": 5.441996601405721, "aff_pf": -0.9238598148028055, "aff_hs": 0.05689124266306559, "repeats_pf": {"runs": 3, "values": [-0.9832, -0.8902, -0.8982], "mean": -0.9239, "spread": 0.093}, "repeats_hs": {"runs": 3, "values": [0.1055, 0.0453, 0.0199], "mean": 0.0569, "spread": 0.0856}, "at": 1789436475}, "tier": 1, "alerts": [], "total_sd": 0.546, "total_ci95": [42.268, 44.157], "relegate_reason": [], "submitted_at": 1789435132, "scored_at": 1789436475, "rank": 2746}, {"candidate_id": "ODC-E7B2D3", "res_at": 1787505639, "skeleton": "QINOZQIPKAJFRI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 43.105, "axes": {"activity": 18.45, "binding": 8.66, "selectivity": 6.44, "admet": 2.65, "novelty": 4.07, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.707, "fraction": 0.615}, "binding": {"pIC50": 6.6, "LE": 0.244, "potency_term": 0.532, "efficiency_cap": 0.814}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.116, "ld50-zhu": 0.462, "herg": 0.05, "dili": 0.104}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.706907830725306, "aff_pf": -0.5961976846059164, "aff_hs": 0.6145613789558411, "repeats_pf": {"runs": 3, "values": [-0.6735, -0.6763, -0.4388], "mean": -0.5962, "spread": 0.2375}, "repeats_hs": {"runs": 3, "values": [0.5268, 0.648, 0.6689], "mean": 0.6146, "spread": 0.142}, "at": 1787505639}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497944, "scored_at": 1787505639, "alerts": [], "rank": 2747}, {"candidate_id": "ODC-5BCEBF", "res_at": 1788491282, "skeleton": "YGACZIUNYXQSQX", "hf_user": "Ku-ku", "display_name": "KK-M-0903-685", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 43.093, "axes": {"activity": 9.59, "binding": 15.27, "selectivity": 6.58, "admet": 3.84, "novelty": 5.68, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.176, "fraction": 0.32}, "binding": {"pIC50": 7.29, "LE": 0.37, "potency_term": 0.764, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.764}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.106, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 0.677, "ld50-zhu": 0.41, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 4.05}}, "run": {"gpu": "0", "pAct_q10": 5.175577535103164, "aff_pf": -1.2910956541697185, "aff_hs": -0.4295393029848735, "repeats_pf": {"runs": 3, "values": [-1.1064, -1.4215, -1.3454], "mean": -1.2911, "spread": 0.3151}, "repeats_hs": {"runs": 3, "values": [-0.5134, -0.3264, -0.4489], "mean": -0.4295, "spread": 0.187}, "at": 1788491282}, "tier": 1, "alerts": [], "total_sd": 1.697, "total_ci95": [40.338, 45.966], "relegate_reason": [], "submitted_at": 1788430791, "scored_at": 1788491282, "rank": 2748}, {"candidate_id": "ODC-E12399", "res_at": 1787559784, "skeleton": "IAYLCXSNJKHPDB", "hf_user": "takutoyo", "display_name": "PfD16-15", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········n2)n1", "total": 43.092, "axes": {"activity": 23.96, "binding": 8.38, "selectivity": 0.0, "admet": 2.89, "novelty": 5.07, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 6.037, "fraction": 0.799}, "binding": {"pIC50": 6.38, "LE": 0.273, "potency_term": 0.46, "efficiency_cap": 0.911}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.461, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.499, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 6.037335612850154, "aff_pf": -0.3811480204264323, "aff_hs": -0.5038732290267944, "repeats_pf": {"runs": 3, "values": [-0.4058, -0.3849, -0.3528], "mean": -0.3811, "spread": 0.053}, "repeats_hs": {"runs": 3, "values": [-0.6405, -0.4044, -0.4667], "mean": -0.5039, "spread": 0.2361}, "at": 1787559784}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544184, "scored_at": 1787559784, "alerts": [], "rank": 2749}, {"candidate_id": "ODC-385D3F", "res_at": 1787389184, "skeleton": "HMFRDNTWEPGKOD", "hf_user": "Ku-ku", "display_name": "V7_SCHF2_to_CHF2", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.082, "axes": {"activity": 7.65, "binding": 12.84, "selectivity": 12.23, "admet": 5.15, "novelty": 2.27, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.059, "fraction": 0.255}, "binding": {"pIC50": 6.93, "LE": 0.452, "potency_term": 0.642, "efficiency_cap": 1.0}, "selectivity": {"fold": 80.2, "selectivity_term": 0.952, "target_engagement": 0.642}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.582, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.379, "herg": 0.78, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.646, "novelty": 0.354}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.059059682736712, "aff_pf": -0.9263712565104166, "aff_hs": 0.977709968884786, "repeats_pf": {"runs": 3, "values": [-0.8879, -0.8724, -1.0188], "mean": -0.9264, "spread": 0.1464}, "repeats_hs": {"runs": 3, "values": [1.0065, 0.9327, 0.9939], "mean": 0.9777, "spread": 0.0738}, "at": 1787389184}, "tier": 1, "relegate_reason": [], "submitted_at": 1787388031, "scored_at": 1787389184, "alerts": [], "rank": 2750}, {"candidate_id": "ODC-89B90F", "res_at": 1786773744, "skeleton": "JVRFVQBDWNTHOM", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC2-P3-IodoDifluoro", "model_name": "OpenCrab-ALEXAI candidate panel v0.2", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.08, "axes": {"activity": 13.7, "binding": 13.17, "selectivity": 6.4, "admet": 4.43, "novelty": 2.61, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.98, "LE": 0.398, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.34, "cyp3a4-substrate-carbonmangels": 0.351, "ld50-zhu": 0.311, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.604, "novelty": 0.396}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.422166899135726, "aff_pf": -0.9752057790756226, "aff_hs": -0.0029352903366088867, "at": 1786773744}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772847, "scored_at": 1786773744, "alerts": [], "rank": 2751}, {"candidate_id": "ODC-98810A", "res_at": 1787585006, "skeleton": "QUWCVGZLXIXYMF", "hf_user": "takutoyo", "display_name": "PfD17-15", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 43.074, "axes": {"activity": 24.1, "binding": 7.28, "selectivity": 1.3, "admet": 2.99, "novelty": 5.52, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 6.046, "fraction": 0.803}, "binding": {"pIC50": 6.29, "LE": 0.254, "potency_term": 0.431, "efficiency_cap": 0.845}, "selectivity": {"fold": 2.0, "selectivity_term": 0.151, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.857, "herg": 0.131, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 6.046116666255374, "aff_pf": -0.2915966808795929, "aff_hs": 0.010732670625050863, "repeats_pf": {"runs": 3, "values": [-0.3198, -0.2339, -0.3211], "mean": -0.2916, "spread": 0.0872}, "repeats_hs": {"runs": 3, "values": [-0.4263, 0.2231, 0.2354], "mean": 0.0107, "spread": 0.6617}, "at": 1787585006}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581807, "scored_at": 1787585006, "alerts": [], "rank": 2752}, {"candidate_id": "ODC-07AFCA", "res_at": 1789110326, "skeleton": "SPPLAMCVHNGRBC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.065, "axes": {"activity": 12.18, "binding": 12.15, "selectivity": 9.19, "admet": 4.02, "novelty": 3.04, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 6.82, "LE": 0.374, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.5, "selectivity_term": 0.756, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.428, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.84, "cyp3a4-substrate-carbonmangels": 0.09, "ld50-zhu": 0.387, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.330887657576597, "aff_pf": -0.8232203324635824, "aff_hs": 0.6883029143015543, "repeats_pf": {"runs": 3, "values": [-0.7215, -0.8108, -0.9375], "mean": -0.8232, "spread": 0.216}, "repeats_hs": {"runs": 3, "values": [0.6571, 0.6044, 0.8034], "mean": 0.6883, "spread": 0.199}, "at": 1789110326}, "tier": 1, "alerts": [], "total_sd": 1.236, "total_ci95": [40.936, 45.739], "relegate_reason": [], "submitted_at": 1789094274, "scored_at": 1789110326, "rank": 2753}, {"candidate_id": "ODC-5F8EF7", "res_at": 1789624070, "skeleton": "TWGJOARJKFFGHO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.059, "axes": {"activity": 17.86, "binding": 9.49, "selectivity": 4.89, "admet": 5.15, "novelty": 3.12, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.672, "fraction": 0.595}, "binding": {"pIC50": 6.42, "LE": 0.367, "potency_term": 0.474, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.7, "selectivity_term": 0.515, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.455, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.581, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.671832927419748, "aff_pf": -0.4234393040339152, "aff_hs": 0.6070249676704407, "repeats_pf": {"runs": 3, "values": [-0.4864, -0.4594, -0.3245], "mean": -0.4234, "spread": 0.162}, "repeats_hs": {"runs": 3, "values": [0.4941, 0.8839, 0.4431], "mean": 0.607, "spread": 0.4408}, "at": 1789624070}, "tier": 1, "alerts": [], "total_sd": 0.845, "total_ci95": [41.548, 44.944], "relegate_reason": [], "submitted_at": 1789619381, "scored_at": 1789624070, "rank": 2754}, {"candidate_id": "ODC-36E53E", "res_at": 1787411098, "skeleton": "HZMLWMBGBXUSKK", "hf_user": "Ku-ku", "display_name": "E9_ureaLink", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.027, "axes": {"activity": 18.91, "binding": 9.44, "selectivity": 4.14, "admet": 4.07, "novelty": 3.51, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.734, "fraction": 0.63}, "binding": {"pIC50": 6.42, "LE": 0.352, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.842, "ld50-zhu": 0.215, "herg": 0.804, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.734399016137367, "aff_pf": -0.4158881704012553, "aff_hs": 0.46030116081237793, "repeats_pf": {"runs": 3, "values": [-0.3564, -0.3945, -0.4967], "mean": -0.4159, "spread": 0.1403}, "repeats_hs": {"runs": 3, "values": [0.5793, 0.5274, 0.2742], "mean": 0.4603, "spread": 0.3051}, "at": 1787411098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407712, "scored_at": 1787411098, "alerts": [], "rank": 2755}, {"candidate_id": "ODC-C87705", "res_at": 1786927394, "skeleton": "WMIUOXCTFBXOMY", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2cPr-C6H-4CF2Me", "model_name": "ODC-2026-R6", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 43.027, "axes": {"activity": 16.33, "binding": 13.18, "selectivity": 4.22, "admet": 3.92, "novelty": 2.4, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.544}, "binding": {"pIC50": 6.98, "LE": 0.382, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.945, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.098, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.579934509418913, "aff_pf": -0.9769783218701681, "aff_hs": -0.3364998996257782, "repeats_pf": {"runs": 3, "values": [-0.9062, -1.0528, -0.972], "mean": -0.977, "spread": 0.1466}, "repeats_hs": {"runs": 3, "values": [-0.3103, -0.3153, -0.3839], "mean": -0.3365, "spread": 0.0736}, "at": 1786927394}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923853, "scored_at": 1786927394, "alerts": [], "rank": 2756}, {"candidate_id": "ODC-D6DB72", "res_at": 1786986051, "skeleton": "DDSIGKZVRDVLFQ", "hf_user": "1Dmeds", "display_name": "ODC26-R7-22", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 43.026, "axes": {"activity": 15.03, "binding": 10.96, "selectivity": 7.03, "admet": 4.45, "novelty": 2.89, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 6.64, "LE": 0.414, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.2, "selectivity_term": 0.642, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.356, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "2", "pAct_q10": 5.501563857976155, "aff_pf": -0.6432950297991434, "aff_hs": 0.6402217944463094, "repeats_pf": {"runs": 3, "values": [-0.5991, -0.7117, -0.6191], "mean": -0.6433, "spread": 0.1126}, "repeats_hs": {"runs": 3, "values": [0.6419, 0.6604, 0.6184], "mean": 0.6402, "spread": 0.0421}, "at": 1786986051}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980487, "scored_at": 1786986051, "alerts": [], "rank": 2757}, {"candidate_id": "ODC-DC9718", "res_at": 1788062125, "skeleton": "PILZPPSSXVNAGL", "hf_user": "Bio-JS", "display_name": "05 A2 오쏘 2-에타이닐", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 43.026, "axes": {"activity": 13.71, "binding": 12.58, "selectivity": 6.99, "admet": 2.77, "novelty": 4.69, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.423, "fraction": 0.457}, "binding": {"pIC50": 7.14, "LE": 0.264, "potency_term": 0.714, "efficiency_cap": 0.881}, "selectivity": {"fold": 9.5, "selectivity_term": 0.49, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.439, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.524, "herg": 0.05, "dili": 0.289}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "0", "pAct_q10": 5.422633735724416, "aff_pf": -1.141172170639038, "aff_hs": -0.16177981595198312, "repeats_pf": {"runs": 3, "values": [-1.1539, -1.1395, -1.1301], "mean": -1.1412, "spread": 0.0237}, "repeats_hs": {"runs": 3, "values": [-0.1808, -0.1349, -0.1696], "mean": -0.1618, "spread": 0.0459}, "at": 1788062125}, "tier": 1, "alerts": [], "total_sd": 0.156, "total_ci95": [42.735, 43.326], "relegate_reason": [], "submitted_at": 1788017313, "scored_at": 1788062125, "rank": 2758}, {"candidate_id": "ODC-A71F9B", "res_at": 1787324066, "skeleton": "KGWBGQVNMCUSTB", "hf_user": "Ku-ku", "display_name": "F_4I_3SMe", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········ccc1I", "total": 43.022, "axes": {"activity": 18.11, "binding": 12.24, "selectivity": 3.84, "admet": 3.66, "novelty": 2.62, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.687, "fraction": 0.604}, "binding": {"pIC50": 6.84, "LE": 0.39, "potency_term": 0.612, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.612}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.375, "herg": 0.252, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.571, "novelty": 0.429}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.686593053165911, "aff_pf": -0.836576521396637, "aff_hs": -0.20945773522059122, "repeats_pf": {"runs": 3, "values": [-0.8864, -0.8799, -0.7434], "mean": -0.8366, "spread": 0.1431}, "repeats_hs": {"runs": 3, "values": [-0.2004, -0.2509, -0.1771], "mean": -0.2095, "spread": 0.0738}, "at": 1787324066}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322694, "scored_at": 1787324066, "alerts": [], "rank": 2759}, {"candidate_id": "ODC-E6FEE0", "res_at": 1786940004, "skeleton": "RTVZHYMYHAWLDM", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)(F)F", "total": 43.008, "axes": {"activity": 14.57, "binding": 12.89, "selectivity": 4.98, "admet": 4.19, "novelty": 3.62, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 6.93, "LE": 0.365, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.386, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.892, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.385, "ld50-zhu": 0.614, "herg": 0.076, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 5.474020076318456, "aff_pf": -0.9332279960314432, "aff_hs": -0.16094334423542023, "repeats_pf": {"runs": 3, "values": [-0.9092, -0.9431, -0.9473], "mean": -0.9332, "spread": 0.0381}, "repeats_hs": {"runs": 3, "values": [-0.162, -0.1983, -0.1225], "mean": -0.1609, "spread": 0.0758}, "at": 1786940004}, "tier": 1, "relegate_reason": [], "submitted_at": 1786927870, "scored_at": 1786940004, "alerts": [], "rank": 2760}, {"candidate_id": "ODC-855330", "res_at": 1788548811, "skeleton": "SHLYMDURIRLWMA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 42.998, "axes": {"activity": 13.58, "binding": 13.7, "selectivity": 5.75, "admet": 5.01, "novelty": 2.59, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.415, "fraction": 0.453}, "binding": {"pIC50": 7.05, "LE": 0.358, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.68, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.433}}, "novelty": {"max_tanimoto": 0.621, "novelty": 0.379}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.415074249755832, "aff_pf": -1.0548906326293945, "aff_hs": -0.2156781405210495, "repeats_pf": {"runs": 3, "values": [-1.0713, -1.0565, -1.0369], "mean": -1.0549, "spread": 0.0344}, "repeats_hs": {"runs": 3, "values": [-0.2695, -0.1536, -0.2239], "mean": -0.2157, "spread": 0.1159}, "at": 1788548811}, "tier": 1, "alerts": [], "total_sd": 0.267, "total_ci95": [42.493, 43.529], "relegate_reason": [], "submitted_at": 1788495890, "scored_at": 1788548811, "rank": 2761}, {"candidate_id": "ODC-A91F78", "res_at": 1789104080, "skeleton": "MEOZSXNOHHLIPN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.987, "axes": {"activity": 9.4, "binding": 13.95, "selectivity": 8.95, "admet": 5.23, "novelty": 2.28, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.164, "fraction": 0.313}, "binding": {"pIC50": 7.09, "LE": 0.405, "potency_term": 0.697, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.2, "selectivity_term": 0.642, "target_engagement": 0.697}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.565, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.594, "herg": 0.139, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.164086809874062, "aff_pf": -1.092265526453654, "aff_hs": 0.19173308710257211, "repeats_pf": {"runs": 3, "values": [-1.1079, -1.0038, -1.165], "mean": -1.0923, "spread": 0.1612}, "repeats_hs": {"runs": 3, "values": [0.2117, 0.2249, 0.1385], "mean": 0.1917, "spread": 0.0864}, "at": 1789104080}, "tier": 1, "alerts": [], "total_sd": 0.942, "total_ci95": [41.139, 44.711], "relegate_reason": [], "submitted_at": 1789093378, "scored_at": 1789104080, "rank": 2762}, {"candidate_id": "ODC-F121F5", "res_at": 1787582627, "skeleton": "QPNLWYFIZNTWLJ", "hf_user": "takutoyo", "display_name": "PfD17-03", "model_name": "", "mw_band": "550-600", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.961, "axes": {"activity": 24.23, "binding": 7.18, "selectivity": 0.67, "admet": 2.69, "novelty": 5.63, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 6.054, "fraction": 0.808}, "binding": {"pIC50": 6.4, "LE": 0.231, "potency_term": 0.466, "efficiency_cap": 0.769}, "selectivity": {"fold": 1.4, "selectivity_term": 0.072, "target_engagement": 0.466}, "admet": {"geometric_mean": 0.222, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.321, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.861, "herg": 0.065, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "3", "pAct_q10": 6.053599867877679, "aff_pf": -0.39944318930308026, "aff_hs": -0.2552000979582469, "repeats_pf": {"runs": 3, "values": [-0.2907, -0.3703, -0.5374], "mean": -0.3994, "spread": 0.2467}, "repeats_hs": {"runs": 3, "values": [-0.4816, -0.1153, -0.1687], "mean": -0.2552, "spread": 0.3664}, "at": 1787582627}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581675, "scored_at": 1787582627, "alerts": [], "rank": 2763}, {"candidate_id": "ODC-4E8AA5", "res_at": 1789181026, "skeleton": "XMNBAKIYFCBECK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.958, "axes": {"activity": 14.7, "binding": 11.91, "selectivity": 7.86, "admet": 3.72, "novelty": 2.13, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.79, "LE": 0.387, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.642, "novelty": 0.358}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.4820748289635395, "aff_pf": -0.7864317496617635, "aff_hs": 0.5337550838788351, "repeats_pf": {"runs": 3, "values": [-0.7796, -0.8041, -0.7756], "mean": -0.7864, "spread": 0.0285}, "repeats_hs": {"runs": 3, "values": [0.4688, 0.587, 0.5455], "mean": 0.5338, "spread": 0.1182}, "at": 1789181026}, "tier": 1, "alerts": [], "total_sd": 0.237, "total_ci95": [42.519, 43.402], "relegate_reason": [], "submitted_at": 1789174234, "scored_at": 1789181026, "rank": 2764}, {"candidate_id": "ODC-FB34F8", "res_at": 1787410700, "skeleton": "PERYXNZKNZFBKD", "hf_user": "Ku-ku", "display_name": "E7_benzyl", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.946, "axes": {"activity": 21.26, "binding": 6.06, "selectivity": 3.33, "admet": 5.05, "novelty": 3.91, "synthesis": 3.33}, "detail": {"activity": {"pAct_q10": 5.876, "fraction": 0.709}, "binding": {"pIC50": 5.91, "LE": 0.352, "potency_term": 0.303, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.5, "selectivity_term": 0.549, "target_engagement": 0.303}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.369, "herg": 0.344, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.875856438160986, "aff_pf": 0.09044560169180234, "aff_hs": 1.1878083944320679, "repeats_pf": {"runs": 3, "values": [-0.0926, 0.0325, 0.3315], "mean": 0.0904, "spread": 0.4241}, "repeats_hs": {"runs": 3, "values": [1.2519, 1.271, 1.0405], "mean": 1.1878, "spread": 0.2305}, "at": 1787410700}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407704, "scored_at": 1787410700, "alerts": [], "rank": 2765}, {"candidate_id": "ODC-FF4373", "res_at": 1787126165, "skeleton": "OQSJAGNLFYONIR", "hf_user": "takutoyo", "display_name": "PfD7-B3", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.938, "axes": {"activity": 19.25, "binding": 9.53, "selectivity": 2.99, "admet": 3.8, "novelty": 4.97, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.755, "fraction": 0.642}, "binding": {"pIC50": 6.43, "LE": 0.367, "potency_term": 0.477, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.458, "herg": 0.432, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.225, "novelty": 0.775}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.755237222687874, "aff_pf": -0.42972030242284137, "aff_hs": 0.19865907231966654, "repeats_pf": {"runs": 3, "values": [-0.3952, -0.44, -0.4539], "mean": -0.4297, "spread": 0.0587}, "repeats_hs": {"runs": 3, "values": [0.195, 0.0874, 0.3136], "mean": 0.1987, "spread": 0.2262}, "at": 1787126165}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108236, "scored_at": 1787126165, "alerts": [], "rank": 2766}, {"candidate_id": "ODC-4EB952", "res_at": 1788543510, "skeleton": "LYGILIAABDKCQD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.931, "axes": {"activity": 12.15, "binding": 13.21, "selectivity": 8.11, "admet": 4.79, "novelty": 1.55, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.98, "LE": 0.398, "potency_term": 0.66, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.9, "selectivity_term": 0.614, "target_engagement": 0.66}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.44, "herg": 0.592, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.765, "novelty": 0.235}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "0", "pAct_q10": 5.328762052346513, "aff_pf": -0.9810066421826681, "aff_hs": 0.2465190291404724, "repeats_pf": {"runs": 3, "values": [-0.9272, -1.0551, -0.9607], "mean": -0.981, "spread": 0.128}, "repeats_hs": {"runs": 3, "values": [0.1762, 0.1272, 0.4362], "mean": 0.2465, "spread": 0.309}, "at": 1788543510}, "tier": 1, "alerts": [], "total_sd": 0.825, "total_ci95": [41.433, 44.478], "relegate_reason": [], "submitted_at": 1788495707, "scored_at": 1788543510, "rank": 2767}, {"candidate_id": "ODC-79FB2D", "res_at": 1789563324, "skeleton": "GGHBBQWVMXEPMQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 42.928, "axes": {"activity": 13.17, "binding": 13.11, "selectivity": 5.85, "admet": 4.68, "novelty": 4.31, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 6.98, "LE": 0.299, "potency_term": 0.659, "efficiency_cap": 0.996}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.351, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.969, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "0", "pAct_q10": 5.390267985603064, "aff_pf": -0.9759507179260254, "aff_hs": -0.08736181010802586, "repeats_pf": {"runs": 3, "values": [-1.0074, -1.0255, -0.8949], "mean": -0.976, "spread": 0.1306}, "repeats_hs": {"runs": 3, "values": [-0.0435, -0.0305, -0.1882], "mean": -0.0874, "spread": 0.1577}, "at": 1789563324}, "tier": 1, "alerts": [], "total_sd": 0.874, "total_ci95": [40.929, 44.34], "relegate_reason": [], "submitted_at": 1789563048, "scored_at": 1789563324, "rank": 2768}, {"candidate_id": "ODC-29FB8C", "res_at": 1788538937, "skeleton": "VKSXRTGRKPWIOZ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Cl", "total": 42.926, "axes": {"activity": 12.65, "binding": 14.35, "selectivity": 5.58, "admet": 4.53, "novelty": 2.35, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 7.15, "LE": 0.408, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.246, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.354, "herg": 0.372, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.359145478848725, "aff_pf": -1.1524464289347331, "aff_hs": -0.37500274181365967, "repeats_pf": {"runs": 3, "values": [-1.1759, -1.1346, -1.1468], "mean": -1.1524, "spread": 0.0413}, "repeats_hs": {"runs": 3, "values": [-0.3959, -0.3854, -0.3437], "mean": -0.375, "spread": 0.0522}, "at": 1788538937}, "tier": 1, "alerts": [], "total_sd": 0.25, "total_ci95": [42.51, 43.426], "relegate_reason": [], "submitted_at": 1788495798, "scored_at": 1788538937, "rank": 2769}, {"candidate_id": "ODC-B21DA7", "res_at": 1787401530, "skeleton": "SQNWDKWIUZTAJJ", "hf_user": "Ku-ku", "display_name": "W5_5CF3_ringF", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1c(C(··········I)cc1", "total": 42.923, "axes": {"activity": 18.18, "binding": 9.09, "selectivity": 5.18, "admet": 3.85, "novelty": 4.17, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.691, "fraction": 0.606}, "binding": {"pIC50": 6.36, "LE": 0.335, "potency_term": 0.454, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.544, "ld50-zhu": 0.669, "herg": 0.236, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.690578132551876, "aff_pf": -0.36275628209114075, "aff_hs": 0.7769049604733785, "repeats_pf": {"runs": 3, "values": [-0.2648, -0.4227, -0.4008], "mean": -0.3628, "spread": 0.1578}, "repeats_hs": {"runs": 3, "values": [0.8193, 0.8383, 0.673], "mean": 0.7769, "spread": 0.1653}, "at": 1787401530}, "tier": 1, "relegate_reason": [], "submitted_at": 1787400907, "scored_at": 1787401530, "alerts": [], "rank": 2770}, {"candidate_id": "ODC-6D0611", "res_at": 1789339972, "skeleton": "BDWHXJIIQOBYKA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.857, "axes": {"activity": 15.19, "binding": 11.33, "selectivity": 5.89, "admet": 4.85, "novelty": 3.19, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.512, "fraction": 0.506}, "binding": {"pIC50": 6.7, "LE": 0.382, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.52, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.613, "cyp3a4-substrate-carbonmangels": 0.539, "ld50-zhu": 0.505, "herg": 0.87, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.51157169027852, "aff_pf": -0.6989853382110596, "aff_hs": 0.3406907220681508, "repeats_pf": {"runs": 3, "values": [-0.6798, -0.7245, -0.6927], "mean": -0.699, "spread": 0.0447}, "repeats_hs": {"runs": 3, "values": [0.4803, 0.3271, 0.2147], "mean": 0.3407, "spread": 0.2656}, "at": 1789339972}, "tier": 1, "alerts": [], "total_sd": 0.419, "total_ci95": [42.126, 43.885], "relegate_reason": [], "submitted_at": 1789329715, "scored_at": 1789339972, "rank": 2771}, {"candidate_id": "ODC-CF1B3E", "res_at": 1788053171, "skeleton": "WLONUIRYQAZBJS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 42.846, "axes": {"activity": 12.34, "binding": 13.56, "selectivity": 5.14, "admet": 6.79, "novelty": 2.17, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 7.03, "LE": 0.419, "potency_term": 0.678, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.379, "target_engagement": 0.678}, "admet": {"geometric_mean": 0.667, "per_endpoint": {"solubility-aqsoldb": 0.575, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.537, "ld50-zhu": 0.392, "herg": 1.0, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.68, "novelty": 0.32}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.3404904942341105, "aff_pf": -1.0345237056414287, "aff_hs": -0.2770237922668457, "repeats_pf": {"runs": 3, "values": [-0.9275, -1.0927, -1.0834], "mean": -1.0345, "spread": 0.1652}, "repeats_hs": {"runs": 3, "values": [-0.3067, -0.1877, -0.3367], "mean": -0.277, "spread": 0.149}, "at": 1788053171}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.956, "total_ci95": [40.553, 44.331], "relegate_reason": [], "submitted_at": 1788003381, "scored_at": 1788053171, "rank": 2772}, {"candidate_id": "ODC-D04233", "res_at": 1787443125, "skeleton": "SFDWXBIUNDGOMA", "hf_user": "1Dmeds", "display_name": "ODC26-C3", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········nc2n1", "total": 42.844, "axes": {"activity": 24.87, "binding": 5.04, "selectivity": 1.08, "admet": 3.15, "novelty": 4.95, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.092, "fraction": 0.829}, "binding": {"pIC50": 5.97, "LE": 0.234, "potency_term": 0.323, "efficiency_cap": 0.779}, "selectivity": {"fold": 2.2, "selectivity_term": 0.166, "target_engagement": 0.323}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.485, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.561, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 6.092121443316898, "aff_pf": 0.02967708930373192, "aff_hs": 0.36239245037237805, "repeats_pf": {"runs": 3, "values": [0.2604, -0.0491, -0.1222], "mean": 0.0297, "spread": 0.3826}, "repeats_hs": {"runs": 3, "values": [0.3314, 0.5747, 0.1811], "mean": 0.3624, "spread": 0.3936}, "at": 1787443125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787442340, "scored_at": 1787443125, "alerts": [], "rank": 2773}, {"candidate_id": "ODC-365B15", "res_at": 1787655752, "skeleton": "KSQKUZCAHRWEKC", "hf_user": "Moonweave", "display_name": "M5AI-ALK-CAND-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 42.816, "axes": {"activity": 15.71, "binding": 12.58, "selectivity": 5.79, "admet": 2.91, "novelty": 2.76, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 6.89, "LE": 0.337, "potency_term": 0.629, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.461, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.355, "herg": 0.05, "dili": 0.961}}, "novelty": {"max_tanimoto": 0.562, "novelty": 0.438}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.542583762411484, "aff_pf": -0.8863915006319681, "aff_hs": 0.03485168516635895, "repeats_pf": {"runs": 3, "values": [-0.9135, -0.905, -0.8407], "mean": -0.8864, "spread": 0.0727}, "repeats_hs": {"runs": 3, "values": [0.0462, -0.0074, 0.0658], "mean": 0.0349, "spread": 0.0733}, "at": 1787655752}, "tier": 1, "relegate_reason": [], "submitted_at": 1787653836, "scored_at": 1787655752, "alerts": [], "rank": 2774}, {"candidate_id": "ODC-D8793E", "res_at": 1787053871, "skeleton": "MBSNIRIHCZVZAW", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 42.811, "axes": {"activity": 15.97, "binding": 12.92, "selectivity": 3.68, "admet": 3.6, "novelty": 3.84, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.558, "fraction": 0.532}, "binding": {"pIC50": 6.94, "LE": 0.366, "potency_term": 0.646, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.623, "herg": 0.07, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.55798816220294, "aff_pf": -0.9383485317230225, "aff_hs": -0.3686213394006093, "repeats_pf": {"runs": 3, "values": [-0.9162, -1.0131, -0.8858], "mean": -0.9383, "spread": 0.1273}, "repeats_hs": {"runs": 3, "values": [-0.1484, -0.4847, -0.4727], "mean": -0.3686, "spread": 0.3363}, "at": 1787053871}, "tier": 1, "relegate_reason": [], "submitted_at": 1787053610, "scored_at": 1787053871, "alerts": [], "rank": 2775}, {"candidate_id": "ODC-B27B4A", "res_at": 1786985681, "skeleton": "GIUGVYNXZPDYJP", "hf_user": "1Dmeds", "display_name": "ODC26-R7-11", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.808, "axes": {"activity": 10.49, "binding": 13.61, "selectivity": 7.91, "admet": 4.63, "novelty": 2.95, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.35}, "binding": {"pIC50": 7.04, "LE": 0.459, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.6, "selectivity_term": 0.582, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.37, "herg": 0.248, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "2", "pAct_q10": 5.2291941710932415, "aff_pf": -1.040947675704956, "aff_hs": 0.12229674061139424, "repeats_pf": {"runs": 3, "values": [-0.9621, -1.0525, -1.1082], "mean": -1.0409, "spread": 0.1461}, "repeats_hs": {"runs": 3, "values": [0.1907, 0.2784, -0.1022], "mean": 0.1223, "spread": 0.3807}, "at": 1786985681}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980329, "scored_at": 1786985681, "alerts": [], "rank": 2776}, {"candidate_id": "ODC-B50DD9", "res_at": 1787185599, "skeleton": "VTTUYQRDTVUTLP", "hf_user": "Ku-ku", "display_name": "L2_ethynyl_SCHF2_FBiPh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.807, "axes": {"activity": 21.92, "binding": 6.37, "selectivity": 3.79, "admet": 2.98, "novelty": 4.48, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.915, "fraction": 0.731}, "binding": {"pIC50": 6.01, "LE": 0.284, "potency_term": 0.337, "efficiency_cap": 0.946}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.419, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.885, "ld50-zhu": 0.465, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.915074394368272, "aff_pf": -0.010025968154271444, "aff_hs": 1.1171513001124065, "repeats_pf": {"runs": 3, "values": [0.0621, -0.1905, 0.0983], "mean": -0.01, "spread": 0.2889}, "repeats_hs": {"runs": 3, "values": [1.1094, 1.1434, 1.0986], "mean": 1.1172, "spread": 0.0448}, "at": 1787185599}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184061, "scored_at": 1787185599, "alerts": [], "rank": 2777}, {"candidate_id": "ODC-0E2308", "res_at": 1787086497, "skeleton": "IHIANBCGTIHHHV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 42.804, "axes": {"activity": 13.95, "binding": 12.4, "selectivity": 6.25, "admet": 3.73, "novelty": 3.76, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 6.86, "LE": 0.392, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.96, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.296, "ld50-zhu": 0.424, "herg": 0.298, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.437029514058093, "aff_pf": -0.8603125214576721, "aff_hs": 0.14755966265996298, "repeats_pf": {"runs": 3, "values": [-0.923, -0.8045, -0.8534], "mean": -0.8603, "spread": 0.1186}, "repeats_hs": {"runs": 3, "values": [0.0476, 0.0549, 0.3401], "mean": 0.1476, "spread": 0.2925}, "at": 1787086497}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074225, "scored_at": 1787086497, "alerts": [], "rank": 2778}, {"candidate_id": "ODC-DC974F", "res_at": 1787498714, "skeleton": "QXFZWBVQNAVAQM", "hf_user": "takutoyo", "display_name": "PfD15-30", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········Cl)n1", "total": 42.784, "axes": {"activity": 21.94, "binding": 9.22, "selectivity": 1.6, "admet": 3.68, "novelty": 3.3, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.916, "fraction": 0.731}, "binding": {"pIC50": 6.38, "LE": 0.302, "potency_term": 0.461, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.173, "target_engagement": 0.461}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.631, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.419, "herg": 0.157, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.916401951504886, "aff_pf": -0.3830880622069041, "aff_hs": -0.0361965149641037, "repeats_pf": {"runs": 3, "values": [-0.3644, -0.2515, -0.5333], "mean": -0.3831, "spread": 0.2818}, "repeats_hs": {"runs": 3, "values": [-0.1916, 0.3337, -0.2507], "mean": -0.0362, "spread": 0.5845}, "at": 1787498714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491833, "scored_at": 1787498714, "alerts": [], "rank": 2779}, {"candidate_id": "ODC-9F3DE9", "res_at": 1787730249, "skeleton": "BEOAHUOZWFRLLF", "hf_user": "Bio-JS", "display_name": "B 팔 페닐 아자 (피리딘)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.769, "axes": {"activity": 17.59, "binding": 11.57, "selectivity": 4.96, "admet": 2.36, "novelty": 4.08, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 7.01, "LE": 0.259, "potency_term": 0.669, "efficiency_cap": 0.865}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.257, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.655143485168096, "aff_pf": -1.0069395303726196, "aff_hs": -0.26561180253823596, "repeats_pf": {"runs": 3, "values": [-0.9669, -0.9186, -1.1353], "mean": -1.0069, "spread": 0.2167}, "repeats_hs": {"runs": 3, "values": [-0.4031, -0.0414, -0.3523], "mean": -0.2656, "spread": 0.3616}, "at": 1787730249}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726442, "scored_at": 1787730249, "alerts": [], "rank": 2780}, {"candidate_id": "ODC-7EDE31", "res_at": 1786969757, "skeleton": "YLBFNNSEYFTOQW", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 42.766, "axes": {"activity": 16.13, "binding": 11.12, "selectivity": 5.67, "admet": 4.52, "novelty": 2.73, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 6.67, "LE": 0.397, "potency_term": 0.556, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.51, "target_engagement": 0.556}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.506, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.468, "herg": 0.832, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.568037101502, "aff_pf": -0.6676780382792155, "aff_hs": 0.35185646017392475, "repeats_pf": {"runs": 3, "values": [-0.6045, -0.7112, -0.6874], "mean": -0.6677, "spread": 0.1067}, "repeats_hs": {"runs": 3, "values": [0.3636, 0.3098, 0.3822], "mean": 0.3519, "spread": 0.0724}, "at": 1786969757}, "tier": 1, "relegate_reason": [], "submitted_at": 1786969002, "scored_at": 1786969757, "alerts": [], "rank": 2781}, {"candidate_id": "ODC-0CE6C4", "res_at": 1789899817, "skeleton": "XAUPHRVOAVNCLM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.761, "axes": {"activity": 17.8, "binding": 11.26, "selectivity": 3.22, "admet": 4.71, "novelty": 3.21, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.668, "fraction": 0.593}, "binding": {"pIC50": 6.69, "LE": 0.367, "potency_term": 0.563, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.793, "ld50-zhu": 0.454, "herg": 0.242, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.66817541620987, "aff_pf": -0.6883938908576965, "aff_hs": -0.11709000170230865, "repeats_pf": {"runs": 3, "values": [-0.7312, -0.7047, -0.6293], "mean": -0.6884, "spread": 0.102}, "repeats_hs": {"runs": 3, "values": [-0.1514, -0.177, -0.0229], "mean": -0.1171, "spread": 0.1542}, "at": 1789899817}, "tier": 1, "alerts": [], "total_sd": 0.406, "total_ci95": [42.0, 43.542], "relegate_reason": [], "submitted_at": 1789758169, "scored_at": 1789899817, "rank": 2782}, {"candidate_id": "ODC-98C136", "res_at": 1789912237, "skeleton": "SJHYMCSHMMDVCE", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 42.76, "axes": {"activity": 19.93, "binding": 6.05, "selectivity": 5.38, "admet": 4.46, "novelty": 4.07, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.796, "fraction": 0.664}, "binding": {"pIC50": 6.16, "LE": 0.234, "potency_term": 0.387, "efficiency_cap": 0.782}, "selectivity": {"fold": 24.4, "selectivity_term": 0.694, "target_engagement": 0.387}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.523, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.151, "cyp2c9-veith": 0.992, "cyp3a4-substrate-carbonmangels": 0.991, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.795904235548301, "aff_pf": -0.16175571580727896, "aff_hs": 1.2262688477834065, "repeats_pf": {"runs": 3, "values": [-0.201, -0.0045, -0.2798], "mean": -0.1618, "spread": 0.2753}, "repeats_hs": {"runs": 3, "values": [1.1856, 1.2483, 1.2449], "mean": 1.2263, "spread": 0.0628}, "at": 1789912237}, "tier": 1, "alerts": [], "total_sd": 1.001, "total_ci95": [40.622, 44.235], "relegate_reason": [], "submitted_at": 1789837484, "scored_at": 1789912237, "rank": 2783}, {"candidate_id": "ODC-243619", "res_at": 1788598525, "skeleton": "NYYOSLBOPKQAGE", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 42.754, "axes": {"activity": 15.69, "binding": 12.13, "selectivity": 5.09, "admet": 3.3, "novelty": 3.91, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.541, "fraction": 0.523}, "binding": {"pIC50": 6.82, "LE": 0.334, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.568, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.827, "ld50-zhu": 0.903, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.541496666392055, "aff_pf": -0.8195935090382894, "aff_hs": 0.01984080175558726, "repeats_pf": {"runs": 3, "values": [-0.9345, -0.7384, -0.7859], "mean": -0.8196, "spread": 0.1962}, "repeats_hs": {"runs": 3, "values": [-0.0434, -0.0794, 0.1823], "mean": 0.0198, "spread": 0.2617}, "at": 1788598525}, "tier": 1, "alerts": [], "total_sd": 1.062, "total_ci95": [40.89, 44.685], "relegate_reason": [], "submitted_at": 1788583655, "scored_at": 1788598525, "rank": 2784}, {"candidate_id": "ODC-FA3CA5", "res_at": 1787266274, "skeleton": "TZVNZVNXRBKIFC", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.748, "axes": {"activity": 20.44, "binding": 8.0, "selectivity": 4.01, "admet": 2.9, "novelty": 4.4, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.827, "fraction": 0.681}, "binding": {"pIC50": 6.43, "LE": 0.252, "potency_term": 0.477, "efficiency_cap": 0.839}, "selectivity": {"fold": 6.9, "selectivity_term": 0.421, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.12, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.826644793107496, "aff_pf": -0.43076128760973614, "aff_hs": 0.41084955135981244, "repeats_pf": {"runs": 3, "values": [-0.5516, -0.2984, -0.4422], "mean": -0.4308, "spread": 0.2531}, "repeats_hs": {"runs": 3, "values": [0.3134, 0.5838, 0.3354], "mean": 0.4108, "spread": 0.2704}, "at": 1787266274}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264812, "scored_at": 1787266274, "alerts": [], "rank": 2785}, {"candidate_id": "ODC-0372D9", "res_at": 1786952554, "skeleton": "ZHTDCGVEKUFKDS", "hf_user": "takutoyo", "display_name": "PfD2-B4", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 42.744, "axes": {"activity": 20.76, "binding": 8.19, "selectivity": 3.39, "admet": 3.42, "novelty": 4.08, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.846, "fraction": 0.692}, "binding": {"pIC50": 6.39, "LE": 0.265, "potency_term": 0.463, "efficiency_cap": 0.884}, "selectivity": {"fold": 5.4, "selectivity_term": 0.366, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.079, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.27, "cyp3a4-substrate-carbonmangels": 0.603, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.8456980392371225, "aff_pf": -0.3896324038505554, "aff_hs": 0.3431938588619232, "repeats_pf": {"runs": 3, "values": [-0.3805, -0.3642, -0.4242], "mean": -0.3896, "spread": 0.06}, "repeats_hs": {"runs": 3, "values": [0.3115, 0.3457, 0.3723], "mean": 0.3432, "spread": 0.0608}, "at": 1786952554}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950221, "scored_at": 1786952554, "alerts": [], "rank": 2786}, {"candidate_id": "ODC-76CA15", "res_at": 1786904693, "skeleton": "OSBVOHKEJXLMEE", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 42.738, "axes": {"activity": 10.21, "binding": 14.05, "selectivity": 6.61, "admet": 4.73, "novelty": 4.21, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.212, "fraction": 0.34}, "binding": {"pIC50": 7.11, "LE": 0.389, "potency_term": 0.702, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.702}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.69, "herg": 0.112, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.212425481386515, "aff_pf": -1.10734224319458, "aff_hs": -0.16675486663977304, "repeats_pf": {"runs": 3, "values": [-1.1239, -1.0915, -1.1067], "mean": -1.1073, "spread": 0.0324}, "repeats_hs": {"runs": 3, "values": [-0.12, -0.1754, -0.2049], "mean": -0.1668, "spread": 0.085}, "at": 1786904693}, "tier": 1, "relegate_reason": [], "submitted_at": 1786900943, "scored_at": 1786904693, "alerts": [], "rank": 2787}, {"candidate_id": "ODC-AA4665", "res_at": 1786949615, "skeleton": "JLOCUGVHPGDAPS", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········C1CC1", "total": 42.738, "axes": {"activity": 15.91, "binding": 13.7, "selectivity": 6.9, "admet": 3.91, "novelty": 0.0, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.53}, "binding": {"pIC50": 7.05, "LE": 0.322, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.52, "cyp2c9-veith": 0.204, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.118}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 5.5548666098188635, "aff_pf": -1.0544915795326233, "aff_hs": -0.04664794603983561, "repeats_pf": {"runs": 3, "values": [-1.1123, -1.0578, -0.9934], "mean": -1.0545, "spread": 0.1188}, "repeats_hs": {"runs": 3, "values": [0.0095, -0.0619, -0.0875], "mean": -0.0466, "spread": 0.097}, "at": 1786949615}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937516, "scored_at": 1786949615, "alerts": [], "rank": 2788}, {"candidate_id": "ODC-BF6758", "res_at": 1786860291, "skeleton": "RFLKNKXKLVKCAE", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.738, "axes": {"activity": 15.84, "binding": 14.1, "selectivity": 4.91, "admet": 4.96, "novelty": 0.0, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.55, "fraction": 0.528}, "binding": {"pIC50": 7.11, "LE": 0.375, "potency_term": 0.705, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.705}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.507, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.465, "herg": 0.05, "dili": 0.399}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.550193836211497, "aff_pf": -1.1143689155578613, "aff_hs": -0.4181063274542491, "repeats_pf": {"runs": 3, "values": [-1.0081, -1.1062, -1.2288], "mean": -1.1144, "spread": 0.2206}, "repeats_hs": {"runs": 3, "values": [-0.3825, -0.4956, -0.3762], "mean": -0.4181, "spread": 0.1195}, "at": 1786860291}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850041, "scored_at": 1786860291, "alerts": [], "rank": 2789}, {"candidate_id": "ODC-800B39", "res_at": 1786946423, "skeleton": "ZTTRQWHULOJRRW", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)CS··········)n2n1", "total": 42.724, "axes": {"activity": 17.36, "binding": 12.39, "selectivity": 4.03, "admet": 2.81, "novelty": 3.61, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.641, "fraction": 0.579}, "binding": {"pIC50": 6.86, "LE": 0.348, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.513, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.63, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.64130615294821, "aff_pf": -0.8586249152819315, "aff_hs": -0.2081763744354248, "repeats_pf": {"runs": 3, "values": [-0.9563, -0.872, -0.7476], "mean": -0.8586, "spread": 0.2088}, "repeats_hs": {"runs": 3, "values": [-0.0877, -0.2278, -0.3091], "mean": -0.2082, "spread": 0.2214}, "at": 1786946423}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934297, "scored_at": 1786946423, "alerts": [], "rank": 2790}, {"candidate_id": "ODC-0A21D6", "res_at": 1788585390, "skeleton": "DBCSFKNSWZXERA", "hf_user": "Bio-JS", "display_name": "0905-S1-25 Et/CN/CF3/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 42.72, "axes": {"activity": 17.0, "binding": 10.01, "selectivity": 5.91, "admet": 4.28, "novelty": 3.02, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.62, "fraction": 0.567}, "binding": {"pIC50": 6.5, "LE": 0.356, "potency_term": 0.5, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.2, "selectivity_term": 0.59, "target_engagement": 0.5}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.542, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.527, "herg": 0.371, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.6200044239772495, "aff_pf": -0.5013605256875356, "aff_hs": 0.6793915828069051, "repeats_pf": {"runs": 3, "values": [-0.5571, -0.5385, -0.4084], "mean": -0.5014, "spread": 0.1487}, "repeats_hs": {"runs": 3, "values": [0.666, 0.7271, 0.6451], "mean": 0.6794, "spread": 0.082}, "at": 1788585390}, "tier": 1, "alerts": [], "total_sd": 0.638, "total_ci95": [41.235, 43.642], "relegate_reason": [], "submitted_at": 1788560436, "scored_at": 1788585390, "rank": 2791}, {"candidate_id": "ODC-DFD3F0", "res_at": 1786808820, "skeleton": "BYECEGURHORSSU", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.712, "axes": {"activity": 15.01, "binding": 13.17, "selectivity": 5.96, "admet": 3.85, "novelty": 1.74, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.501, "fraction": 0.5}, "binding": {"pIC50": 6.98, "LE": 0.368, "potency_term": 0.658, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.658}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.445, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.736, "novelty": 0.264}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.5007763251051625, "aff_pf": -0.975087563196818, "aff_hs": -0.07012789448102315, "repeats_pf": {"runs": 3, "values": [-0.9513, -0.8963, -1.0776], "mean": -0.9751, "spread": 0.1813}, "repeats_hs": {"runs": 3, "values": [-0.1165, -0.0424, -0.0514], "mean": -0.0701, "spread": 0.0741}, "at": 1786808820}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789365, "scored_at": 1786808820, "alerts": [], "rank": 2792}, {"candidate_id": "ODC-61ABBF", "res_at": 1789106680, "skeleton": "FZVPBNADWGCPQO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.711, "axes": {"activity": 11.95, "binding": 13.54, "selectivity": 6.28, "admet": 4.76, "novelty": 3.49, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.398}, "binding": {"pIC50": 7.03, "LE": 0.37, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.458, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.536, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.317150189187759, "aff_pf": -1.0303999582926433, "aff_hs": -0.10234374304612477, "repeats_pf": {"runs": 3, "values": [-1.0217, -1.0477, -1.0218], "mean": -1.0304, "spread": 0.0261}, "repeats_hs": {"runs": 3, "values": [-0.2042, 0.137, -0.2399], "mean": -0.1023, "spread": 0.3769}, "at": 1789106680}, "tier": 1, "alerts": [], "total_sd": 0.737, "total_ci95": [41.675, 44.527], "relegate_reason": [], "submitted_at": 1789093653, "scored_at": 1789106680, "rank": 2793}, {"candidate_id": "ODC-FF8678", "res_at": 1787871838, "skeleton": "NXOQYAHCRXYQMY", "hf_user": "Moonweave", "display_name": "M5AI-F12-AKO-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········)cc1F", "total": 42.703, "axes": {"activity": 14.83, "binding": 12.88, "selectivity": 5.67, "admet": 2.35, "novelty": 4.14, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.494}, "binding": {"pIC50": 6.93, "LE": 0.317, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.377}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.489688999829027, "aff_pf": -0.9317544102668762, "aff_hs": -0.05107186237970988, "repeats_pf": {"runs": 3, "values": [-0.9245, -0.9348, -0.936], "mean": -0.9318, "spread": 0.0115}, "repeats_hs": {"runs": 3, "values": [0.0156, 0.0629, -0.2318], "mean": -0.0511, "spread": 0.2947}, "at": 1787842767}, "tier": 1, "relegate_reason": [], "submitted_at": 1787790996, "scored_at": 1787842767, "alerts": [], "rank": 2794}, {"candidate_id": "ODC-B3DCAA", "res_at": 1788571032, "skeleton": "DTKAIMXFRSAVHQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1D06", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 42.703, "axes": {"activity": 13.46, "binding": 13.22, "selectivity": 4.6, "admet": 4.44, "novelty": 4.7, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.408, "fraction": 0.449}, "binding": {"pIC50": 7.08, "LE": 0.285, "potency_term": 0.695, "efficiency_cap": 0.952}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.609, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.75, "herg": 0.05, "dili": 0.249}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "0", "pAct_q10": 5.407776991366015, "aff_pf": -1.0843554337819417, "aff_hs": -0.4217815299828847, "repeats_pf": {"runs": 3, "values": [-1.111, -1.0248, -1.1173], "mean": -1.0844, "spread": 0.0925}, "repeats_hs": {"runs": 3, "values": [-0.5128, -0.2566, -0.4959], "mean": -0.4218, "spread": 0.2562}, "at": 1788571032}, "tier": 1, "alerts": [], "total_sd": 0.751, "total_ci95": [41.264, 44.077], "relegate_reason": [], "submitted_at": 1788555366, "scored_at": 1788571032, "rank": 2795}, {"candidate_id": "ODC-415C0D", "res_at": 1786957705, "skeleton": "IIYXFICBUJDPKK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.686, "axes": {"activity": 14.84, "binding": 12.9, "selectivity": 6.23, "admet": 3.47, "novelty": 2.15, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.495}, "binding": {"pIC50": 6.93, "LE": 0.38, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.931, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.490100281715318, "aff_pf": -0.9348715345064799, "aff_hs": 0.031084641814231873, "repeats_pf": {"runs": 3, "values": [-0.8971, -0.9401, -0.9674], "mean": -0.9349, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [0.0583, -0.0249, 0.0598], "mean": 0.0311, "spread": 0.0847}, "at": 1786957705}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956416, "scored_at": 1786957705, "alerts": [], "rank": 2796}, {"candidate_id": "ODC-AD283F", "res_at": 1789101875, "skeleton": "MHTPJYXTKHOEQD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 42.68, "axes": {"activity": 13.52, "binding": 14.13, "selectivity": 4.66, "admet": 4.88, "novelty": 2.31, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.451}, "binding": {"pIC50": 7.12, "LE": 0.406, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.901, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.11, "ld50-zhu": 0.402, "herg": 0.624, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.41095669642071, "aff_pf": -1.1193545659383137, "aff_hs": -0.45959052443504333, "repeats_pf": {"runs": 3, "values": [-1.0781, -1.1905, -1.0895], "mean": -1.1194, "spread": 0.1123}, "repeats_hs": {"runs": 3, "values": [-0.3944, -0.6269, -0.3575], "mean": -0.4596, "spread": 0.2694}, "at": 1789101875}, "tier": 1, "alerts": [], "total_sd": 0.787, "total_ci95": [41.282, 44.111], "relegate_reason": [], "submitted_at": 1789093113, "scored_at": 1789101875, "rank": 2797}, {"candidate_id": "ODC-EC94AF", "res_at": 1787316571, "skeleton": "NMYWKROVGHGMNL", "hf_user": "takutoyo", "display_name": "PfD12-06", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.679, "axes": {"activity": 22.45, "binding": 8.26, "selectivity": 1.86, "admet": 2.63, "novelty": 5.08, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.947, "fraction": 0.748}, "binding": {"pIC50": 6.4, "LE": 0.266, "potency_term": 0.467, "efficiency_cap": 0.886}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.456, "ld50-zhu": 0.52, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.947042671046547, "aff_pf": -0.3995923002560933, "aff_hs": -0.0017989600698153179, "repeats_pf": {"runs": 3, "values": [-0.48, -0.1986, -0.5201], "mean": -0.3996, "spread": 0.3215}, "repeats_hs": {"runs": 3, "values": [0.0802, 0.071, -0.1566], "mean": -0.0018, "spread": 0.2367}, "at": 1787316571}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315706, "scored_at": 1787316571, "alerts": [], "rank": 2798}, {"candidate_id": "ODC-DF734D", "res_at": 1789183556, "skeleton": "RXCCQDYLILAGFK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.678, "axes": {"activity": 9.86, "binding": 14.75, "selectivity": 6.87, "admet": 4.44, "novelty": 3.86, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.192, "fraction": 0.329}, "binding": {"pIC50": 7.21, "LE": 0.366, "potency_term": 0.737, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.466, "target_engagement": 0.737}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.649, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.534, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.19179633137381, "aff_pf": -1.2123013337453206, "aff_hs": -0.2802298665046692, "repeats_pf": {"runs": 3, "values": [-1.2177, -1.2907, -1.1285], "mean": -1.2123, "spread": 0.1622}, "repeats_hs": {"runs": 3, "values": [-0.2595, -0.3234, -0.2578], "mean": -0.2802, "spread": 0.0656}, "at": 1789183556}, "tier": 1, "alerts": [], "total_sd": 0.842, "total_ci95": [40.995, 44.435], "relegate_reason": [], "submitted_at": 1789174347, "scored_at": 1789183556, "rank": 2799}, {"candidate_id": "ODC-E7CC24", "res_at": 1787042277, "skeleton": "HQQFXYNYZQCLAM", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 42.673, "axes": {"activity": 15.87, "binding": 13.03, "selectivity": 4.06, "admet": 3.35, "novelty": 3.57, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.552, "fraction": 0.529}, "binding": {"pIC50": 6.95, "LE": 0.381, "potency_term": 0.651, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.507, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.434, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.577, "herg": 0.082, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.552373190024189, "aff_pf": -0.9541693329811096, "aff_hs": -0.3304083396991094, "repeats_pf": {"runs": 3, "values": [-0.8025, -1.0489, -1.0112], "mean": -0.9542, "spread": 0.2464}, "repeats_hs": {"runs": 3, "values": [0.0783, -0.5275, -0.542], "mean": -0.3304, "spread": 0.6204}, "at": 1787042277}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038312, "scored_at": 1787042277, "alerts": [], "rank": 2800}, {"candidate_id": "ODC-1D3645", "res_at": 1787524979, "skeleton": "TZPXAEMMMHGKAH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 42.665, "axes": {"activity": 20.89, "binding": 6.38, "selectivity": 2.07, "admet": 5.81, "novelty": 4.71, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.853, "fraction": 0.696}, "binding": {"pIC50": 5.96, "LE": 0.34, "potency_term": 0.319, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.319}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.714, "cyp3a4-substrate-carbonmangels": 0.993, "ld50-zhu": 0.256, "herg": 0.792, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.853377254472704, "aff_pf": 0.04237066209316254, "aff_hs": 0.689405600229899, "repeats_pf": {"runs": 3, "values": [0.0553, 0.0987, -0.0268], "mean": 0.0424, "spread": 0.1255}, "repeats_hs": {"runs": 3, "values": [0.679, 0.5319, 0.8573], "mean": 0.6894, "spread": 0.3254}, "at": 1787524979}, "tier": 1, "relegate_reason": [], "submitted_at": 1787520650, "scored_at": 1787524979, "alerts": [], "rank": 2801}, {"candidate_id": "ODC-E62570", "res_at": 1788237651, "skeleton": "XDWPHIQUMKBFGY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.664, "axes": {"activity": 17.57, "binding": 9.97, "selectivity": 5.3, "admet": 3.2, "novelty": 4.07, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.654, "fraction": 0.586}, "binding": {"pIC50": 6.5, "LE": 0.342, "potency_term": 0.499, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.499}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.898, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.654199881598357, "aff_pf": -0.4961722493171692, "aff_hs": 0.5656352043151855, "repeats_pf": {"runs": 3, "values": [-0.5249, -0.4798, -0.4838], "mean": -0.4962, "spread": 0.0452}, "repeats_hs": {"runs": 3, "values": [0.4404, 0.8056, 0.4508], "mean": 0.5656, "spread": 0.3652}, "at": 1788237651}, "tier": 1, "alerts": [], "total_sd": 0.54, "total_ci95": [41.835, 43.882], "relegate_reason": [], "submitted_at": 1788223274, "scored_at": 1788237651, "rank": 2802}, {"candidate_id": "ODC-F29D36", "res_at": 1789902337, "skeleton": "PCGRDXSEPBYAGE", "hf_user": "Bio-JS", "display_name": "0918-S1-div11", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 42.642, "axes": {"activity": 18.3, "binding": 9.53, "selectivity": 5.22, "admet": 3.23, "novelty": 3.72, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.698, "fraction": 0.61}, "binding": {"pIC50": 6.43, "LE": 0.367, "potency_term": 0.476, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.5, "selectivity_term": 0.548, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.911, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.475, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.698158702527749, "aff_pf": -0.4288682242234548, "aff_hs": 0.6670264601707458, "repeats_pf": {"runs": 3, "values": [-0.4056, -0.4624, -0.4186], "mean": -0.4289, "spread": 0.0569}, "repeats_hs": {"runs": 3, "values": [0.5795, 0.6485, 0.7731], "mean": 0.667, "spread": 0.1937}, "at": 1789902337}, "tier": 1, "alerts": [], "total_sd": 0.289, "total_ci95": [42.163, 43.264], "relegate_reason": [], "submitted_at": 1789687036, "scored_at": 1789902337, "rank": 2803}, {"candidate_id": "ODC-B5B52F", "res_at": 1787031322, "skeleton": "QJXUIVKQERLSPJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 42.634, "axes": {"activity": 15.66, "binding": 12.15, "selectivity": 4.9, "admet": 4.13, "novelty": 3.34, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 6.82, "LE": 0.374, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.399, "herg": 0.413, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.539364658969064, "aff_pf": -0.8231697877248129, "aff_hs": -0.01745566229025523, "repeats_pf": {"runs": 3, "values": [-0.8357, -0.7311, -0.9026], "mean": -0.8232, "spread": 0.1715}, "repeats_hs": {"runs": 3, "values": [0.0153, -0.1577, 0.09], "mean": -0.0175, "spread": 0.2477}, "at": 1787031322}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030265, "scored_at": 1787031322, "alerts": [], "rank": 2804}, {"candidate_id": "ODC-1D21B3", "res_at": 1788532659, "skeleton": "RPRIPHHJFXTARV", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 42.623, "axes": {"activity": 17.82, "binding": 11.25, "selectivity": 4.16, "admet": 3.36, "novelty": 3.58, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.669, "fraction": 0.594}, "binding": {"pIC50": 6.69, "LE": 0.339, "potency_term": 0.562, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.562}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.973, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.627, "ld50-zhu": 0.493, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.669026923791479, "aff_pf": -0.6868758201599121, "aff_hs": 0.05368179455399513, "repeats_pf": {"runs": 3, "values": [-0.6341, -0.7504, -0.6762], "mean": -0.6869, "spread": 0.1163}, "repeats_hs": {"runs": 3, "values": [0.0027, 0.1249, 0.0335], "mean": 0.0537, "spread": 0.1222}, "at": 1788532659}, "tier": 1, "alerts": [], "total_sd": 0.453, "total_ci95": [41.833, 43.61], "relegate_reason": [], "submitted_at": 1788489601, "scored_at": 1788532659, "rank": 2805}, {"candidate_id": "ODC-DAEB2D", "res_at": 1787040938, "skeleton": "LQDHHBCHNLQXND", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Cl", "total": 42.615, "axes": {"activity": 11.91, "binding": 12.75, "selectivity": 6.93, "admet": 4.91, "novelty": 3.54, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.91, "LE": 0.43, "potency_term": 0.637, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.544, "target_engagement": 0.637}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.834, "ld50-zhu": 0.448, "herg": 0.555, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.314729062178471, "aff_pf": -0.911826511224111, "aff_hs": 0.1754655788342158, "repeats_pf": {"runs": 3, "values": [-0.8658, -0.8856, -0.9841], "mean": -0.9118, "spread": 0.1183}, "repeats_hs": {"runs": 3, "values": [0.1908, 0.2008, 0.1348], "mean": 0.1755, "spread": 0.066}, "at": 1787040938}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038279, "scored_at": 1787040938, "alerts": [], "rank": 2806}, {"candidate_id": "ODC-967FE7", "res_at": 1786772338, "skeleton": "HOSINBKMUCOIFJ", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC-A5-BromoMethoxy", "model_name": "OpenCrab-ALEXAI candidate panel v0.1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 42.6, "axes": {"activity": 12.01, "binding": 13.6, "selectivity": 6.83, "admet": 4.43, "novelty": 2.55, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 7.04, "LE": 0.402, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.502, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.174, "cyp3a4-substrate-carbonmangels": 0.153, "ld50-zhu": 0.376, "herg": 0.305, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.320829085860234, "aff_pf": -1.039515733718872, "aff_hs": -0.03480890393257141, "at": 1786772338}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771362, "scored_at": 1786772338, "alerts": [], "rank": 2807}, {"candidate_id": "ODC-CAA765", "res_at": 1787408947, "skeleton": "MUCNBTJTFVRHRH", "hf_user": "takutoyo", "display_name": "PfD13-12", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.599, "axes": {"activity": 24.91, "binding": 6.3, "selectivity": 0.0, "admet": 2.91, "novelty": 5.83, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 6.095, "fraction": 0.83}, "binding": {"pIC50": 6.17, "LE": 0.242, "potency_term": 0.391, "efficiency_cap": 0.805}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.391}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.198, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.823, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 6.094814601468931, "aff_pf": -0.1731494019428889, "aff_hs": -0.4797059893608093, "repeats_pf": {"runs": 3, "values": [0.0842, -0.2671, -0.3365], "mean": -0.1731, "spread": 0.4207}, "repeats_hs": {"runs": 3, "values": [-0.3961, -0.4172, -0.6259], "mean": -0.4797, "spread": 0.2298}, "at": 1787408947}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406757, "scored_at": 1787408947, "alerts": [], "rank": 2808}, {"candidate_id": "ODC-C10BF3", "res_at": 1788156761, "skeleton": "YPUNMBOCUFDWCY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 42.599, "axes": {"activity": 13.94, "binding": 13.59, "selectivity": 3.57, "admet": 5.28, "novelty": 3.87, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.465}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.497, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.674, "herg": 0.35, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "0", "pAct_q10": 5.4363243829147, "aff_pf": -1.039169728755951, "aff_hs": -0.5136983791987101, "repeats_pf": {"runs": 3, "values": [-1.0455, -1.1018, -0.9702], "mean": -1.0392, "spread": 0.1316}, "repeats_hs": {"runs": 3, "values": [-0.4185, -0.6238, -0.4988], "mean": -0.5137, "spread": 0.2053}, "at": 1788156761}, "tier": 1, "alerts": [], "total_sd": 0.72, "total_ci95": [41.338, 44.106], "relegate_reason": [], "submitted_at": 1788145075, "scored_at": 1788156761, "rank": 2809}, {"candidate_id": "ODC-C417DA", "res_at": 1789539577, "skeleton": "QEZUHDMPKGPXLX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········cc1Cl", "total": 42.587, "axes": {"activity": 12.36, "binding": 13.28, "selectivity": 6.69, "admet": 3.85, "novelty": 3.09, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.412}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.106, "cyp3a4-substrate-carbonmangels": 0.325, "ld50-zhu": 0.367, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.341355757893834, "aff_pf": -0.9915539026260376, "aff_hs": 0.01627303163210551, "repeats_pf": {"runs": 3, "values": [-0.9259, -0.9771, -1.0717], "mean": -0.9916, "spread": 0.1458}, "repeats_hs": {"runs": 3, "values": [0.1269, 0.2464, -0.3245], "mean": 0.0163, "spread": 0.5709}, "at": 1789539577}, "tier": 1, "alerts": [], "total_sd": 1.216, "total_ci95": [40.325, 44.679], "relegate_reason": [], "submitted_at": 1789525231, "scored_at": 1789539577, "rank": 2810}, {"candidate_id": "ODC-42DCDD", "res_at": 1786802540, "skeleton": "JEEOGRYTTNEULC", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.581, "axes": {"activity": 10.42, "binding": 13.98, "selectivity": 10.37, "admet": 4.69, "novelty": 0.0, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 7.1, "LE": 0.36, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.5, "selectivity_term": 0.742, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.581, "cyp3a4-substrate-carbonmangels": 0.108, "ld50-zhu": 0.52, "herg": 0.378, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.225138978973138, "aff_pf": -1.0967663923899333, "aff_hs": 0.3874620298544566, "repeats_pf": {"runs": 3, "values": [-1.0638, -1.1377, -1.0888], "mean": -1.0968, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [0.3776, 0.3906, 0.3942], "mean": 0.3875, "spread": 0.0166}, "at": 1786802540}, "tier": 1, "relegate_reason": [], "submitted_at": 1786786643, "scored_at": 1786802540, "alerts": [], "rank": 2811}, {"candidate_id": "ODC-E21F4D", "res_at": 1786776000, "skeleton": "RERSGNWVJVIZKP", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.58, "axes": {"activity": 8.75, "binding": 15.58, "selectivity": 6.2, "admet": 5.97, "novelty": 2.87, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.125, "fraction": 0.292}, "binding": {"pIC50": 7.34, "LE": 0.402, "potency_term": 0.779, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.398, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.935, "cyp3a4-substrate-carbonmangels": 0.245, "ld50-zhu": 0.335, "herg": 0.37, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.1252792952664326, "aff_pf": -1.3375767469406128, "aff_hs": -0.5416038632392883, "at": 1786776000}, "tier": 1, "relegate_reason": [], "submitted_at": 1786775786, "scored_at": 1786776000, "alerts": [], "rank": 2812}, {"candidate_id": "ODC-A38CB3", "res_at": 1786858290, "skeleton": "FDCIWXDLTGUSEY", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.556, "axes": {"activity": 14.04, "binding": 12.59, "selectivity": 6.51, "admet": 4.15, "novelty": 2.37, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 6.89, "LE": 0.429, "potency_term": 0.629, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.248, "cyp3a4-substrate-carbonmangels": 0.079, "ld50-zhu": 0.379, "herg": 0.476, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.442456241599126, "aff_pf": -0.8878330190976461, "aff_hs": 0.1464649240175883, "repeats_pf": {"runs": 3, "values": [-0.8499, -0.9145, -0.8991], "mean": -0.8878, "spread": 0.0646}, "repeats_hs": {"runs": 3, "values": [0.1566, 0.1746, 0.1082], "mean": 0.1465, "spread": 0.0664}, "at": 1786858290}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849122, "scored_at": 1786858290, "alerts": [], "rank": 2813}, {"candidate_id": "ODC-CBBFAA", "res_at": 1787040365, "skeleton": "MRKZBLJKDMBMGY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Cl", "total": 42.555, "axes": {"activity": 13.85, "binding": 12.54, "selectivity": 5.6, "admet": 4.26, "novelty": 3.82, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 6.88, "LE": 0.41, "potency_term": 0.627, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.783, "cyp2c9-veith": 0.418, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.525, "herg": 0.413, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.430787603524802, "aff_pf": -0.8803651332855225, "aff_hs": 0.012467358261346817, "repeats_pf": {"runs": 3, "values": [-0.8412, -0.8105, -0.9894], "mean": -0.8804, "spread": 0.1789}, "repeats_hs": {"runs": 3, "values": [0.0961, 0.0042, -0.0629], "mean": 0.0125, "spread": 0.159}, "at": 1787040365}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038266, "scored_at": 1787040365, "alerts": [], "rank": 2814}, {"candidate_id": "ODC-E3C5A7", "res_at": 1786897107, "skeleton": "HMMDVDAFBZDPFZ", "hf_user": "1Dmeds", "display_name": "ODC26-R4A-C6OMe", "model_name": "Claude Sonnet 4.6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········(F)c1", "total": 42.54, "axes": {"activity": 14.8, "binding": 11.16, "selectivity": 7.8, "admet": 2.85, "novelty": 3.37, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.488, "fraction": 0.493}, "binding": {"pIC50": 6.67, "LE": 0.398, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.465, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.488084531274163, "aff_pf": -0.6743074655532837, "aff_hs": 0.7233539819717407, "repeats_pf": {"runs": 3, "values": [-0.5886, -0.785, -0.6493], "mean": -0.6743, "spread": 0.1964}, "repeats_hs": {"runs": 3, "values": [0.6462, 0.7901, 0.7337], "mean": 0.7234, "spread": 0.1439}, "at": 1786897107}, "tier": 1, "relegate_reason": [], "submitted_at": 1786882029, "scored_at": 1786897107, "alerts": [], "rank": 2815}, {"candidate_id": "ODC-51DD83", "res_at": 1786803555, "skeleton": "BNKNLYPVPCTDEJ", "hf_user": "ipsych", "display_name": "TP-4SCF3-3Br", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.536, "axes": {"activity": 13.41, "binding": 14.83, "selectivity": 4.52, "admet": 3.86, "novelty": 2.86, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 7.22, "LE": 0.367, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.305, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.585, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.404474379807351, "aff_pf": -1.2241802215576172, "aff_hs": -0.6150452693303426, "repeats_pf": {"runs": 3, "values": [-1.2139, -1.1904, -1.2682], "mean": -1.2242, "spread": 0.0778}, "repeats_hs": {"runs": 3, "values": [-0.5758, -0.6069, -0.6624], "mean": -0.615, "spread": 0.0866}, "at": 1786803555}, "tier": 1, "relegate_reason": [], "submitted_at": 1786786703, "scored_at": 1786803555, "alerts": [], "rank": 2816}, {"candidate_id": "ODC-454C73", "res_at": 1787616474, "skeleton": "GIZGTMDKPYZOOP", "hf_user": "Moonweave", "display_name": "M5AI-SA-CAND-01", "model_name": "OpenAI Codex — selectivity/ADMET diagnostic", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 42.53, "axes": {"activity": 15.98, "binding": 13.06, "selectivity": 4.44, "admet": 3.13, "novelty": 2.65, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 5.559, "fraction": 0.533}, "binding": {"pIC50": 6.96, "LE": 0.367, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.367, "herg": 0.05, "dili": 0.661}}, "novelty": {"max_tanimoto": 0.594, "novelty": 0.406}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.558818807970596, "aff_pf": -0.9594292243321737, "aff_hs": -0.2792154550552368, "repeats_pf": {"runs": 3, "values": [-0.9572, -0.9787, -0.9424], "mean": -0.9594, "spread": 0.0363}, "repeats_hs": {"runs": 3, "values": [-0.2769, -0.2913, -0.2695], "mean": -0.2792, "spread": 0.0218}, "at": 1787616474}, "tier": 1, "relegate_reason": [], "submitted_at": 1787615590, "scored_at": 1787616474, "alerts": [], "rank": 2817}, {"candidate_id": "ODC-2BD1AB", "res_at": 1787517922, "skeleton": "WQVXKZYBUBBOEV", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-ZEN02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 42.529, "axes": {"activity": 18.95, "binding": 12.57, "selectivity": 1.3, "admet": 3.3, "novelty": 3.87, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.737, "fraction": 0.632}, "binding": {"pIC50": 6.89, "LE": 0.349, "potency_term": 0.628, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.758, "ld50-zhu": 0.746, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.737165733656829, "aff_pf": -0.8852404952049255, "aff_hs": -0.677672803401947, "repeats_pf": {"runs": 3, "values": [-0.8678, -0.8921, -0.8958], "mean": -0.8852, "spread": 0.0279}, "repeats_hs": {"runs": 3, "values": [-0.621, -0.7134, -0.6986], "mean": -0.6777, "spread": 0.0924}, "at": 1787517922}, "tier": 1, "relegate_reason": [], "submitted_at": 1787517545, "scored_at": 1787517922, "alerts": [], "rank": 2818}, {"candidate_id": "ODC-92E30B", "res_at": 1789178031, "skeleton": "UFHCIFDZSINJSK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.504, "axes": {"activity": 11.09, "binding": 16.61, "selectivity": 2.48, "admet": 5.06, "novelty": 3.74, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 7.49, "LE": 0.395, "potency_term": 0.831, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.336, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.446, "herg": 0.156, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.26514472163347, "aff_pf": -1.491803248723348, "aff_hs": -1.1932835578918457, "repeats_pf": {"runs": 3, "values": [-1.6113, -1.4576, -1.4065], "mean": -1.4918, "spread": 0.2048}, "repeats_hs": {"runs": 3, "values": [-1.1758, -1.2335, -1.1706], "mean": -1.1933, "spread": 0.0629}, "at": 1789178031}, "tier": 1, "alerts": [], "total_sd": 0.977, "total_ci95": [40.744, 44.111], "relegate_reason": [], "submitted_at": 1789174054, "scored_at": 1789178031, "rank": 2819}, {"candidate_id": "ODC-7DB113", "res_at": 1787440131, "skeleton": "DTXQTSRPZZNZHQ", "hf_user": "Ku-ku", "display_name": "Q4_NMe2_phenoxy", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 42.495, "axes": {"activity": 19.06, "binding": 9.35, "selectivity": 4.59, "admet": 2.37, "novelty": 4.21, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.743, "fraction": 0.635}, "binding": {"pIC50": 6.47, "LE": 0.286, "potency_term": 0.49, "efficiency_cap": 0.953}, "selectivity": {"fold": 8.6, "selectivity_term": 0.468, "target_engagement": 0.49}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.743327147321258, "aff_pf": -0.4713468750317891, "aff_hs": 0.4655481278896332, "repeats_pf": {"runs": 3, "values": [-0.5042, -0.3957, -0.5141], "mean": -0.4713, "spread": 0.1184}, "repeats_hs": {"runs": 3, "values": [0.2583, 0.5137, 0.6246], "mean": 0.4655, "spread": 0.3663}, "at": 1787440131}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438802, "scored_at": 1787440131, "alerts": [], "rank": 2820}, {"candidate_id": "ODC-85D05E", "res_at": 1787144386, "skeleton": "USYGFCHAZRRAHX", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 42.486, "axes": {"activity": 13.02, "binding": 12.54, "selectivity": 8.45, "admet": 4.64, "novelty": 1.6, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 6.88, "LE": 0.337, "potency_term": 0.627, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.3, "selectivity_term": 0.674, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.912, "ld50-zhu": 0.701, "herg": 0.075, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.745, "novelty": 0.255}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.3813567407195295, "aff_pf": -0.8808245460192362, "aff_hs": 0.4666563868522644, "repeats_pf": {"runs": 3, "values": [-0.8546, -0.918, -0.8699], "mean": -0.8808, "spread": 0.0635}, "repeats_hs": {"runs": 3, "values": [0.5588, 0.3778, 0.4634], "mean": 0.4667, "spread": 0.181}, "at": 1787144386}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142939, "scored_at": 1787144386, "alerts": [], "rank": 2821}, {"candidate_id": "ODC-708ED0", "res_at": 1787583225, "skeleton": "IEIJEWPBHBXZDP", "hf_user": "takutoyo", "display_name": "PfD17-06", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.469, "axes": {"activity": 22.78, "binding": 8.36, "selectivity": 1.64, "admet": 2.74, "novelty": 5.22, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.967, "fraction": 0.759}, "binding": {"pIC50": 6.55, "LE": 0.243, "potency_term": 0.517, "efficiency_cap": 0.808}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.517}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.863, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.41}}, "run": {"gpu": "3", "pAct_q10": 5.966792923477016, "aff_pf": -0.5504907170931498, "aff_hs": -0.23350314795970917, "repeats_pf": {"runs": 3, "values": [-0.5431, -0.5158, -0.5925], "mean": -0.5505, "spread": 0.0767}, "repeats_hs": {"runs": 3, "values": [-0.2229, -0.0752, -0.4024], "mean": -0.2335, "spread": 0.3272}, "at": 1787583225}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581708, "scored_at": 1787583225, "alerts": [], "rank": 2822}, {"candidate_id": "ODC-AA1389", "res_at": 1787252019, "skeleton": "GKPOPZJRYUVINL", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(C(F)F)nc2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 42.455, "axes": {"activity": 12.07, "binding": 13.84, "selectivity": 6.53, "admet": 5.24, "novelty": 1.83, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.324, "fraction": 0.402}, "binding": {"pIC50": 7.08, "LE": 0.404, "potency_term": 0.692, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.471, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.234, "ld50-zhu": 0.251, "herg": 0.38, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.736, "novelty": 0.264}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.324475643033036, "aff_pf": -1.0763223965962727, "aff_hs": -0.13333438336849213, "repeats_pf": {"runs": 3, "values": [-1.0616, -1.1254, -1.0419], "mean": -1.0763, "spread": 0.0836}, "repeats_hs": {"runs": 3, "values": [-0.094, -0.1569, -0.1491], "mean": -0.1333, "spread": 0.0629}, "at": 1787252019}, "tier": 1, "relegate_reason": [], "submitted_at": 1787243874, "scored_at": 1787252019, "alerts": [], "rank": 2823}, {"candidate_id": "ODC-596418", "res_at": 1788066075, "skeleton": "AOODXKSBIAOVGP", "hf_user": "Bio-JS", "display_name": "16 A6 오쏘 2-CN", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.44, "axes": {"activity": 16.73, "binding": 10.76, "selectivity": 6.38, "admet": 2.43, "novelty": 3.89, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 6.9, "LE": 0.255, "potency_term": 0.632, "efficiency_cap": 0.851}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.386, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.222}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.604005966586736, "aff_pf": -0.8964481949806213, "aff_hs": 0.11328914264837901, "repeats_pf": {"runs": 3, "values": [-0.994, -0.956, -0.7394], "mean": -0.8964, "spread": 0.2547}, "repeats_hs": {"runs": 3, "values": [0.0359, 0.1945, 0.1095], "mean": 0.1133, "spread": 0.1586}, "at": 1788066075}, "tier": 1, "alerts": [], "total_sd": 1.147, "total_ci95": [40.715, 44.429], "relegate_reason": [], "submitted_at": 1788017426, "scored_at": 1788066075, "rank": 2824}, {"candidate_id": "ODC-6D4B69", "res_at": 1786976438, "skeleton": "NIURXLDDYOIFLU", "hf_user": "takutoyo", "display_name": "PfD3-06", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 42.437, "axes": {"activity": 22.21, "binding": 6.19, "selectivity": 3.3, "admet": 3.89, "novelty": 3.86, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.933, "fraction": 0.74}, "binding": {"pIC50": 6.13, "LE": 0.247, "potency_term": 0.376, "efficiency_cap": 0.823}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.376}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 0.957, "pgp-broccatelli": 0.499, "cyp2c9-veith": 0.567, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.479, "novelty": 0.521}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.932652897449828, "aff_pf": -0.1277197947104772, "aff_hs": 0.7513404488563538, "repeats_pf": {"runs": 3, "values": [-0.142, -0.1893, -0.0519], "mean": -0.1277, "spread": 0.1374}, "repeats_hs": {"runs": 3, "values": [0.7197, 0.8286, 0.7057], "mean": 0.7513, "spread": 0.1229}, "at": 1786976438}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975707, "scored_at": 1786976438, "alerts": [], "rank": 2825}, {"candidate_id": "ODC-F4ABF1", "res_at": 1788593325, "skeleton": "NDXIJBUWZJGHKG", "hf_user": "Bio-JS", "display_name": "0905-S1-24 cPr/Me/Br/Cl", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.433, "axes": {"activity": 12.19, "binding": 12.46, "selectivity": 9.59, "admet": 3.56, "novelty": 1.62, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.406}, "binding": {"pIC50": 6.87, "LE": 0.428, "potency_term": 0.623, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.6, "selectivity_term": 0.77, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.194, "ld50-zhu": 0.449, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.74, "novelty": 0.26}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.331631630217909, "aff_pf": -0.8693556785583496, "aff_hs": 0.6696814298629761, "repeats_pf": {"runs": 3, "values": [-0.8469, -0.913, -0.8481], "mean": -0.8694, "spread": 0.0661}, "repeats_hs": {"runs": 3, "values": [0.6366, 0.6746, 0.6978], "mean": 0.6697, "spread": 0.0612}, "at": 1788593325}, "tier": 1, "alerts": [], "total_sd": 0.407, "total_ci95": [41.824, 43.417], "relegate_reason": [], "submitted_at": 1788560418, "scored_at": 1788593325, "rank": 2826}, {"candidate_id": "ODC-53EACD", "res_at": 1787895239, "skeleton": "SZKOXRLGHFHSMB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-22", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 42.424, "axes": {"activity": 14.35, "binding": 11.87, "selectivity": 6.87, "admet": 3.38, "novelty": 3.43, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.461, "fraction": 0.478}, "binding": {"pIC50": 6.78, "LE": 0.31, "potency_term": 0.594, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.3, "selectivity_term": 0.578, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.903, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.198, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.460829738864517, "aff_pf": -0.7811376849810282, "aff_hs": 0.37547340989112854, "repeats_pf": {"runs": 3, "values": [-0.8582, -0.7787, -0.7065], "mean": -0.7811, "spread": 0.1517}, "repeats_hs": {"runs": 3, "values": [0.563, 0.2067, 0.3566], "mean": 0.3755, "spread": 0.3563}, "at": 1787895239}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841430, "scored_at": 1787895239, "alerts": [], "rank": 2827}, {"candidate_id": "ODC-F71DA8", "res_at": 1788236852, "skeleton": "WZHZUFYGUUMZBB", "hf_user": "Bio-JS", "display_name": "0901-S1 팔 1,4-싸이아제판 S-옥사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.419, "axes": {"activity": 17.71, "binding": 11.76, "selectivity": 4.09, "admet": 2.75, "novelty": 4.06, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.59}, "binding": {"pIC50": 6.99, "LE": 0.266, "potency_term": 0.663, "efficiency_cap": 0.887}, "selectivity": {"fold": 4.1, "selectivity_term": 0.308, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.414, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.45, "herg": 0.05, "dili": 0.195}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.662805095780033, "aff_pf": -0.9899570544560751, "aff_hs": -0.3731492708126704, "repeats_pf": {"runs": 3, "values": [-1.1798, -0.6461, -1.144], "mean": -0.99, "spread": 0.5337}, "repeats_hs": {"runs": 3, "values": [-0.1433, -0.4077, -0.5685], "mean": -0.3731, "spread": 0.4252}, "at": 1788236852}, "tier": 1, "alerts": [], "total_sd": 2.633, "total_ci95": [37.314, 47.083], "relegate_reason": [], "submitted_at": 1788222349, "scored_at": 1788236852, "rank": 2828}, {"candidate_id": "ODC-2AA773", "res_at": 1787426553, "skeleton": "YUHIJCOQYDVUBX", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 42.4, "axes": {"activity": 19.42, "binding": 10.23, "selectivity": 2.86, "admet": 2.63, "novelty": 4.39, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.765, "fraction": 0.647}, "binding": {"pIC50": 6.86, "LE": 0.247, "potency_term": 0.62, "efficiency_cap": 0.825}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.108, "caco2-wang": 0.403, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.439, "ld50-zhu": 0.779, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.765432481595535, "aff_pf": -0.8611730933189392, "aff_hs": -0.4006875256697337, "repeats_pf": {"runs": 3, "values": [-0.7203, -0.8846, -0.9786], "mean": -0.8612, "spread": 0.2584}, "repeats_hs": {"runs": 3, "values": [0.3787, -0.2674, -1.3134], "mean": -0.4007, "spread": 1.6921}, "at": 1787426553}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425198, "scored_at": 1787426553, "alerts": [], "rank": 2829}, {"candidate_id": "ODC-8A680D", "res_at": 1789441708, "skeleton": "YVTXIEBPOGBVMC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 42.399, "axes": {"activity": 12.78, "binding": 12.82, "selectivity": 6.67, "admet": 3.75, "novelty": 3.41, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 6.92, "LE": 0.379, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.52, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.703, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.578, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.3666086696585875, "aff_pf": -0.923328677813212, "aff_hs": 0.11747085054715474, "repeats_pf": {"runs": 3, "values": [-1.0015, -0.8468, -0.9217], "mean": -0.9233, "spread": 0.1546}, "repeats_hs": {"runs": 3, "values": [0.2768, -0.0081, 0.0837], "mean": 0.1175, "spread": 0.2849}, "at": 1789441708}, "tier": 1, "alerts": [], "total_sd": 0.933, "total_ci95": [40.561, 44.158], "relegate_reason": [], "submitted_at": 1789436047, "scored_at": 1789441708, "rank": 2830}, {"candidate_id": "ODC-3F982E", "res_at": 1788434754, "skeleton": "HTIBMCVXXGFFKN", "hf_user": "Bio-JS", "display_name": "0903-S1-18 oCC_mF/cPr/spiroSO", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 42.387, "axes": {"activity": 20.29, "binding": 11.83, "selectivity": 1.05, "admet": 2.4, "novelty": 4.96, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.818, "fraction": 0.676}, "binding": {"pIC50": 7.08, "LE": 0.255, "potency_term": 0.695, "efficiency_cap": 0.851}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.453, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.698, "herg": 0.05, "dili": 0.253}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "0", "pAct_q10": 5.817655220501192, "aff_pf": -1.083896239598592, "aff_hs": -0.9328495661417643, "repeats_pf": {"runs": 3, "values": [-1.0704, -1.1078, -1.0734], "mean": -1.0839, "spread": 0.0374}, "repeats_hs": {"runs": 3, "values": [-1.1179, -0.8144, -0.8662], "mean": -0.9328, "spread": 0.3035}, "at": 1788434754}, "tier": 1, "alerts": [], "total_sd": 0.542, "total_ci95": [41.337, 43.263], "relegate_reason": [], "submitted_at": 1788362804, "scored_at": 1788434754, "rank": 2831}, {"candidate_id": "ODC-210D2C", "res_at": 1789265432, "skeleton": "KIAUNXUUXPQOOB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 42.375, "axes": {"activity": 13.14, "binding": 12.28, "selectivity": 7.68, "admet": 3.59, "novelty": 2.61, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 6.84, "LE": 0.408, "potency_term": 0.614, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.626, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.215, "cyp2c9-veith": 0.207, "cyp3a4-substrate-carbonmangels": 0.86, "ld50-zhu": 0.343, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 5.388421761423675, "aff_pf": -0.8415402173995972, "aff_hs": 0.40972622235616046, "repeats_pf": {"runs": 3, "values": [-0.7479, -0.8248, -0.952], "mean": -0.8415, "spread": 0.2041}, "repeats_hs": {"runs": 3, "values": [0.4645, 0.2882, 0.4765], "mean": 0.4097, "spread": 0.1883}, "at": 1789265432}, "tier": 1, "alerts": [], "total_sd": 1.14, "total_ci95": [40.523, 44.874], "relegate_reason": [], "submitted_at": 1789263092, "scored_at": 1789265432, "rank": 2832}, {"candidate_id": "ODC-9F437C", "res_at": 1789041551, "skeleton": "XYOJSMOWPMSRLZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 42.35, "axes": {"activity": 10.89, "binding": 12.76, "selectivity": 9.11, "admet": 4.67, "novelty": 1.95, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 6.91, "LE": 0.412, "potency_term": 0.638, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.8, "selectivity_term": 0.714, "target_engagement": 0.638}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.337, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.176, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.253426809331875, "aff_pf": -0.9134526054064432, "aff_hs": 0.5142834186553955, "repeats_pf": {"runs": 3, "values": [-0.9306, -0.9259, -0.8839], "mean": -0.9135, "spread": 0.0467}, "repeats_hs": {"runs": 3, "values": [0.4978, 0.5028, 0.5423], "mean": 0.5143, "spread": 0.0445}, "at": 1789041551}, "tier": 1, "alerts": [], "total_sd": 0.301, "total_ci95": [41.679, 42.802], "relegate_reason": [], "submitted_at": 1789040131, "scored_at": 1789041551, "rank": 2833}, {"candidate_id": "ODC-06EEDE", "res_at": 1786862358, "skeleton": "WMSVNHWVKQBVSC", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G7-PhCNCl", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.345, "axes": {"activity": 12.12, "binding": 12.57, "selectivity": 7.2, "admet": 4.75, "novelty": 2.86, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 6.89, "LE": 0.429, "potency_term": 0.629, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.0, "selectivity_term": 0.573, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 0.381, "ld50-zhu": 0.38, "herg": 0.697, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.327258633300454, "aff_pf": -0.8856410384178162, "aff_hs": 0.25940356651941937, "repeats_pf": {"runs": 3, "values": [-0.855, -0.9535, -0.8484], "mean": -0.8856, "spread": 0.105}, "repeats_hs": {"runs": 3, "values": [0.1983, 0.3027, 0.2772], "mean": 0.2594, "spread": 0.1044}, "at": 1786862358}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854163, "scored_at": 1786862358, "alerts": [], "rank": 2834}, {"candidate_id": "ODC-0BEB06", "res_at": 1787031508, "skeleton": "SJZBKBLRPHAIFO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 42.321, "axes": {"activity": 13.56, "binding": 12.0, "selectivity": 6.98, "admet": 4.37, "novelty": 2.89, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.414, "fraction": 0.452}, "binding": {"pIC50": 6.8, "LE": 0.388, "potency_term": 0.6, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.581, "target_engagement": 0.6}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 0.893, "ld50-zhu": 0.394, "herg": 0.532, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.413603800586046, "aff_pf": -0.8005343278249105, "aff_hs": 0.3618861834208171, "repeats_pf": {"runs": 3, "values": [-0.7665, -0.8261, -0.809], "mean": -0.8005, "spread": 0.0595}, "repeats_hs": {"runs": 3, "values": [0.3295, 0.3646, 0.3916], "mean": 0.3619, "spread": 0.062}, "at": 1787031508}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030653, "scored_at": 1787031508, "alerts": [], "rank": 2835}, {"candidate_id": "ODC-771489", "res_at": 1789103620, "skeleton": "GTTDEWPVPFVUEA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 42.321, "axes": {"activity": 13.57, "binding": 13.96, "selectivity": 4.04, "admet": 4.52, "novelty": 3.08, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 5.414, "fraction": 0.452}, "binding": {"pIC50": 7.09, "LE": 0.389, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.207, "ld50-zhu": 0.447, "herg": 0.236, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.41401883552471, "aff_pf": -1.0945508082707722, "aff_hs": -0.515569806098938, "repeats_pf": {"runs": 3, "values": [-1.0943, -1.1053, -1.084], "mean": -1.0946, "spread": 0.0213}, "repeats_hs": {"runs": 3, "values": [-0.5814, -0.5188, -0.4465], "mean": -0.5156, "spread": 0.1348}, "at": 1789103620}, "tier": 1, "alerts": [], "total_sd": 0.235, "total_ci95": [41.861, 42.731], "relegate_reason": [], "submitted_at": 1789093317, "scored_at": 1789103620, "rank": 2836}, {"candidate_id": "ODC-BA6FB6", "res_at": 1787020515, "skeleton": "KVVVUBOFLQXCOJ", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 42.304, "axes": {"activity": 15.03, "binding": 12.09, "selectivity": 5.48, "admet": 3.94, "novelty": 2.92, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 6.81, "LE": 0.373, "potency_term": 0.604, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.453, "target_engagement": 0.604}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.923, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.366, "herg": 0.226, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.501701161169401, "aff_pf": -0.8129364053408304, "aff_hs": 0.09306764354308446, "repeats_pf": {"runs": 3, "values": [-0.7157, -0.8596, -0.8635], "mean": -0.8129, "spread": 0.1479}, "repeats_hs": {"runs": 3, "values": [0.0948, 0.1481, 0.0364], "mean": 0.0931, "spread": 0.1117}, "at": 1787020515}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019517, "scored_at": 1787020515, "alerts": [], "rank": 2837}, {"candidate_id": "ODC-4A2A51", "res_at": 1787385037, "skeleton": "UABYDMSJANDPTM", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5 M9-1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········32)s1", "total": 42.303, "axes": {"activity": 10.85, "binding": 13.65, "selectivity": 8.25, "admet": 4.27, "novelty": 1.92, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 7.05, "LE": 0.358, "potency_term": 0.683, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.683}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.502, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.56, "herg": 0.177, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.719, "novelty": 0.281}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 5.251195955538328, "aff_pf": -1.0476946830749512, "aff_hs": 0.1615110437075297, "repeats_pf": {"runs": 3, "values": [-1.0727, -1.0345, -1.0359], "mean": -1.0477, "spread": 0.0382}, "repeats_hs": {"runs": 3, "values": [0.1428, 0.1234, 0.2183], "mean": 0.1615, "spread": 0.0949}, "at": 1787385037}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383288, "scored_at": 1787385037, "alerts": [], "rank": 2838}, {"candidate_id": "ODC-562C9A", "res_at": 1788328342, "skeleton": "RXANFDDRLRMSQR", "hf_user": "Bio-JS", "display_name": "0902C-S1-02", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.299, "axes": {"activity": 17.41, "binding": 9.8, "selectivity": 6.24, "admet": 2.56, "novelty": 4.0, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 6.72, "LE": 0.256, "potency_term": 0.575, "efficiency_cap": 0.853}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.575}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.391, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.49, "herg": 0.05, "dili": 0.297}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.644428097393927, "aff_pf": -0.7242218057314554, "aff_hs": 0.3613024552663167, "repeats_pf": {"runs": 3, "values": [-0.8592, -0.4805, -0.833], "mean": -0.7242, "spread": 0.3787}, "repeats_hs": {"runs": 3, "values": [0.2994, 0.3618, 0.4227], "mean": 0.3613, "spread": 0.1233}, "at": 1788328342}, "tier": 1, "alerts": [], "total_sd": 1.668, "total_ci95": [38.626, 44.704], "relegate_reason": [], "submitted_at": 1788327286, "scored_at": 1788328342, "rank": 2839}, {"candidate_id": "ODC-C9F8F1", "res_at": 1789620012, "skeleton": "QJBWQVBEEQQKHY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.298, "axes": {"activity": 9.95, "binding": 13.77, "selectivity": 8.23, "admet": 4.06, "novelty": 3.44, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.197, "fraction": 0.332}, "binding": {"pIC50": 7.07, "LE": 0.372, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.891, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.196803543402554, "aff_pf": -1.0653033256530762, "aff_hs": 0.1301173617442449, "repeats_pf": {"runs": 3, "values": [-1.194, -1.1317, -0.8702], "mean": -1.0653, "spread": 0.3237}, "repeats_hs": {"runs": 3, "values": [0.3032, 0.0208, 0.0664], "mean": 0.1301, "spread": 0.2824}, "at": 1789620012}, "tier": 1, "alerts": [], "total_sd": 1.873, "total_ci95": [38.026, 45.453], "relegate_reason": [], "submitted_at": 1789618733, "scored_at": 1789620012, "rank": 2840}, {"candidate_id": "ODC-A65586", "res_at": 1789997271, "skeleton": "YABZBIGAVIJYFB", "hf_user": "Bio-JS", "display_name": "0921-S1-20", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.292, "axes": {"activity": 11.83, "binding": 12.03, "selectivity": 8.69, "admet": 4.35, "novelty": 2.72, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.394}, "binding": {"pIC50": 6.8, "LE": 0.444, "potency_term": 0.602, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.8, "selectivity_term": 0.722, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.359, "herg": 0.676, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.3098343574848705, "aff_pf": -0.8047986030578613, "aff_hs": 0.6389734546343485, "repeats_pf": {"runs": 3, "values": [-0.8919, -1.0075, -0.515], "mean": -0.8048, "spread": 0.4925}, "repeats_hs": {"runs": 3, "values": [0.7931, 0.5066, 0.6172], "mean": 0.639, "spread": 0.2865}, "at": 1789997271}, "tier": 1, "alerts": [], "total_sd": 2.753, "total_ci95": [36.123, 46.767], "relegate_reason": [], "submitted_at": 1789990308, "scored_at": 1789997271, "rank": 2841}, {"candidate_id": "ODC-AFE606", "res_at": 1788222810, "skeleton": "VVZWCDXBHVWYTM", "hf_user": "Bio-JS", "display_name": "0901-S1 옥세탄-사이아노메틸 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.29, "axes": {"activity": 14.61, "binding": 12.49, "selectivity": 5.72, "admet": 2.68, "novelty": 4.36, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 7.13, "LE": 0.264, "potency_term": 0.71, "efficiency_cap": 0.88}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.71}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.339, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.256}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.47661139278017, "aff_pf": -1.129403034845988, "aff_hs": -0.32314902544021606, "repeats_pf": {"runs": 3, "values": [-1.1456, -1.058, -1.1846], "mean": -1.1294, "spread": 0.1266}, "repeats_hs": {"runs": 3, "values": [-0.2699, -0.3994, -0.3001], "mean": -0.3231, "spread": 0.1295}, "at": 1788222810}, "tier": 1, "alerts": [], "total_sd": 0.767, "total_ci95": [40.66, 43.657], "relegate_reason": [], "submitted_at": 1788222280, "scored_at": 1788222810, "rank": 2842}, {"candidate_id": "ODC-A883C7", "res_at": 1789069434, "skeleton": "ZZNPXFQARIXTHN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········ccc12", "total": 42.286, "axes": {"activity": 10.52, "binding": 13.54, "selectivity": 8.77, "admet": 2.32, "novelty": 3.81, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 7.22, "LE": 0.275, "potency_term": 0.739, "efficiency_cap": 0.916}, "selectivity": {"fold": 15.4, "selectivity_term": 0.593, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.339, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.389, "herg": 0.127, "dili": 0.362}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.231341865625039, "aff_pf": -1.2176547050476074, "aff_hs": -0.030871868133544922, "repeats_pf": {"runs": 3, "values": [-1.2695, -1.2319, -1.1515], "mean": -1.2177, "spread": 0.118}, "repeats_hs": {"runs": 3, "values": [-0.0888, -0.0734, 0.0696], "mean": -0.0309, "spread": 0.1584}, "at": 1789069434}, "tier": 1, "alerts": [], "total_sd": 0.76, "total_ci95": [40.93, 43.951], "relegate_reason": [], "submitted_at": 1789045920, "scored_at": 1789069434, "rank": 2843}, {"candidate_id": "ODC-BF5B13", "res_at": 1787673179, "skeleton": "DSYYWNNWEZBMAH", "hf_user": "Ku-ku", "display_name": "KK-M-0826-07", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········)cc21", "total": 42.282, "axes": {"activity": 26.61, "binding": 0.78, "selectivity": 0.0, "admet": 5.62, "novelty": 6.0, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 6.196, "fraction": 0.887}, "binding": {"pIC50": 5.13, "LE": 0.261, "potency_term": 0.045, "efficiency_cap": 0.868}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.237, "ld50-zhu": 0.456, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 6.1963898438844645, "aff_pf": 0.8658661643664042, "aff_hs": 0.6976772944132487, "repeats_pf": {"runs": 3, "values": [1.0596, 0.6233, 0.9147], "mean": 0.8659, "spread": 0.4363}, "repeats_hs": {"runs": 3, "values": [0.7166, 0.7065, 0.6699], "mean": 0.6977, "spread": 0.0467}, "at": 1787673179}, "tier": 1, "relegate_reason": [], "submitted_at": 1787672437, "scored_at": 1787673179, "alerts": [], "rank": 2844}, {"candidate_id": "ODC-74F4E4", "res_at": 1786900729, "skeleton": "HWVCUTHJDHNIPK", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.269, "axes": {"activity": 11.5, "binding": 13.7, "selectivity": 7.63, "admet": 4.36, "novelty": 2.01, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.29, "fraction": 0.383}, "binding": {"pIC50": 7.05, "LE": 0.372, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.0, "selectivity_term": 0.557, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 0.577, "ld50-zhu": 0.468, "herg": 0.085, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.2899025227119925, "aff_pf": -1.0548132260640461, "aff_hs": 0.05883445839087168, "repeats_pf": {"runs": 3, "values": [-1.1322, -1.0306, -1.0017], "mean": -1.0548, "spread": 0.1305}, "repeats_hs": {"runs": 3, "values": [-0.0018, 0.0926, 0.0857], "mean": 0.0588, "spread": 0.0944}, "at": 1786900729}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887618, "scored_at": 1786900729, "alerts": [], "rank": 2845}, {"candidate_id": "ODC-FCF14F", "res_at": 1787137547, "skeleton": "BNAVOXGPYWNSKK", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.239, "axes": {"activity": 15.11, "binding": 12.9, "selectivity": 3.79, "admet": 4.23, "novelty": 3.28, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.504}, "binding": {"pIC50": 6.94, "LE": 0.396, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.294, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.677, "ld50-zhu": 0.577, "herg": 0.374, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.506314391936016, "aff_pf": -0.9353737433751425, "aff_hs": -0.3482569257418315, "repeats_pf": {"runs": 3, "values": [-0.9092, -0.9717, -0.9252], "mean": -0.9354, "spread": 0.0625}, "repeats_hs": {"runs": 3, "values": [-0.381, -0.33, -0.3338], "mean": -0.3483, "spread": 0.051}, "at": 1787137547}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135526, "scored_at": 1787137547, "alerts": [], "rank": 2846}, {"candidate_id": "ODC-2FD400", "res_at": 1787703571, "skeleton": "JWOCCTLHHSUWLG", "hf_user": "Bio-JS", "display_name": "요인 O고리 × 메톡시메틸", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCC1(c··········)COC1", "total": 42.238, "axes": {"activity": 16.82, "binding": 8.26, "selectivity": 8.26, "admet": 2.71, "novelty": 3.9, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.609, "fraction": 0.561}, "binding": {"pIC50": 6.57, "LE": 0.237, "potency_term": 0.523, "efficiency_cap": 0.79}, "selectivity": {"fold": 37.9, "selectivity_term": 0.789, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.319, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.466, "herg": 0.05, "dili": 0.254}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.609045730755453, "aff_pf": -0.5698233147462209, "aff_hs": 1.0086756745974224, "repeats_pf": {"runs": 3, "values": [-0.6971, -0.9791, -0.0332], "mean": -0.5698, "spread": 0.9459}, "repeats_hs": {"runs": 3, "values": [0.9937, 0.9507, 1.0816], "mean": 1.0087, "spread": 0.1309}, "at": 1787703571}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702781, "scored_at": 1787703571, "alerts": [], "rank": 2847}, {"candidate_id": "ODC-4AE77A", "res_at": 1787566433, "skeleton": "BRSJOVMMAUDTIY", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.234, "axes": {"activity": 18.47, "binding": 9.75, "selectivity": 4.65, "admet": 2.67, "novelty": 4.16, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.708, "fraction": 0.616}, "binding": {"pIC50": 6.79, "LE": 0.245, "potency_term": 0.597, "efficiency_cap": 0.816}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.597}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.104, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.708382825662492, "aff_pf": -0.7916070818901062, "aff_hs": -0.013247778018315634, "repeats_pf": {"runs": 3, "values": [-0.9929, -0.7599, -0.6221], "mean": -0.7916, "spread": 0.3708}, "repeats_hs": {"runs": 3, "values": [-0.0495, -0.0141, 0.0239], "mean": -0.0132, "spread": 0.0735}, "at": 1787566433}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557260, "scored_at": 1787566433, "alerts": [], "rank": 2848}, {"candidate_id": "ODC-48FA5E", "res_at": 1787871648, "skeleton": "UWXOPFZODLDOKZ", "hf_user": "Bio-JS", "display_name": "가지: 에틸", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC1(c2··········)CSC1", "total": 42.22, "axes": {"activity": 17.83, "binding": 9.51, "selectivity": 6.07, "admet": 2.42, "novelty": 3.99, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.67, "fraction": 0.594}, "binding": {"pIC50": 6.72, "LE": 0.249, "potency_term": 0.573, "efficiency_cap": 0.829}, "selectivity": {"fold": 11.5, "selectivity_term": 0.53, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.289, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.05, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.66967056387897, "aff_pf": -0.7194980184237162, "aff_hs": 0.33955733974774677, "repeats_pf": {"runs": 3, "values": [-0.8053, -0.5936, -0.7596], "mean": -0.7195, "spread": 0.2117}, "repeats_hs": {"runs": 3, "values": [0.6608, -0.2206, 0.5785], "mean": 0.3396, "spread": 0.8814}, "at": 1787848160}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795851, "scored_at": 1787848160, "alerts": [], "rank": 2849}, {"candidate_id": "ODC-8EF077", "res_at": 1786861799, "skeleton": "PAJFGDDGVVVQPP", "hf_user": "ALEX32321", "display_name": "ALEXAI-DOM-A1-CoreCl-PyBrF", "model_name": "OpenCrab-ALEXAI dominance-first v1.5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.22, "axes": {"activity": 15.54, "binding": 11.85, "selectivity": 3.69, "admet": 5.37, "novelty": 3.31, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.533, "fraction": 0.518}, "binding": {"pIC50": 6.78, "LE": 0.442, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.311, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.831, "cyp3a4-substrate-carbonmangels": 0.556, "ld50-zhu": 0.546, "herg": 0.783, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.532574644373652, "aff_pf": -0.777427613735199, "aff_hs": -0.15537803371747336, "repeats_pf": {"runs": 3, "values": [-0.7998, -0.7772, -0.7553], "mean": -0.7774, "spread": 0.0445}, "repeats_hs": {"runs": 3, "values": [-0.1701, -0.2983, 0.0023], "mean": -0.1554, "spread": 0.3006}, "at": 1786861799}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852113, "scored_at": 1786861799, "alerts": [], "rank": 2850}, {"candidate_id": "ODC-5B0242", "res_at": 1786875988, "skeleton": "VWJHBOGZYBQRJZ", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 42.211, "axes": {"activity": 2.5, "binding": 14.33, "selectivity": 11.29, "admet": 6.61, "novelty": 4.54, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 4.75, "fraction": 0.083}, "binding": {"pIC50": 7.15, "LE": 0.466, "potency_term": 0.717, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.6, "selectivity_term": 0.788, "target_engagement": 0.717}, "admet": {"geometric_mean": 0.615, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.792, "cyp3a4-substrate-carbonmangels": 0.588, "ld50-zhu": 0.487, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 4.750122947561615, "aff_pf": -1.150199055671692, "aff_hs": 0.42489537596702576, "repeats_pf": {"runs": 3, "values": [-1.1755, -1.1643, -1.1108], "mean": -1.1502, "spread": 0.0648}, "repeats_hs": {"runs": 3, "values": [0.4445, 0.4671, 0.363], "mean": 0.4249, "spread": 0.1041}, "at": 1786875988}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867991, "scored_at": 1786875988, "alerts": [], "rank": 2851}, {"candidate_id": "ODC-7598CC", "res_at": 1786942923, "skeleton": "NJQWZTKXOOBEPM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 42.199, "axes": {"activity": 16.78, "binding": 10.89, "selectivity": 5.43, "admet": 3.2, "novelty": 3.67, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 6.63, "LE": 0.364, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.499, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.631, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.434, "herg": 0.298, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.6070903863632475, "aff_pf": -0.6338334480921427, "aff_hs": 0.36405448118845624, "repeats_pf": {"runs": 3, "values": [-0.4192, -0.7677, -0.7146], "mean": -0.6338, "spread": 0.3485}, "repeats_hs": {"runs": 3, "values": [0.327, 0.3468, 0.4184], "mean": 0.3641, "spread": 0.0914}, "at": 1786942923}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933573, "scored_at": 1786942923, "alerts": [], "rank": 2852}, {"candidate_id": "ODC-ADB6D0", "res_at": 1789111107, "skeleton": "COZXHECDVIOBPS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.197, "axes": {"activity": 9.38, "binding": 15.0, "selectivity": 5.34, "admet": 5.24, "novelty": 3.87, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.163, "fraction": 0.313}, "binding": {"pIC50": 7.25, "LE": 0.414, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.356, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.416, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.522, "herg": 0.199, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.162754302051305, "aff_pf": -1.2496658166249592, "aff_hs": -0.5376655409733454, "repeats_pf": {"runs": 3, "values": [-1.1604, -1.3194, -1.2692], "mean": -1.2497, "spread": 0.159}, "repeats_hs": {"runs": 3, "values": [-0.6965, -0.6851, -0.2314], "mean": -0.5377, "spread": 0.4651}, "at": 1789111107}, "tier": 1, "alerts": [], "total_sd": 1.289, "total_ci95": [39.873, 44.567], "relegate_reason": [], "submitted_at": 1789094391, "scored_at": 1789111107, "rank": 2853}, {"candidate_id": "ODC-319933", "res_at": 1788144372, "skeleton": "ODYCVDGWZKPCRT", "hf_user": "Bio-JS", "display_name": "L2 링커 NH->S (챔피언 섀시)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(S··········nc2n1", "total": 42.179, "axes": {"activity": 20.95, "binding": 5.77, "selectivity": 3.62, "admet": 4.04, "novelty": 4.8, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 5.87, "LE": 0.349, "potency_term": 0.288, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.0, "selectivity_term": 0.628, "target_engagement": 0.288}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.56, "ld50-zhu": 0.264, "herg": 0.549, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.8570096343325435, "aff_pf": 0.13457990686098734, "aff_hs": 1.390800913174947, "repeats_pf": {"runs": 3, "values": [-0.1135, 0.2504, 0.2668], "mean": 0.1346, "spread": 0.3803}, "repeats_hs": {"runs": 3, "values": [1.3378, 1.2954, 1.5392], "mean": 1.3908, "spread": 0.2438}, "at": 1788144372}, "tier": 1, "alerts": [], "total_sd": 1.422, "total_ci95": [40.326, 45.793], "relegate_reason": [], "submitted_at": 1788139300, "scored_at": 1788144372, "rank": 2854}, {"candidate_id": "ODC-F4B35A", "res_at": 1789591300, "skeleton": "SWRUQENQYHFQRZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 42.179, "axes": {"activity": 15.81, "binding": 11.38, "selectivity": 5.8, "admet": 3.23, "novelty": 3.68, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.549, "fraction": 0.527}, "binding": {"pIC50": 6.71, "LE": 0.353, "potency_term": 0.569, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.569}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.896, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.565, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.548608082043242, "aff_pf": -0.706942637761434, "aff_hs": 0.3118485187490781, "repeats_pf": {"runs": 3, "values": [-0.7831, -0.5729, -0.7648], "mean": -0.7069, "spread": 0.2102}, "repeats_hs": {"runs": 3, "values": [0.7132, 0.1315, 0.0909], "mean": 0.3118, "spread": 0.6223}, "at": 1789591300}, "tier": 1, "alerts": [], "total_sd": 1.482, "total_ci95": [39.52, 44.825], "relegate_reason": [], "submitted_at": 1789572452, "scored_at": 1789591300, "rank": 2855}, {"candidate_id": "ODC-2910B7", "res_at": 1786854944, "skeleton": "DIMQASKKUNNRRO", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.177, "axes": {"activity": 13.88, "binding": 11.12, "selectivity": 7.74, "admet": 4.24, "novelty": 2.78, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.67, "LE": 0.397, "potency_term": 0.556, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.7, "selectivity_term": 0.697, "target_engagement": 0.556}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.931, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.465, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.433083737270743, "aff_pf": -0.6673626899719238, "aff_hs": 0.7259235978126526, "repeats_pf": {"runs": 3, "values": [-0.6557, -0.6499, -0.6965], "mean": -0.6674, "spread": 0.0465}, "repeats_hs": {"runs": 3, "values": [0.6821, 0.7192, 0.7765], "mean": 0.7259, "spread": 0.0944}, "at": 1786854944}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847745, "scored_at": 1786854944, "alerts": [], "rank": 2856}, {"candidate_id": "ODC-BE1723", "res_at": 1786799016, "skeleton": "MLGBHTGXGANLPW", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 42.169, "axes": {"activity": 8.44, "binding": 14.4, "selectivity": 7.92, "admet": 4.94, "novelty": 3.25, "synthesis": 3.22}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 7.16, "LE": 0.409, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.55, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.537, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.643, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.215, "herg": 0.525, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.106355268232115, "aff_pf": -1.159918189048767, "aff_hs": -0.06022097667058309, "repeats_pf": {"runs": 3, "values": [-1.179, -1.1257, -1.1751], "mean": -1.1599, "spread": 0.0533}, "repeats_hs": {"runs": 3, "values": [-0.1107, -0.0106, -0.0594], "mean": -0.0602, "spread": 0.1001}, "at": 1786799016}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785123, "scored_at": 1786799016, "alerts": [], "rank": 2857}, {"candidate_id": "ODC-96471E", "res_at": 1788993801, "skeleton": "REAGEHZQPMCMEO", "hf_user": "Bio-JS", "display_name": "0910-S1-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.169, "axes": {"activity": 12.59, "binding": 12.86, "selectivity": 6.81, "admet": 4.99, "novelty": 1.8, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.355, "fraction": 0.42}, "binding": {"pIC50": 6.93, "LE": 0.413, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.53, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.756, "ld50-zhu": 0.494, "herg": 0.398, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 5.35539256265849, "aff_pf": -0.9289590915044149, "aff_hs": 0.1304647425810496, "repeats_pf": {"runs": 3, "values": [-0.9788, -0.9415, -0.8666], "mean": -0.929, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [0.1061, 0.0676, 0.2177], "mean": 0.1305, "spread": 0.1502}, "at": 1788993801}, "tier": 1, "alerts": [], "total_sd": 0.634, "total_ci95": [40.745, 43.316], "relegate_reason": [], "submitted_at": 1788993254, "scored_at": 1788993801, "rank": 2858}, {"candidate_id": "ODC-BE84AF", "res_at": 1789880653, "skeleton": "PZXKMXYRXYNARJ", "hf_user": "Ku-ku", "display_name": "KK-M-0917-486", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1NCC2", "total": 42.156, "axes": {"activity": 11.91, "binding": 11.6, "selectivity": 6.68, "admet": 6.15, "novelty": 3.98, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.74, "LE": 0.369, "potency_term": 0.58, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.575, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.706, "per_endpoint": {"solubility-aqsoldb": 0.838, "caco2-wang": 0.481, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.936, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.542, "herg": 0.864, "dili": 0.141}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "2", "pAct_q10": 5.314865540184572, "aff_pf": -0.7406874299049377, "aff_hs": 0.40981318553288776, "repeats_pf": {"runs": 3, "values": [-0.706, -0.6698, -0.8462], "mean": -0.7407, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [0.3549, 0.4295, 0.445], "mean": 0.4098, "spread": 0.0901}, "at": 1789880653}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.983, "total_ci95": [40.53, 44.607], "relegate_reason": [], "submitted_at": 1789633677, "scored_at": 1789880653, "rank": 2859}, {"candidate_id": "ODC-2D0152", "res_at": 1789188812, "skeleton": "IUJIYGRBGMGACD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 42.145, "axes": {"activity": 13.12, "binding": 12.07, "selectivity": 7.59, "admet": 3.76, "novelty": 2.86, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.387, "fraction": 0.437}, "binding": {"pIC50": 6.81, "LE": 0.389, "potency_term": 0.603, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.603}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.497, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.092, "ld50-zhu": 0.684, "herg": 0.226, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.387186350670879, "aff_pf": -0.8100296060244242, "aff_hs": 0.4474097688992818, "repeats_pf": {"runs": 3, "values": [-0.8818, -0.8875, -0.6607], "mean": -0.81, "spread": 0.2268}, "repeats_hs": {"runs": 3, "values": [0.6022, 0.3047, 0.4354], "mean": 0.4474, "spread": 0.2976}, "at": 1789188812}, "tier": 1, "alerts": [], "total_sd": 1.508, "total_ci95": [38.924, 44.456], "relegate_reason": [], "submitted_at": 1789174769, "scored_at": 1789188812, "rank": 2860}, {"candidate_id": "ODC-82E930", "res_at": 1787424535, "skeleton": "CAGBQRWEDMUBPU", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········2)cc1", "total": 42.142, "axes": {"activity": 19.05, "binding": 9.27, "selectivity": 4.23, "admet": 2.5, "novelty": 4.36, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.743, "fraction": 0.635}, "binding": {"pIC50": 6.69, "LE": 0.248, "potency_term": 0.562, "efficiency_cap": 0.825}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.562}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.575, "ld50-zhu": 0.756, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.742707492299513, "aff_pf": -0.6850996613502502, "aff_hs": 0.06806518634160359, "repeats_pf": {"runs": 3, "values": [-0.7449, -0.602, -0.7084], "mean": -0.6851, "spread": 0.1429}, "repeats_hs": {"runs": 3, "values": [-0.0186, 0.3928, -0.17], "mean": 0.0681, "spread": 0.5629}, "at": 1787424535}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424242, "scored_at": 1787424535, "alerts": [], "rank": 2861}, {"candidate_id": "ODC-7ACB4E", "res_at": 1788302540, "skeleton": "NDRUESAYCCRDBT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 42.14, "axes": {"activity": 19.83, "binding": 10.19, "selectivity": 1.47, "admet": 3.23, "novelty": 4.11, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.79, "fraction": 0.661}, "binding": {"pIC50": 6.82, "LE": 0.252, "potency_term": 0.606, "efficiency_cap": 0.841}, "selectivity": {"fold": 1.7, "selectivity_term": 0.121, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.515, "hia-hou": 1.0, "bioavailability-ma": 0.939, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.614}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "0", "pAct_q10": 5.789974263897311, "aff_pf": -0.8174370924631754, "aff_hs": -0.5749042133490244, "repeats_pf": {"runs": 3, "values": [-0.8872, -0.6391, -0.9261], "mean": -0.8174, "spread": 0.287}, "repeats_hs": {"runs": 3, "values": [-0.323, -0.6293, -0.7724], "mean": -0.5749, "spread": 0.4494}, "at": 1788302540}, "tier": 1, "alerts": [], "total_sd": 1.176, "total_ci95": [40.148, 44.471], "relegate_reason": [], "submitted_at": 1788275423, "scored_at": 1788302540, "rank": 2862}, {"candidate_id": "ODC-A07F9D", "res_at": 1786851263, "skeleton": "CIEAQNRLXDTBJT", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 42.13, "axes": {"activity": 10.68, "binding": 14.83, "selectivity": 5.53, "admet": 4.46, "novelty": 3.44, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.241, "fraction": 0.356}, "binding": {"pIC50": 7.22, "LE": 0.381, "potency_term": 0.741, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.741}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.981, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.674, "ld50-zhu": 0.615, "herg": 0.124, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.240817059659954, "aff_pf": -1.2239483992258708, "aff_hs": -0.47790167729059857, "repeats_pf": {"runs": 3, "values": [-1.1859, -1.2401, -1.2458], "mean": -1.2239, "spread": 0.0599}, "repeats_hs": {"runs": 3, "values": [-0.4521, -0.4908, -0.4907], "mean": -0.4779, "spread": 0.0387}, "at": 1786851263}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847241, "scored_at": 1786851263, "alerts": [], "rank": 2863}, {"candidate_id": "ODC-A71598", "res_at": 1786904160, "skeleton": "SUEOREJORADYHM", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "anthropic/claude-opus-5 (Claude Code + RDKit / AutoDock Vina pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)s1", "total": 42.127, "axes": {"activity": 15.0, "binding": 11.31, "selectivity": 8.29, "admet": 3.07, "novelty": 1.66, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.5, "fraction": 0.5}, "binding": {"pIC50": 6.7, "LE": 0.353, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.2, "selectivity_term": 0.733, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.745, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.544, "herg": 0.05, "dili": 0.122}}, "novelty": {"max_tanimoto": 0.707, "novelty": 0.293}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.500002723469576, "aff_pf": -0.6966154177983602, "aff_hs": 0.7694341540336609, "repeats_pf": {"runs": 3, "values": [-0.6676, -0.7334, -0.6888], "mean": -0.6966, "spread": 0.0659}, "repeats_hs": {"runs": 3, "values": [0.8069, 0.7635, 0.7379], "mean": 0.7694, "spread": 0.069}, "at": 1786904160}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891336, "scored_at": 1786904160, "alerts": [], "rank": 2864}, {"candidate_id": "ODC-29F04A", "res_at": 1786770757, "skeleton": "HAFRERAQBNZDOD", "hf_user": "PhD-Shin", "display_name": "PhD.Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.12, "axes": {"activity": 12.11, "binding": 14.21, "selectivity": 6.09, "admet": 4.52, "novelty": 2.16, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 7.13, "LE": 0.362, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.408, "cyp3a4-substrate-carbonmangels": 0.691, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.3265227770271375, "aff_pf": -1.1322346925735474, "aff_hs": -0.2748655080795288, "at": 1786770757}, "tier": 1, "relegate_reason": [], "submitted_at": 1786770363, "scored_at": 1786770757, "alerts": [], "rank": 2865}, {"candidate_id": "ODC-8AC01B", "res_at": 1786988090, "skeleton": "LRHKMMQSANWVBQ", "hf_user": "Melchi-zedek", "display_name": "Codex-PfDHODH-06-Fused7Br8Me", "model_name": "openai/gpt-5.6-sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.108, "axes": {"activity": 15.42, "binding": 14.58, "selectivity": 3.91, "admet": 3.69, "novelty": 1.91, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.525, "fraction": 0.514}, "binding": {"pIC50": 7.19, "LE": 0.365, "potency_term": 0.729, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.729}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.053, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.05, "dili": 0.492}}, "novelty": {"max_tanimoto": 0.738, "novelty": 0.262}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "2", "pAct_q10": 5.52540584395013, "aff_pf": -1.1867916186650593, "aff_hs": -0.6504553556442261, "repeats_pf": {"runs": 3, "values": [-1.1269, -1.2454, -1.1882], "mean": -1.1868, "spread": 0.1185}, "repeats_hs": {"runs": 3, "values": [-0.6599, -0.5893, -0.7022], "mean": -0.6505, "spread": 0.1129}, "at": 1786988090}, "tier": 1, "relegate_reason": [], "submitted_at": 1786982431, "scored_at": 1786988090, "alerts": [], "rank": 2866}, {"candidate_id": "ODC-939947", "res_at": 1786855874, "skeleton": "KZCNWUNBXNEIOO", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········nc2n1", "total": 42.104, "axes": {"activity": 14.19, "binding": 12.0, "selectivity": 6.08, "admet": 4.28, "novelty": 2.9, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.452, "fraction": 0.473}, "binding": {"pIC50": 6.8, "LE": 0.405, "potency_term": 0.6, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.6}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.402, "cyp3a4-substrate-carbonmangels": 0.29, "ld50-zhu": 0.26, "herg": 0.68, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.4516593719586695, "aff_pf": -0.8000679612159729, "aff_hs": 0.2133935590585073, "repeats_pf": {"runs": 3, "values": [-0.8256, -0.8267, -0.7479], "mean": -0.8001, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [0.1516, 0.2457, 0.2429], "mean": 0.2134, "spread": 0.0941}, "at": 1786855874}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848314, "scored_at": 1786855874, "alerts": [], "rank": 2867}, {"candidate_id": "ODC-951F6F", "res_at": 1789951986, "skeleton": "FSAPOXDQJTVDGZ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 42.098, "axes": {"activity": 20.25, "binding": 8.87, "selectivity": 4.77, "admet": 2.3, "novelty": 4.05, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.815, "fraction": 0.675}, "binding": {"pIC50": 6.56, "LE": 0.257, "potency_term": 0.519, "efficiency_cap": 0.855}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.519}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.371, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.626, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 4.09}}, "run": {"gpu": "0", "pAct_q10": 5.815162243834511, "aff_pf": -0.5557894309361776, "aff_hs": 0.3645264208316803, "repeats_pf": {"runs": 3, "values": [-0.335, -0.6411, -0.6913], "mean": -0.5558, "spread": 0.3564}, "repeats_hs": {"runs": 3, "values": [0.5553, 0.14, 0.3982], "mean": 0.3645, "spread": 0.4153}, "at": 1789951986}, "tier": 1, "alerts": [], "total_sd": 1.439, "total_ci95": [39.492, 44.735], "relegate_reason": [], "submitted_at": 1789837523, "scored_at": 1789951986, "rank": 2868}, {"candidate_id": "ODC-9820C6", "res_at": 1789358796, "skeleton": "IZQKMCBFWRMVPT", "hf_user": "Bio-JS", "display_name": "0914-S1-div17", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 42.082, "axes": {"activity": 12.5, "binding": 12.22, "selectivity": 7.61, "admet": 3.41, "novelty": 3.9, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.35, "fraction": 0.417}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.623, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.856, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.582, "herg": 0.093, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.349922293741807, "aff_pf": -0.8326540589332581, "aff_hs": 0.4132138093312581, "repeats_pf": {"runs": 3, "values": [-0.7991, -0.7544, -0.9444], "mean": -0.8327, "spread": 0.1899}, "repeats_hs": {"runs": 3, "values": [0.5703, 0.3092, 0.3602], "mean": 0.4132, "spread": 0.261}, "at": 1789358796}, "tier": 1, "alerts": [], "total_sd": 1.115, "total_ci95": [40.173, 44.611], "relegate_reason": [], "submitted_at": 1789346140, "scored_at": 1789358796, "rank": 2869}, {"candidate_id": "ODC-EA9F62", "res_at": 1788870444, "skeleton": "IZGYFWISLGFMBK", "hf_user": "Ku-ku", "display_name": "KK-M-0908-263", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 42.072, "axes": {"activity": 13.26, "binding": 12.08, "selectivity": 3.66, "admet": 6.84, "novelty": 4.25, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.396, "fraction": 0.442}, "binding": {"pIC50": 6.81, "LE": 0.406, "potency_term": 0.604, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.303, "target_engagement": 0.604}, "admet": {"geometric_mean": 0.755, "per_endpoint": {"solubility-aqsoldb": 0.836, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.787, "cyp3a4-substrate-carbonmangels": 0.858, "ld50-zhu": 0.536, "herg": 0.96, "dili": 0.257}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "0", "pAct_q10": 5.395770767230419, "aff_pf": -0.811933676401774, "aff_hs": -0.20567916333675385, "repeats_pf": {"runs": 3, "values": [-0.7881, -0.8267, -0.821], "mean": -0.8119, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [-0.1985, -0.2387, -0.1798], "mean": -0.2057, "spread": 0.0589}, "at": 1788870444}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.241, "total_ci95": [41.588, 42.475], "relegate_reason": [], "submitted_at": 1788861894, "scored_at": 1788870444, "rank": 2870}, {"candidate_id": "ODC-E943B9", "res_at": 1789568773, "skeleton": "PXHOIGREMSIKJJ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 42.069, "axes": {"activity": 16.33, "binding": 12.45, "selectivity": 3.39, "admet": 4.08, "novelty": 4.25, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.544}, "binding": {"pIC50": 6.94, "LE": 0.288, "potency_term": 0.648, "efficiency_cap": 0.961}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.648}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.426, "hia-hou": 0.977, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.743, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.778, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.23}}, "run": {"gpu": "0", "pAct_q10": 5.579964383237321, "aff_pf": -0.9432442784309387, "aff_hs": -0.42044901847839355, "repeats_pf": {"runs": 3, "values": [-0.9413, -0.9799, -0.9085], "mean": -0.9432, "spread": 0.0714}, "repeats_hs": {"runs": 3, "values": [-0.618, -0.3134, -0.3299], "mean": -0.4204, "spread": 0.3046}, "at": 1789568773}, "tier": 1, "alerts": [], "total_sd": 0.639, "total_ci95": [40.789, 43.283], "relegate_reason": [], "submitted_at": 1789567319, "scored_at": 1789568773, "rank": 2871}, {"candidate_id": "ODC-1DA45E", "res_at": 1789997142, "skeleton": "USUDICDQZSLPHD", "hf_user": "Bio-JS", "display_name": "0921-S1-27", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 42.065, "axes": {"activity": 13.62, "binding": 12.34, "selectivity": 6.23, "admet": 4.59, "novelty": 2.47, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 6.85, "LE": 0.348, "potency_term": 0.617, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.512, "cyp3a4-substrate-carbonmangels": 0.233, "ld50-zhu": 0.663, "herg": 0.129, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.41694193281144, "aff_pf": -0.8511345982551575, "aff_hs": 0.15772159894307455, "repeats_pf": {"runs": 3, "values": [-0.8988, -0.8024, -0.8522], "mean": -0.8511, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [0.2097, 0.1765, 0.087], "mean": 0.1577, "spread": 0.1227}, "at": 1789997142}, "tier": 1, "alerts": [], "total_sd": 0.519, "total_ci95": [41.09, 42.948], "relegate_reason": [], "submitted_at": 1789990589, "scored_at": 1789997142, "rank": 2872}, {"candidate_id": "ODC-7F1395", "res_at": 1787621872, "skeleton": "SAZASCBYDNJWSS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 42.036, "axes": {"activity": 15.05, "binding": 12.57, "selectivity": 5.32, "admet": 3.28, "novelty": 3.2, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 6.89, "LE": 0.325, "potency_term": 0.628, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.628}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.374, "ld50-zhu": 0.575, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.502772714855824, "aff_pf": -0.8854946891466776, "aff_hs": -0.039152885476748146, "repeats_pf": {"runs": 3, "values": [-1.0138, -0.7619, -0.8808], "mean": -0.8855, "spread": 0.2519}, "repeats_hs": {"runs": 3, "values": [-0.1099, 0.0742, -0.0818], "mean": -0.0392, "spread": 0.1841}, "at": 1787621872}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620859, "scored_at": 1787621872, "alerts": [], "rank": 2873}, {"candidate_id": "ODC-8252A5", "res_at": 1787086314, "skeleton": "GYGVJBRRCIBJLE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 42.034, "axes": {"activity": 10.41, "binding": 12.9, "selectivity": 8.02, "admet": 3.87, "novelty": 4.07, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 6.94, "LE": 0.396, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.5, "selectivity_term": 0.621, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.656, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.634, "ld50-zhu": 0.402, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.224852941241948, "aff_pf": -0.9357201457023621, "aff_hs": 0.30670516689618427, "repeats_pf": {"runs": 3, "values": [-0.9637, -0.9961, -0.8474], "mean": -0.9357, "spread": 0.1488}, "repeats_hs": {"runs": 3, "values": [0.2959, 0.2417, 0.3826], "mean": 0.3067, "spread": 0.1409}, "at": 1787086314}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074218, "scored_at": 1787086314, "alerts": [], "rank": 2874}, {"candidate_id": "ODC-BA809C", "res_at": 1787492650, "skeleton": "PEVFYSZOVHBVDP", "hf_user": "takutoyo", "display_name": "PfD15-06", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········)c2n1", "total": 42.033, "axes": {"activity": 23.66, "binding": 8.27, "selectivity": 0.19, "admet": 2.9, "novelty": 4.0, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 6.02, "fraction": 0.789}, "binding": {"pIC50": 6.43, "LE": 0.259, "potency_term": 0.478, "efficiency_cap": 0.864}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.412, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.699, "ld50-zhu": 0.619, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.019565768831222, "aff_pf": -0.4345589280128479, "aff_hs": -0.3941238919893901, "repeats_pf": {"runs": 3, "values": [-0.4059, -0.4187, -0.4791], "mean": -0.4346, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [-0.4885, -0.1181, -0.5757], "mean": -0.3941, "spread": 0.4576}, "at": 1787492650}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491531, "scored_at": 1787492650, "alerts": [], "rank": 2875}, {"candidate_id": "ODC-70FED4", "res_at": 1789058233, "skeleton": "KRZVWZLOAPDLCB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 42.032, "axes": {"activity": 16.26, "binding": 13.39, "selectivity": 3.1, "admet": 3.68, "novelty": 2.68, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.576, "fraction": 0.542}, "binding": {"pIC50": 7.01, "LE": 0.369, "potency_term": 0.669, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.232, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.08, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.13, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.575790898050243, "aff_pf": -1.007917841275533, "aff_hs": -0.5447427729765574, "repeats_pf": {"runs": 3, "values": [-1.0439, -0.9732, -1.0066], "mean": -1.0079, "spread": 0.0707}, "repeats_hs": {"runs": 3, "values": [-0.4481, -0.5955, -0.5906], "mean": -0.5447, "spread": 0.1474}, "at": 1789058233}, "tier": 1, "alerts": [], "total_sd": 0.39, "total_ci95": [41.259, 42.826], "relegate_reason": [], "submitted_at": 1789041323, "scored_at": 1789058233, "rank": 2876}, {"candidate_id": "ODC-4E2534", "res_at": 1787186935, "skeleton": "YSDIYCOCQXKKQM", "hf_user": "Ku-ku", "display_name": "L4b_vinyl_SCHF2_pyPh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 42.031, "axes": {"activity": 19.81, "binding": 8.07, "selectivity": 4.39, "admet": 2.84, "novelty": 4.05, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.789, "fraction": 0.66}, "binding": {"pIC50": 6.21, "LE": 0.304, "potency_term": 0.404, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.052, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.268, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.349, "herg": 0.172, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.788548925717056, "aff_pf": -0.210813341041406, "aff_hs": 0.8760536313056946, "repeats_pf": {"runs": 3, "values": [-0.4104, -0.2142, -0.0078], "mean": -0.2108, "spread": 0.4025}, "repeats_hs": {"runs": 3, "values": [0.9343, 0.7035, 0.9903], "mean": 0.8761, "spread": 0.2868}, "at": 1787186935}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184099, "scored_at": 1787186935, "alerts": [], "rank": 2877}, {"candidate_id": "ODC-26509B", "res_at": 1787923334, "skeleton": "GSXJEQQTUOPLGA", "hf_user": "Bio-JS", "display_name": "K10 코어2-CN x 싸이에탄 (섀시 짝 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)CSC1", "total": 42.027, "axes": {"activity": 18.7, "binding": 11.81, "selectivity": 2.53, "admet": 2.36, "novelty": 4.16, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.722, "fraction": 0.623}, "binding": {"pIC50": 7.04, "LE": 0.261, "potency_term": 0.68, "efficiency_cap": 0.869}, "selectivity": {"fold": 2.4, "selectivity_term": 0.186, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.373, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.722186497298189, "aff_pf": -1.0395912329355876, "aff_hs": -0.6669813295205435, "repeats_pf": {"runs": 3, "values": [-0.9431, -0.963, -1.2127], "mean": -1.0396, "spread": 0.2697}, "repeats_hs": {"runs": 3, "values": [-0.8857, -0.4049, -0.7103], "mean": -0.667, "spread": 0.4807}, "at": 1787923334}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898945, "scored_at": 1787923334, "alerts": [], "rank": 2878}, {"candidate_id": "ODC-237442", "res_at": 1786980607, "skeleton": "LBIANWUTMRXNPQ", "hf_user": "ipsych", "display_name": "TPV-propynyl5-SMe-4CF3-3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC#Cc1c··········nc2n1", "total": 42.018, "axes": {"activity": 13.41, "binding": 13.31, "selectivity": 5.91, "admet": 3.07, "novelty": 3.7, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.0, "LE": 0.369, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.428, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.40487625750943, "aff_pf": -0.9958742459615072, "aff_hs": -0.10795331001281738, "repeats_pf": {"runs": 3, "values": [-1.0532, -0.9125, -1.0219], "mean": -0.9959, "spread": 0.1407}, "repeats_hs": {"runs": 3, "values": [-0.1045, -0.0812, -0.1381], "mean": -0.108, "spread": 0.0569}, "at": 1786980607}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977377, "scored_at": 1786980607, "alerts": [], "rank": 2879}, {"candidate_id": "ODC-BA7F98", "res_at": 1787259910, "skeleton": "WAWDCUYASUGTGR", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R02", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 42.014, "axes": {"activity": 22.17, "binding": 5.9, "selectivity": 2.27, "admet": 3.48, "novelty": 4.64, "synthesis": 3.55}, "detail": {"activity": {"pAct_q10": 5.93, "fraction": 0.739}, "binding": {"pIC50": 6.06, "LE": 0.251, "potency_term": 0.352, "efficiency_cap": 0.838}, "selectivity": {"fold": 4.4, "selectivity_term": 0.322, "target_engagement": 0.352}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.262, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.361}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.930317150422072, "aff_pf": -0.05623100697994232, "aff_hs": 0.5874875287214915, "repeats_pf": {"runs": 3, "values": [-0.0534, 0.0257, -0.141], "mean": -0.0562, "spread": 0.1667}, "repeats_hs": {"runs": 3, "values": [0.7815, 0.8242, 0.1567], "mean": 0.5875, "spread": 0.6675}, "at": 1787259910}, "tier": 1, "relegate_reason": [], "submitted_at": 1787259705, "scored_at": 1787259910, "alerts": [], "rank": 2880}, {"candidate_id": "ODC-1BDEF3", "res_at": 1787871620, "skeleton": "QTKRZYZXEZQJKP", "hf_user": "Bio-JS", "display_name": "가지: 플루오로 (직결)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 42.012, "axes": {"activity": 15.93, "binding": 10.92, "selectivity": 6.96, "admet": 2.33, "novelty": 3.66, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.556, "fraction": 0.531}, "binding": {"pIC50": 6.88, "LE": 0.262, "potency_term": 0.626, "efficiency_cap": 0.872}, "selectivity": {"fold": 13.0, "selectivity_term": 0.556, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.389, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.555849534484366, "aff_pf": -0.8779100775718689, "aff_hs": 0.23476102451483408, "repeats_pf": {"runs": 3, "values": [-0.8943, -0.9035, -0.836], "mean": -0.8779, "spread": 0.0675}, "repeats_hs": {"runs": 3, "values": [0.2955, 0.2312, 0.1775], "mean": 0.2348, "spread": 0.118}, "at": 1787847716}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795843, "scored_at": 1787847716, "alerts": [], "rank": 2881}, {"candidate_id": "ODC-E176C7", "res_at": 1787316956, "skeleton": "UBOHXDWUVDCQIG", "hf_user": "takutoyo", "display_name": "PfD12-08", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 42.011, "axes": {"activity": 22.7, "binding": 8.75, "selectivity": 0.0, "admet": 2.86, "novelty": 5.29, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.962, "fraction": 0.757}, "binding": {"pIC50": 6.5, "LE": 0.262, "potency_term": 0.501, "efficiency_cap": 0.873}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.501}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.572, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.552, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 5.962021376634062, "aff_pf": -0.5027681390444437, "aff_hs": -0.5081266363461813, "repeats_pf": {"runs": 3, "values": [-0.4912, -0.4888, -0.5283], "mean": -0.5028, "spread": 0.0394}, "repeats_hs": {"runs": 3, "values": [-0.5224, -0.5418, -0.4602], "mean": -0.5081, "spread": 0.0816}, "at": 1787316956}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315729, "scored_at": 1787316956, "alerts": [], "rank": 2882}, {"candidate_id": "ODC-0F85F1", "res_at": 1787379593, "skeleton": "DTDWIGDBOAXYAN", "hf_user": "1Dmeds", "display_name": "ODC26-G26", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········C1)C2", "total": 41.993, "axes": {"activity": 26.19, "binding": 4.77, "selectivity": 0.0, "admet": 3.28, "novelty": 5.86, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 6.172, "fraction": 0.873}, "binding": {"pIC50": 5.9, "LE": 0.238, "potency_term": 0.301, "efficiency_cap": 0.793}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.301}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.367, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.273, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.908, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 4.48}}, "run": {"gpu": "3", "pAct_q10": 6.171558280091022, "aff_pf": 0.09819429367780685, "aff_hs": -0.07583913703759511, "repeats_pf": {"runs": 3, "values": [0.0381, 0.1056, 0.1509], "mean": 0.0982, "spread": 0.1128}, "repeats_hs": {"runs": 3, "values": [-0.1112, 0.1773, -0.2936], "mean": -0.0758, "spread": 0.4709}, "at": 1787379593}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372824, "scored_at": 1787379593, "alerts": [], "rank": 2883}, {"candidate_id": "ODC-6642F2", "res_at": 1789554813, "skeleton": "XFBIBICJTMKUIF", "hf_user": "Bio-JS", "display_name": "0916-S1-div25", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 41.991, "axes": {"activity": 13.14, "binding": 11.91, "selectivity": 7.3, "admet": 4.19, "novelty": 2.98, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 6.79, "LE": 0.344, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.613, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.848, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.48, "herg": 0.302, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.388198150647959, "aff_pf": -0.7859337329864502, "aff_hs": 0.4396107792854309, "repeats_pf": {"runs": 3, "values": [-0.7436, -0.8186, -0.7955], "mean": -0.7859, "spread": 0.075}, "repeats_hs": {"runs": 3, "values": [0.521, 0.3856, 0.4122], "mean": 0.4396, "spread": 0.1353}, "at": 1789554813}, "tier": 1, "alerts": [], "total_sd": 0.457, "total_ci95": [41.061, 42.818], "relegate_reason": [], "submitted_at": 1789526915, "scored_at": 1789554813, "rank": 2884}, {"candidate_id": "ODC-59C4CA", "res_at": 1787421189, "skeleton": "PPEKOIYLZBMUHI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 41.98, "axes": {"activity": 20.65, "binding": 7.48, "selectivity": 3.4, "admet": 2.74, "novelty": 4.75, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.839, "fraction": 0.688}, "binding": {"pIC50": 6.45, "LE": 0.232, "potency_term": 0.483, "efficiency_cap": 0.775}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.483}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.694, "ld50-zhu": 0.744, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.839171274359424, "aff_pf": -0.44817957282066345, "aff_hs": 0.256412535905838, "repeats_pf": {"runs": 3, "values": [-0.5051, -0.6504, -0.1891], "mean": -0.4482, "spread": 0.4613}, "repeats_hs": {"runs": 3, "values": [0.4837, 0.4317, -0.1462], "mean": 0.2564, "spread": 0.6299}, "at": 1787421189}, "tier": 1, "relegate_reason": [], "submitted_at": 1787420927, "scored_at": 1787421189, "alerts": [], "rank": 2885}, {"candidate_id": "ODC-987F61", "res_at": 1787317149, "skeleton": "GNXNLVSSVSDXMB", "hf_user": "takutoyo", "display_name": "PfD12-09", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 41.964, "axes": {"activity": 19.42, "binding": 10.27, "selectivity": 3.43, "admet": 2.27, "novelty": 4.4, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.765, "fraction": 0.647}, "binding": {"pIC50": 6.71, "LE": 0.27, "potency_term": 0.57, "efficiency_cap": 0.901}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.269, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "3", "pAct_q10": 5.7654536635679445, "aff_pf": -0.7093383272488912, "aff_hs": -0.10673249512910843, "repeats_pf": {"runs": 3, "values": [-0.6378, -0.7997, -0.6905], "mean": -0.7093, "spread": 0.1619}, "repeats_hs": {"runs": 3, "values": [0.0183, -0.3701, 0.0317], "mean": -0.1067, "spread": 0.4018}, "at": 1787317149}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315742, "scored_at": 1787317149, "alerts": [], "rank": 2886}, {"candidate_id": "ODC-CB1D2C", "res_at": 1788609518, "skeleton": "HCCXRWTWFFZRQL", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········(F)c1", "total": 41.962, "axes": {"activity": 16.66, "binding": 11.55, "selectivity": 4.53, "admet": 3.3, "novelty": 3.5, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 6.73, "LE": 0.355, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.439, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.599328926937444, "aff_pf": -0.7327900131543478, "aff_hs": 0.050681782265504204, "repeats_pf": {"runs": 3, "values": [-0.8412, -0.5834, -0.7737], "mean": -0.7328, "spread": 0.2578}, "repeats_hs": {"runs": 3, "values": [0.0651, 0.0593, 0.0276], "mean": 0.0507, "spread": 0.0375}, "at": 1788609518}, "tier": 1, "alerts": [], "total_sd": 1.223, "total_ci95": [39.495, 44.069], "relegate_reason": [], "submitted_at": 1788583601, "scored_at": 1788609518, "rank": 2887}, {"candidate_id": "ODC-5360FF", "res_at": 1789961201, "skeleton": "YWSIFULNNLZLOJ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 41.96, "axes": {"activity": 11.66, "binding": 15.01, "selectivity": 1.92, "admet": 5.61, "novelty": 4.64, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 7.25, "LE": 0.414, "potency_term": 0.75, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.989, "ld50-zhu": 0.488, "herg": 0.274, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.299844726148499, "aff_pf": -1.2509667078653972, "aff_hs": -0.9951287905375162, "repeats_pf": {"runs": 3, "values": [-1.2961, -1.214, -1.2428], "mean": -1.251, "spread": 0.0821}, "repeats_hs": {"runs": 3, "values": [-0.9883, -1.0279, -0.9692], "mean": -0.9951, "spread": 0.0587}, "at": 1789961201}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [41.092, 42.962], "relegate_reason": [], "submitted_at": 1789876216, "scored_at": 1789961201, "rank": 2888}, {"candidate_id": "ODC-F0B1A0", "res_at": 1788581361, "skeleton": "ZKMHOPQOUKTEGY", "hf_user": "Bio-JS", "display_name": "0905-S1-20 MeCF2/CN/Me/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 41.944, "axes": {"activity": 15.6, "binding": 10.1, "selectivity": 8.31, "admet": 3.52, "novelty": 2.17, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.536, "fraction": 0.52}, "binding": {"pIC50": 6.52, "LE": 0.372, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 44.2, "selectivity_term": 0.823, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.515, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.352, "herg": 0.76, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.583, "novelty": 0.417}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.535747217187645, "aff_pf": -0.5150557557741801, "aff_hs": 1.1302505731582642, "repeats_pf": {"runs": 3, "values": [-0.5719, -0.4996, -0.4736], "mean": -0.5151, "spread": 0.0982}, "repeats_hs": {"runs": 3, "values": [1.1998, 1.0542, 1.1367], "mean": 1.1303, "spread": 0.1455}, "at": 1788581361}, "tier": 1, "alerts": [], "total_sd": 0.442, "total_ci95": [41.236, 42.885], "relegate_reason": [], "submitted_at": 1788560310, "scored_at": 1788581361, "rank": 2889}, {"candidate_id": "ODC-B59194", "res_at": 1788769447, "skeleton": "KFIISVWYKGDJDS", "hf_user": "Bio-JS", "display_name": "0906-S1-15 SMe/CN/R6-Me/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.926, "axes": {"activity": 12.93, "binding": 11.57, "selectivity": 8.33, "admet": 3.37, "novelty": 3.35, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 6.74, "LE": 0.369, "potency_term": 0.579, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.5, "selectivity_term": 0.72, "target_engagement": 0.579}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.948, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.493, "herg": 0.526, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.375724729466208, "aff_pf": -0.7359311580657959, "aff_hs": 0.7039153973261515, "repeats_pf": {"runs": 3, "values": [-0.6945, -0.7578, -0.7555], "mean": -0.7359, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [0.6758, 0.7133, 0.7227], "mean": 0.7039, "spread": 0.0469}, "at": 1788769447}, "tier": 1, "alerts": [], "total_sd": 0.392, "total_ci95": [41.0, 42.511], "relegate_reason": [], "submitted_at": 1788665995, "scored_at": 1788769447, "rank": 2890}, {"candidate_id": "ODC-21F2AB", "res_at": 1787039786, "skeleton": "XYQSYVUYAASPQB", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 41.923, "axes": {"activity": 12.5, "binding": 12.14, "selectivity": 8.41, "admet": 1.99, "novelty": 4.05, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.35, "fraction": 0.417}, "binding": {"pIC50": 6.82, "LE": 0.322, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.3, "selectivity_term": 0.693, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.218, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.316, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.204, "ld50-zhu": 0.504, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.350271320808859, "aff_pf": -0.8206759691238403, "aff_hs": 0.5645356277624766, "repeats_pf": {"runs": 3, "values": [-0.7311, -0.8582, -0.8727], "mean": -0.8207, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [0.4919, 0.5328, 0.6689], "mean": 0.5645, "spread": 0.177}, "at": 1787039786}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035844, "scored_at": 1787039786, "alerts": [], "rank": 2891}, {"candidate_id": "ODC-1C3D63", "res_at": 1786907308, "skeleton": "LJXQFWAEQRJHDI", "hf_user": "1Dmeds", "display_name": "ODC26-R5A-4SMe", "model_name": "Claude Sonnet 4.6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.893, "axes": {"activity": 9.65, "binding": 14.87, "selectivity": 4.34, "admet": 5.55, "novelty": 4.23, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.179, "fraction": 0.322}, "binding": {"pIC50": 7.23, "LE": 0.431, "potency_term": 0.743, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 0.743}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.314, "herg": 0.432, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.179106426928537, "aff_pf": -1.2304584980010986, "aff_hs": -0.6471074422200521, "repeats_pf": {"runs": 3, "values": [-1.1942, -1.2023, -1.2949], "mean": -1.2305, "spread": 0.1006}, "repeats_hs": {"runs": 3, "values": [-0.567, -0.6208, -0.7535], "mean": -0.6471, "spread": 0.1866}, "at": 1786907308}, "tier": 1, "relegate_reason": [], "submitted_at": 1786894723, "scored_at": 1786907308, "alerts": [], "rank": 2892}, {"candidate_id": "ODC-27198F", "res_at": 1788916270, "skeleton": "DJNXAAIKIWYBJA", "hf_user": "Bio-JS", "display_name": "0909-S1-15", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 41.888, "axes": {"activity": 13.4, "binding": 11.32, "selectivity": 7.96, "admet": 3.93, "novelty": 2.78, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 6.7, "LE": 0.382, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.5, "selectivity_term": 0.703, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.524, "herg": 0.499, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.403757753023877, "aff_pf": -0.6976897319157919, "aff_hs": 0.7083257436752319, "repeats_pf": {"runs": 3, "values": [-0.8123, -0.5693, -0.7114], "mean": -0.6977, "spread": 0.243}, "repeats_hs": {"runs": 3, "values": [0.8345, 0.5949, 0.6955], "mean": 0.7083, "spread": 0.2396}, "at": 1788916270}, "tier": 1, "alerts": [], "total_sd": 1.343, "total_ci95": [39.662, 44.476], "relegate_reason": [], "submitted_at": 1788903007, "scored_at": 1788916270, "rank": 2893}, {"candidate_id": "ODC-682B45", "res_at": 1789441318, "skeleton": "QLGOVPZXADXGFA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.887, "axes": {"activity": 12.2, "binding": 13.24, "selectivity": 6.54, "admet": 3.68, "novelty": 3.57, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.407}, "binding": {"pIC50": 6.99, "LE": 0.354, "potency_term": 0.662, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.462, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.3319036754621845, "aff_pf": -0.986212968826294, "aff_hs": 0.00183488925298055, "repeats_pf": {"runs": 3, "values": [-0.9428, -0.9871, -1.0287], "mean": -0.9862, "spread": 0.0859}, "repeats_hs": {"runs": 3, "values": [-0.0514, 0.0382, 0.0187], "mean": 0.0018, "spread": 0.0896}, "at": 1789441318}, "tier": 1, "alerts": [], "total_sd": 0.45, "total_ci95": [41.077, 42.809], "relegate_reason": [], "submitted_at": 1789435995, "scored_at": 1789441318, "rank": 2894}, {"candidate_id": "ODC-F0EED1", "res_at": 1789181799, "skeleton": "DPMALENSLCXSDV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 41.886, "axes": {"activity": 16.17, "binding": 11.4, "selectivity": 4.98, "admet": 3.92, "novelty": 2.95, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 6.71, "LE": 0.368, "potency_term": 0.57, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.437, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.557, "cyp2c9-veith": 0.53, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.648, "herg": 0.262, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.57020506118424, "aff_pf": -0.7103843490282694, "aff_hs": 0.16378484666347504, "repeats_pf": {"runs": 3, "values": [-0.7335, -0.6971, -0.7006], "mean": -0.7104, "spread": 0.0364}, "repeats_hs": {"runs": 3, "values": [0.1062, 0.1879, 0.1972], "mean": 0.1638, "spread": 0.091}, "at": 1789181799}, "tier": 1, "alerts": [], "total_sd": 0.233, "total_ci95": [41.463, 42.367], "relegate_reason": [], "submitted_at": 1789174283, "scored_at": 1789181799, "rank": 2895}, {"candidate_id": "ODC-275A2F", "res_at": 1788139325, "skeleton": "UOUWAAZDJXMBOD", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-09]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.883, "axes": {"activity": 8.19, "binding": 15.03, "selectivity": 6.21, "admet": 5.63, "novelty": 3.76, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.091, "fraction": 0.273}, "binding": {"pIC50": 7.25, "LE": 0.382, "potency_term": 0.752, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.752}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.52, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.708, "herg": 0.421, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.091423564425783, "aff_pf": -1.254626949628194, "aff_hs": -0.42874197165171307, "repeats_pf": {"runs": 3, "values": [-1.3509, -1.2714, -1.1415], "mean": -1.2546, "spread": 0.2094}, "repeats_hs": {"runs": 3, "values": [-0.5112, -0.4884, -0.2867], "mean": -0.4287, "spread": 0.2245}, "at": 1788139325}, "tier": 1, "alerts": [], "total_sd": 1.161, "total_ci95": [39.785, 44.075], "relegate_reason": [], "submitted_at": 1788138741, "scored_at": 1788139325, "rank": 2896}, {"candidate_id": "ODC-E3B43F", "res_at": 1789385533, "skeleton": "CRPHSNAQEIDNHP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.881, "axes": {"activity": 15.68, "binding": 11.27, "selectivity": 5.81, "admet": 3.67, "novelty": 3.06, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.541, "fraction": 0.523}, "binding": {"pIC50": 6.69, "LE": 0.327, "potency_term": 0.563, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.516, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.761, "cyp2c9-veith": 0.425, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.489, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.457, "novelty": 0.543}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.5405395310979335, "aff_pf": -0.6898307601610819, "aff_hs": 0.3417746126651764, "repeats_pf": {"runs": 3, "values": [-0.5578, -0.7352, -0.7765], "mean": -0.6898, "spread": 0.2187}, "repeats_hs": {"runs": 3, "values": [0.2756, 0.4062, 0.3435], "mean": 0.3418, "spread": 0.1307}, "at": 1789385533}, "tier": 1, "alerts": [], "total_sd": 1.203, "total_ci95": [39.318, 43.862], "relegate_reason": [], "submitted_at": 1789366273, "scored_at": 1789385533, "rank": 2897}, {"candidate_id": "ODC-BF33F9", "res_at": 1789913083, "skeleton": "GVHVIRPOZPYHCY", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 41.879, "axes": {"activity": 21.09, "binding": 7.21, "selectivity": 4.14, "admet": 2.92, "novelty": 4.66, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 6.37, "LE": 0.236, "potency_term": 0.458, "efficiency_cap": 0.787}, "selectivity": {"fold": 8.0, "selectivity_term": 0.451, "target_engagement": 0.458}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.541, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.953, "herg": 0.05, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "2", "pAct_q10": 5.865109514407533, "aff_pf": -0.3744853337605794, "aff_hs": 0.5282694598038992, "repeats_pf": {"runs": 3, "values": [-0.3632, -0.3612, -0.3991], "mean": -0.3745, "spread": 0.0379}, "repeats_hs": {"runs": 3, "values": [0.615, 0.4249, 0.5449], "mean": 0.5283, "spread": 0.1901}, "at": 1789913083}, "tier": 1, "alerts": [], "total_sd": 0.246, "total_ci95": [41.406, 42.412], "relegate_reason": [], "submitted_at": 1789837527, "scored_at": 1789913083, "rank": 2898}, {"candidate_id": "ODC-5B60BB", "res_at": 1788158025, "skeleton": "HSSJPFOYUMBHJR", "hf_user": "Jaewonismyname", "display_name": "Antigravity_Opt", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.873, "axes": {"activity": 5.47, "binding": 15.84, "selectivity": 8.09, "admet": 5.61, "novelty": 3.68, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 4.928, "fraction": 0.182}, "binding": {"pIC50": 7.38, "LE": 0.374, "potency_term": 0.792, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.792}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.606, "ld50-zhu": 0.786, "herg": 0.168, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 4.928084323581612, "aff_pf": -1.3762561082839966, "aff_hs": -0.3545396327972412, "repeats_pf": {"runs": 3, "values": [-1.3229, -1.4311, -1.3748], "mean": -1.3763, "spread": 0.1082}, "repeats_hs": {"runs": 3, "values": [-0.3774, -0.3729, -0.3133], "mean": -0.3545, "spread": 0.0641}, "at": 1788158025}, "tier": 1, "alerts": [], "total_sd": 0.588, "total_ci95": [40.808, 42.972], "relegate_reason": [], "submitted_at": 1788152294, "scored_at": 1788158025, "rank": 2899}, {"candidate_id": "ODC-DA1EF4", "res_at": 1786755412, "skeleton": "MGPJXRJVPQEHDI", "hf_user": "Warecube", "display_name": "Warecube", "model_name": "OpenAI 5.6 SOL", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(OC(F)(F)F)c(F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 41.87, "axes": {"activity": 14.89, "binding": 13.39, "selectivity": 4.43, "admet": 4.1, "novelty": 2.03, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.493, "fraction": 0.496}, "binding": {"pIC50": 7.01, "LE": 0.356, "potency_term": 0.669, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.264, "ld50-zhu": 0.487, "herg": 0.053, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.4931988254751225, "aff_pf": -1.007946491241455, "aff_hs": -0.34578853845596313, "at": 1786755412}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753740, "scored_at": 1786755412, "alerts": [], "rank": 2900}, {"candidate_id": "ODC-E17710", "res_at": 1787317343, "skeleton": "SGWYOMBCGAHOII", "hf_user": "takutoyo", "display_name": "PfD12-10", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 41.869, "axes": {"activity": 20.42, "binding": 9.28, "selectivity": 2.78, "admet": 2.44, "novelty": 4.57, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.825, "fraction": 0.681}, "binding": {"pIC50": 6.58, "LE": 0.265, "potency_term": 0.525, "efficiency_cap": 0.883}, "selectivity": {"fold": 3.4, "selectivity_term": 0.265, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.464, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.825359071291498, "aff_pf": -0.5754990180333456, "aff_hs": -0.04627193510532379, "repeats_pf": {"runs": 3, "values": [-0.5979, -0.5615, -0.5671], "mean": -0.5755, "spread": 0.0364}, "repeats_hs": {"runs": 3, "values": [-0.0408, -0.0093, -0.0887], "mean": -0.0463, "spread": 0.0794}, "at": 1787317343}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315754, "scored_at": 1787317343, "alerts": [], "rank": 2901}, {"candidate_id": "ODC-7E91C2", "res_at": 1788430386, "skeleton": "NCDXPYWVDAZKTD", "hf_user": "Bio-JS", "display_name": "0903-S1-11 oF_mF/cPr/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.868, "axes": {"activity": 20.81, "binding": 8.67, "selectivity": 1.32, "admet": 3.29, "novelty": 4.75, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.849, "fraction": 0.694}, "binding": {"pIC50": 6.53, "LE": 0.255, "potency_term": 0.509, "efficiency_cap": 0.852}, "selectivity": {"fold": 1.8, "selectivity_term": 0.13, "target_engagement": 0.509}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.78, "herg": 0.05, "dili": 0.285}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.848547457200378, "aff_pf": -0.5269308487574259, "aff_hs": -0.26726222038269043, "repeats_pf": {"runs": 3, "values": [-0.5634, -0.4978, -0.5196], "mean": -0.5269, "spread": 0.0656}, "repeats_hs": {"runs": 3, "values": [-0.1402, -0.3449, -0.3167], "mean": -0.2673, "spread": 0.2047}, "at": 1788430386}, "tier": 1, "alerts": [], "total_sd": 0.332, "total_ci95": [41.292, 42.613], "relegate_reason": [], "submitted_at": 1788362754, "scored_at": 1788430386, "rank": 2902}, {"candidate_id": "ODC-3BE76D", "res_at": 1789121724, "skeleton": "VSGUKYALTRTERC", "hf_user": "Bio-JS", "display_name": "0911-S1-x_CCS_b", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.864, "axes": {"activity": 13.61, "binding": 11.56, "selectivity": 6.58, "admet": 3.96, "novelty": 3.63, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 6.73, "LE": 0.355, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.775, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.416533765871804, "aff_pf": -0.7335397601127625, "aff_hs": 0.4044803778330485, "repeats_pf": {"runs": 3, "values": [-0.8135, -0.6794, -0.7077], "mean": -0.7335, "spread": 0.1341}, "repeats_hs": {"runs": 3, "values": [0.4642, 0.3956, 0.3537], "mean": 0.4045, "spread": 0.1106}, "at": 1789121724}, "tier": 1, "alerts": [], "total_sd": 0.76, "total_ci95": [40.676, 43.65], "relegate_reason": [], "submitted_at": 1789117074, "scored_at": 1789121724, "rank": 2903}, {"candidate_id": "ODC-E11C23", "res_at": 1788911644, "skeleton": "LCUPFZCLXAWGNL", "hf_user": "Bio-JS", "display_name": "0909-S1-05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 41.861, "axes": {"activity": 8.74, "binding": 13.79, "selectivity": 7.7, "admet": 5.32, "novelty": 3.45, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.124, "fraction": 0.291}, "binding": {"pIC50": 7.07, "LE": 0.403, "potency_term": 0.689, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.559, "target_engagement": 0.689}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.421, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.366, "herg": 0.454, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.124463633272563, "aff_pf": -1.0681604146957397, "aff_hs": 0.04923608402411143, "repeats_pf": {"runs": 3, "values": [-1.0657, -1.0497, -1.0891], "mean": -1.0682, "spread": 0.0393}, "repeats_hs": {"runs": 3, "values": [0.2307, -0.0071, -0.0759], "mean": 0.0492, "spread": 0.3066}, "at": 1788911644}, "tier": 1, "alerts": [], "total_sd": 0.574, "total_ci95": [40.981, 43.238], "relegate_reason": [], "submitted_at": 1788902918, "scored_at": 1788911644, "rank": 2904}, {"candidate_id": "ODC-E529E7", "res_at": 1786830478, "skeleton": "TVWUQRUTPDVWIO", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "glm-5.3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 41.85, "axes": {"activity": 18.49, "binding": 10.11, "selectivity": 3.19, "admet": 4.2, "novelty": 3.13, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.709, "fraction": 0.616}, "binding": {"pIC50": 6.52, "LE": 0.372, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.315, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.94, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.285, "herg": 0.527, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.709115514445919, "aff_pf": -0.5161780714988708, "aff_hs": 0.11435077587763469, "repeats_pf": {"runs": 3, "values": [-0.5166, -0.4592, -0.5728], "mean": -0.5162, "spread": 0.1136}, "repeats_hs": {"runs": 3, "values": [0.021, 0.0977, 0.2243], "mean": 0.1144, "spread": 0.2033}, "at": 1786830478}, "tier": 1, "relegate_reason": [], "submitted_at": 1786793102, "scored_at": 1786830478, "alerts": [], "rank": 2905}, {"candidate_id": "ODC-B759F2", "res_at": 1789904637, "skeleton": "RCFVIQAYJYJHFT", "hf_user": "Bio-JS", "display_name": "0918-S1-div15", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.848, "axes": {"activity": 16.13, "binding": 9.84, "selectivity": 5.77, "admet": 4.18, "novelty": 3.56, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 6.48, "LE": 0.329, "potency_term": 0.492, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.9, "selectivity_term": 0.586, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.815, "ld50-zhu": 0.779, "herg": 0.162, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.567531519888544, "aff_pf": -0.47551580270131427, "aff_hs": 0.6972202658653259, "repeats_pf": {"runs": 3, "values": [-0.4018, -0.5182, -0.5066], "mean": -0.4755, "spread": 0.1164}, "repeats_hs": {"runs": 3, "values": [0.7493, 0.7454, 0.5969], "mean": 0.6972, "spread": 0.1524}, "at": 1789904637}, "tier": 1, "alerts": [], "total_sd": 0.533, "total_ci95": [40.724, 42.711], "relegate_reason": [], "submitted_at": 1789687047, "scored_at": 1789904637, "rank": 2906}, {"candidate_id": "ODC-7A92A1", "res_at": 1786934420, "skeleton": "VHLKKIOLOBQVIW", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 41.844, "axes": {"activity": 13.02, "binding": 12.2, "selectivity": 9.07, "admet": 2.38, "novelty": 2.22, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 6.83, "LE": 0.302, "potency_term": 0.61, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.7, "selectivity_term": 0.744, "target_engagement": 0.61}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.156, "ld50-zhu": 0.556, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "2", "pAct_q10": 5.381225342986804, "aff_pf": -0.8305333058039347, "aff_hs": 0.6565295656522115, "repeats_pf": {"runs": 3, "values": [-0.7928, -0.8325, -0.8663], "mean": -0.8305, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.6316, 0.6439, 0.6941], "mean": 0.6565, "spread": 0.0625}, "at": 1786934420}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925676, "scored_at": 1786934420, "alerts": [], "rank": 2907}, {"candidate_id": "ODC-EEAD96", "res_at": 1788546515, "skeleton": "KJHKPHANJCFPRK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.811, "axes": {"activity": 11.88, "binding": 14.84, "selectivity": 5.3, "admet": 4.38, "novelty": 1.85, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 5.313, "fraction": 0.396}, "binding": {"pIC50": 7.23, "LE": 0.396, "potency_term": 0.742, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.357, "target_engagement": 0.742}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.098, "ld50-zhu": 0.815, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.75, "novelty": 0.25}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.312859329796762, "aff_pf": -1.2255900303522747, "aff_hs": -0.5115121603012085, "repeats_pf": {"runs": 3, "values": [-1.207, -1.2639, -1.2059], "mean": -1.2256, "spread": 0.0581}, "repeats_hs": {"runs": 3, "values": [-0.4148, -0.5372, -0.5825], "mean": -0.5115, "spread": 0.1677}, "at": 1788546515}, "tier": 1, "alerts": [], "total_sd": 0.472, "total_ci95": [40.998, 42.924], "relegate_reason": [], "submitted_at": 1788495812, "scored_at": 1788546515, "rank": 2908}, {"candidate_id": "ODC-50A947", "res_at": 1787255818, "skeleton": "HDLFZCDEGAWEFX", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(C(F)(F)F)nc2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 41.807, "axes": {"activity": 9.59, "binding": 15.25, "selectivity": 7.79, "admet": 5.79, "novelty": 0.0, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.175, "fraction": 0.32}, "binding": {"pIC50": 7.29, "LE": 0.399, "potency_term": 0.762, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.914, "cyp3a4-substrate-carbonmangels": 0.375, "ld50-zhu": 0.453, "herg": 0.267, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.175338758699877, "aff_pf": -1.2869921922683716, "aff_hs": -0.26503782471021015, "repeats_pf": {"runs": 3, "values": [-1.262, -1.2618, -1.3371], "mean": -1.287, "spread": 0.0753}, "repeats_hs": {"runs": 3, "values": [-0.316, -0.2787, -0.2004], "mean": -0.265, "spread": 0.1156}, "at": 1787255818}, "tier": 1, "relegate_reason": [], "submitted_at": 1787253558, "scored_at": 1787255818, "alerts": [], "rank": 2909}, {"candidate_id": "ODC-BCCC1A", "res_at": 1786976533, "skeleton": "YNMILQQDRBHRAY", "hf_user": "takutoyo", "display_name": "PfD3-03", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 41.787, "axes": {"activity": 15.76, "binding": 11.06, "selectivity": 6.87, "admet": 2.78, "novelty": 2.81, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.546, "fraction": 0.525}, "binding": {"pIC50": 6.66, "LE": 0.338, "potency_term": 0.553, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.4, "selectivity_term": 0.621, "target_engagement": 0.553}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.605, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.405, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.761, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.545624493150884, "aff_pf": -0.6591857473055521, "aff_hs": 0.5823824008305868, "repeats_pf": {"runs": 3, "values": [-0.5962, -0.6216, -0.7598], "mean": -0.6592, "spread": 0.1636}, "repeats_hs": {"runs": 3, "values": [0.6799, 0.6064, 0.4609], "mean": 0.5824, "spread": 0.219}, "at": 1786976533}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975633, "scored_at": 1786976533, "alerts": [], "rank": 2910}, {"candidate_id": "ODC-A75A2A", "res_at": 1787492858, "skeleton": "QXHQGWZUBOMNSR", "hf_user": "takutoyo", "display_name": "PfD15-07", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········)c2n1", "total": 41.768, "axes": {"activity": 21.97, "binding": 7.83, "selectivity": 2.77, "admet": 2.72, "novelty": 3.91, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.918, "fraction": 0.732}, "binding": {"pIC50": 6.44, "LE": 0.245, "potency_term": 0.479, "efficiency_cap": 0.817}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.508, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.91806569878151, "aff_pf": -0.4379650155703227, "aff_hs": 0.1394042819738388, "repeats_pf": {"runs": 3, "values": [-0.665, -0.2982, -0.3507], "mean": -0.438, "spread": 0.3669}, "repeats_hs": {"runs": 3, "values": [0.045, 0.1834, 0.1897], "mean": 0.1394, "spread": 0.1447}, "at": 1787492858}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491546, "scored_at": 1787492858, "alerts": [], "rank": 2911}, {"candidate_id": "ODC-C5B606", "res_at": 1786935187, "skeleton": "SJGVJPQDIOSRKV", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 41.767, "axes": {"activity": 19.32, "binding": 10.47, "selectivity": 1.73, "admet": 3.22, "novelty": 4.15, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.759, "fraction": 0.644}, "binding": {"pIC50": 6.57, "LE": 0.31, "potency_term": 0.523, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.165, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.498, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.507, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.759338734006592, "aff_pf": -0.5697579979896545, "aff_hs": -0.23897797365983328, "repeats_pf": {"runs": 3, "values": [-0.5736, -0.5851, -0.5506], "mean": -0.5698, "spread": 0.0345}, "repeats_hs": {"runs": 3, "values": [-0.2775, -0.2688, -0.1707], "mean": -0.239, "spread": 0.1068}, "at": 1786935187}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925683, "scored_at": 1786935187, "alerts": [], "rank": 2912}, {"candidate_id": "ODC-1CC987", "res_at": 1787045331, "skeleton": "SXZHSEKYXLVXNK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 41.763, "axes": {"activity": 22.76, "binding": 4.08, "selectivity": 1.4, "admet": 5.7, "novelty": 4.79, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.966, "fraction": 0.759}, "binding": {"pIC50": 5.61, "LE": 0.32, "potency_term": 0.204, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.204}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.331, "cyp3a4-substrate-carbonmangels": 0.484, "ld50-zhu": 0.462, "herg": 0.823, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "2", "pAct_q10": 5.965741676837789, "aff_pf": 0.3875238597393036, "aff_hs": 1.0711486339569092, "repeats_pf": {"runs": 3, "values": [0.5444, -0.3676, 0.9858], "mean": 0.3875, "spread": 1.3534}, "repeats_hs": {"runs": 3, "values": [0.9373, 0.9375, 1.3386], "mean": 1.0711, "spread": 0.4013}, "at": 1787045331}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039437, "scored_at": 1787045331, "alerts": [], "rank": 2913}, {"candidate_id": "ODC-732CEB", "res_at": 1787702964, "skeleton": "IPNVDUAHJFAHLN", "hf_user": "Bio-JS", "display_name": "요인 S고리 × 메톡시메틸", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCC1(c··········)CSC1", "total": 41.763, "axes": {"activity": 15.75, "binding": 9.2, "selectivity": 8.97, "admet": 2.19, "novelty": 3.58, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 6.71, "LE": 0.242, "potency_term": 0.57, "efficiency_cap": 0.806}, "selectivity": {"fold": 37.4, "selectivity_term": 0.787, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.337, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.238}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.544922957131827, "aff_pf": -0.7105363210042318, "aff_hs": 0.862628181775411, "repeats_pf": {"runs": 3, "values": [-0.412, -0.6553, -1.0643], "mean": -0.7105, "spread": 0.6523}, "repeats_hs": {"runs": 3, "values": [0.7697, 0.7798, 1.0384], "mean": 0.8626, "spread": 0.2687}, "at": 1787702964}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702752, "scored_at": 1787702964, "alerts": [], "rank": 2914}, {"candidate_id": "ODC-8CFA18", "res_at": 1787086131, "skeleton": "NWODRXGQGJCFDK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 41.755, "axes": {"activity": 12.25, "binding": 11.85, "selectivity": 8.84, "admet": 2.66, "novelty": 3.5, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.408}, "binding": {"pIC50": 6.78, "LE": 0.404, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.1, "selectivity_term": 0.746, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.325, "cyp2c9-veith": 0.059, "cyp3a4-substrate-carbonmangels": 0.615, "ld50-zhu": 0.374, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.334768598725942, "aff_pf": -0.7768078645070394, "aff_hs": 0.7157451709111532, "repeats_pf": {"runs": 3, "values": [-0.5969, -0.8876, -0.846], "mean": -0.7768, "spread": 0.2907}, "repeats_hs": {"runs": 3, "values": [0.792, 0.528, 0.8272], "mean": 0.7157, "spread": 0.2992}, "at": 1787086131}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074210, "scored_at": 1787086131, "alerts": [], "rank": 2915}, {"candidate_id": "ODC-456788", "res_at": 1787425121, "skeleton": "SEXMYTCJJGWWAB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 41.737, "axes": {"activity": 19.71, "binding": 8.83, "selectivity": 3.51, "admet": 2.5, "novelty": 4.4, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.657}, "binding": {"pIC50": 6.66, "LE": 0.24, "potency_term": 0.552, "efficiency_cap": 0.8}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.475, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.557, "ld50-zhu": 0.763, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.782328287770526, "aff_pf": -0.6559046308199564, "aff_hs": -0.020623867710431416, "repeats_pf": {"runs": 3, "values": [-0.6908, -0.5347, -0.7422], "mean": -0.6559, "spread": 0.2076}, "repeats_hs": {"runs": 3, "values": [-0.0264, 0.0766, -0.1121], "mean": -0.0206, "spread": 0.1887}, "at": 1787425121}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424310, "scored_at": 1787425121, "alerts": [], "rank": 2916}, {"candidate_id": "ODC-D10835", "res_at": 1789996746, "skeleton": "YUKNPMKQTCBNGD", "hf_user": "Bio-JS", "display_name": "0921-S1-23", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········3)cc1", "total": 41.737, "axes": {"activity": 10.52, "binding": 13.49, "selectivity": 6.37, "admet": 5.28, "novelty": 3.0, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 7.02, "LE": 0.401, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.472, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.563, "cyp3a4-substrate-carbonmangels": 0.594, "ld50-zhu": 0.388, "herg": 0.597, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.2311142426396415, "aff_pf": -1.024139364560445, "aff_hs": -0.08029854794343312, "repeats_pf": {"runs": 3, "values": [-1.017, -1.002, -1.0534], "mean": -1.0241, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [-0.0429, -0.0867, -0.1113], "mean": -0.0803, "spread": 0.0683}, "at": 1789996746}, "tier": 1, "alerts": [], "total_sd": 0.281, "total_ci95": [41.26, 42.272], "relegate_reason": [], "submitted_at": 1789990447, "scored_at": 1789996746, "rank": 2917}, {"candidate_id": "ODC-74347B", "res_at": 1787086678, "skeleton": "CWEPSGKDXRXJCG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 41.728, "axes": {"activity": 17.01, "binding": 10.03, "selectivity": 6.18, "admet": 2.72, "novelty": 3.27, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.621, "fraction": 0.567}, "binding": {"pIC50": 6.51, "LE": 0.387, "potency_term": 0.502, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.616, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.962, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.384, "ld50-zhu": 0.414, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.620671460113239, "aff_pf": -0.5051598250865936, "aff_hs": 0.7259411215782166, "repeats_pf": {"runs": 3, "values": [-0.6165, -0.2293, -0.6697], "mean": -0.5052, "spread": 0.4404}, "repeats_hs": {"runs": 3, "values": [0.791, 0.6136, 0.7733], "mean": 0.7259, "spread": 0.1774}, "at": 1787086678}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074235, "scored_at": 1787086678, "alerts": [], "rank": 2918}, {"candidate_id": "ODC-A11248", "res_at": 1787620720, "skeleton": "OANVISCHGOGZMG", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-(2-플루오로에틸)옥세탄-3-일 (가지F 확장)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.712, "axes": {"activity": 15.89, "binding": 9.85, "selectivity": 7.64, "admet": 2.57, "novelty": 3.68, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.553, "fraction": 0.53}, "binding": {"pIC50": 6.81, "LE": 0.245, "potency_term": 0.602, "efficiency_cap": 0.818}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.282, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.285, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.05, "dili": 0.33}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.55320990253116, "aff_pf": -0.8057788610458374, "aff_hs": 0.4632546404997508, "repeats_pf": {"runs": 3, "values": [-0.8614, -0.6975, -0.8584], "mean": -0.8058, "spread": 0.1638}, "repeats_hs": {"runs": 3, "values": [0.4402, 0.445, 0.5046], "mean": 0.4633, "spread": 0.0643}, "at": 1787620720}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618676, "scored_at": 1787620720, "alerts": [], "rank": 2919}, {"candidate_id": "ODC-CA82D5", "res_at": 1787422165, "skeleton": "PXBIXDPBFHFHCA", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 41.679, "axes": {"activity": 17.2, "binding": 8.23, "selectivity": 7.6, "admet": 2.3, "novelty": 3.8, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.632, "fraction": 0.573}, "binding": {"pIC50": 6.53, "LE": 0.242, "potency_term": 0.511, "efficiency_cap": 0.806}, "selectivity": {"fold": 30.8, "selectivity_term": 0.744, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.646, "ld50-zhu": 0.772, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.631749154791588, "aff_pf": -0.5321328043937683, "aff_hs": 0.9564235210418701, "repeats_pf": {"runs": 3, "values": [-0.5861, -0.5507, -0.4596], "mean": -0.5321, "spread": 0.1265}, "repeats_hs": {"runs": 3, "values": [0.5109, 1.3355, 1.0229], "mean": 0.9564, "spread": 0.8245}, "at": 1787422165}, "tier": 1, "relegate_reason": [], "submitted_at": 1787421030, "scored_at": 1787422165, "alerts": [], "rank": 2920}, {"candidate_id": "ODC-C745F1", "res_at": 1787215194, "skeleton": "DAZQZPSPABZIQU", "hf_user": "injaeryou", "display_name": "Injae Ryou", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········[nH]1", "total": 41.673, "axes": {"activity": 9.65, "binding": 12.46, "selectivity": 7.0, "admet": 5.47, "novelty": 4.04, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.179, "fraction": 0.322}, "binding": {"pIC50": 6.87, "LE": 0.428, "potency_term": 0.623, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.623}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.55, "herg": 0.46, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.179260527218491, "aff_pf": -0.8684249718983968, "aff_hs": 0.2558525701363881, "repeats_pf": {"runs": 3, "values": [-0.8637, -0.837, -0.9046], "mean": -0.8684, "spread": 0.0676}, "repeats_hs": {"runs": 3, "values": [0.2757, 0.2689, 0.223], "mean": 0.2559, "spread": 0.0527}, "at": 1787215194}, "tier": 1, "relegate_reason": [], "submitted_at": 1787214134, "scored_at": 1787215194, "alerts": [], "rank": 2921}, {"candidate_id": "ODC-29F2E3", "res_at": 1787726752, "skeleton": "QYFUXPKWNMUZCR", "hf_user": "Moonweave", "display_name": "M5AI-P12-ME-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········F)c1C", "total": 41.668, "axes": {"activity": 16.97, "binding": 13.61, "selectivity": 1.34, "admet": 2.47, "novelty": 4.2, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.566}, "binding": {"pIC50": 7.04, "LE": 0.322, "potency_term": 0.681, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.099, "target_engagement": 0.681}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.05, "dili": 0.348}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.618332280981878, "aff_pf": -1.042225182056427, "aff_hs": -0.8451403975486755, "repeats_pf": {"runs": 3, "values": [-0.9739, -0.9457, -1.207], "mean": -1.0422, "spread": 0.2613}, "repeats_hs": {"runs": 3, "values": [-0.9096, -0.8065, -0.8193], "mean": -0.8451, "spread": 0.1031}, "at": 1787726752}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726022, "scored_at": 1787726752, "alerts": [], "rank": 2922}, {"candidate_id": "ODC-8E49C7", "res_at": 1789303924, "skeleton": "WQSUHYRXHBEVTK", "hf_user": "trblnfxn", "display_name": "NC-WIN-03_cHexButyl", "model_name": "Hermes-500Da-Champion-v7", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.648, "axes": {"activity": 25.58, "binding": 4.02, "selectivity": 0.06, "admet": 2.93, "novelty": 5.26, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.135, "fraction": 0.853}, "binding": {"pIC50": 5.76, "LE": 0.239, "potency_term": 0.253, "efficiency_cap": 0.797}, "selectivity": {"fold": 1.1, "selectivity_term": 0.013, "target_engagement": 0.253}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.414, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.052, "ld50-zhu": 0.829, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 6.135059895504011, "aff_pf": 0.24231710036595663, "aff_hs": 0.267740823328495, "repeats_pf": {"runs": 3, "values": [0.1726, 0.2761, 0.2783], "mean": 0.2423, "spread": 0.1057}, "repeats_hs": {"runs": 3, "values": [0.3044, 0.1176, 0.3813], "mean": 0.2677, "spread": 0.2637}, "at": 1789303924}, "tier": 1, "alerts": [], "total_sd": 0.259, "total_ci95": [41.373, 42.269], "relegate_reason": [], "submitted_at": 1789299095, "scored_at": 1789303924, "rank": 2923}, {"candidate_id": "ODC-DCF804", "res_at": 1787041510, "skeleton": "IHSGRBFMXTURJW", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 41.647, "axes": {"activity": 16.35, "binding": 12.17, "selectivity": 4.28, "admet": 2.9, "novelty": 3.42, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.581, "fraction": 0.545}, "binding": {"pIC50": 6.83, "LE": 0.374, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.346, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.619, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.581219977480556, "aff_pf": -0.826021413008372, "aff_hs": -0.12221879760424297, "repeats_pf": {"runs": 3, "values": [-0.736, -0.9646, -0.7774], "mean": -0.826, "spread": 0.2286}, "repeats_hs": {"runs": 3, "values": [-0.1052, -0.0746, -0.1868], "mean": -0.1222, "spread": 0.1122}, "at": 1787041510}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038293, "scored_at": 1787041510, "alerts": [], "rank": 2924}, {"candidate_id": "ODC-BA5134", "res_at": 1790018704, "skeleton": "VHGNRVSXYXAPPO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.612, "axes": {"activity": 14.69, "binding": 10.73, "selectivity": 7.17, "admet": 4.23, "novelty": 3.02, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.61, "LE": 0.377, "potency_term": 0.537, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.7, "selectivity_term": 0.668, "target_engagement": 0.537}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.188, "ld50-zhu": 0.622, "herg": 0.77, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "2", "pAct_q10": 5.481597913678395, "aff_pf": -0.6097778876622518, "aff_hs": 0.7267295320828756, "repeats_pf": {"runs": 3, "values": [-0.634, -0.6343, -0.561], "mean": -0.6098, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [0.757, 0.7102, 0.7129], "mean": 0.7267, "spread": 0.0468}, "at": 1790018704}, "tier": 1, "alerts": [], "total_sd": 0.425, "total_ci95": [40.991, 42.236], "relegate_reason": [], "submitted_at": 1790008954, "scored_at": 1790018704, "rank": 2925}, {"candidate_id": "ODC-23B555", "res_at": 1789564687, "skeleton": "ZBIGWAGPUUBVOO", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 41.606, "axes": {"activity": 14.07, "binding": 11.85, "selectivity": 6.25, "admet": 3.89, "novelty": 4.0, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 6.83, "LE": 0.292, "potency_term": 0.608, "efficiency_cap": 0.974}, "selectivity": {"fold": 10.6, "selectivity_term": 0.513, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.364, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.944, "cyp2c9-veith": 0.346, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.729, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "0", "pAct_q10": 5.444319012499778, "aff_pf": -0.8250419497489929, "aff_hs": 0.2015396604935328, "repeats_pf": {"runs": 3, "values": [-0.7729, -0.8726, -0.8296], "mean": -0.825, "spread": 0.0997}, "repeats_hs": {"runs": 3, "values": [0.1994, 0.248, 0.1573], "mean": 0.2015, "spread": 0.0907}, "at": 1789564687}, "tier": 1, "alerts": [], "total_sd": 0.592, "total_ci95": [40.353, 42.772], "relegate_reason": [], "submitted_at": 1789563142, "scored_at": 1789564687, "rank": 2926}, {"candidate_id": "ODC-C51F32", "res_at": 1786846639, "skeleton": "XEHDQDXKQDNRJT", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Opus-5", "mw_band": "400-450", "visibility": "public", "smiles": "CSc1nc2nc(Br)cc(Nc3ccc(Br)cc3)n2n1", "smiles_masked": null, "total": 41.59, "axes": {"activity": 15.23, "binding": 11.05, "selectivity": 6.53, "admet": 4.0, "novelty": 2.19, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.514, "fraction": 0.508}, "binding": {"pIC50": 6.66, "LE": 0.456, "potency_term": 0.552, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.2, "selectivity_term": 0.591, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.316, "herg": 0.412, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.604, "novelty": 0.396}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "2", "pAct_q10": 5.513809044904602, "aff_pf": -0.6572357614835104, "aff_hs": 0.5244382619857788, "repeats_pf": {"runs": 3, "values": [-0.63, -0.6277, -0.7141], "mean": -0.6572, "spread": 0.0864}, "repeats_hs": {"runs": 3, "values": [0.6319, 0.5184, 0.423], "mean": 0.5244, "spread": 0.2089}, "at": 1786846639}, "tier": 1, "relegate_reason": [], "submitted_at": 1786844182, "scored_at": 1786846639, "alerts": [], "rank": 2927}, {"candidate_id": "ODC-133748", "res_at": 1787497920, "skeleton": "OHHWERQSFSKQPF", "hf_user": "takutoyo", "display_name": "PfD15-26", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 41.588, "axes": {"activity": 11.61, "binding": 14.81, "selectivity": 5.39, "admet": 2.63, "novelty": 4.6, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.387}, "binding": {"pIC50": 7.27, "LE": 0.293, "potency_term": 0.758, "efficiency_cap": 0.977}, "selectivity": {"fold": 5.1, "selectivity_term": 0.355, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.425, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.474, "herg": 0.05, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.296477963405669, "aff_pf": -1.2738675276438396, "aff_hs": -0.5630606909592947, "repeats_pf": {"runs": 3, "values": [-1.3024, -1.2999, -1.2193], "mean": -1.2739, "spread": 0.0831}, "repeats_hs": {"runs": 3, "values": [-0.7843, -0.547, -0.3579], "mean": -0.5631, "spread": 0.4264}, "at": 1787497920}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491778, "scored_at": 1787497920, "alerts": [], "rank": 2928}, {"candidate_id": "ODC-54DC75", "res_at": 1787418329, "skeleton": "HSDDWBBINWFCPK", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R12", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 41.577, "axes": {"activity": 20.95, "binding": 6.2, "selectivity": 4.25, "admet": 2.4, "novelty": 4.39, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 6.1, "LE": 0.253, "potency_term": 0.367, "efficiency_cap": 0.844}, "selectivity": {"fold": 14.4, "selectivity_term": 0.579, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.056, "caco2-wang": 0.395, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.483, "herg": 0.05, "dili": 0.343}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.856887638351209, "aff_pf": -0.10156258940696716, "aff_hs": 1.0555895169576008, "repeats_pf": {"runs": 3, "values": [-0.1319, -0.0504, -0.1224], "mean": -0.1016, "spread": 0.0814}, "repeats_hs": {"runs": 3, "values": [0.9753, 1.075, 1.1165], "mean": 1.0556, "spread": 0.1412}, "at": 1787418329}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412410, "scored_at": 1787418329, "alerts": [], "rank": 2929}, {"candidate_id": "ODC-02E821", "res_at": 1787506407, "skeleton": "NJCZCHYEYPVBEQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.567, "axes": {"activity": 20.14, "binding": 6.65, "selectivity": 3.95, "admet": 3.24, "novelty": 4.51, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.809, "fraction": 0.671}, "binding": {"pIC50": 6.23, "LE": 0.244, "potency_term": 0.409, "efficiency_cap": 0.813}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.409}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.85, "ld50-zhu": 0.546, "herg": 0.05, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.8085741239227096, "aff_pf": -0.22784724831581116, "aff_hs": 0.7371794780095419, "repeats_pf": {"runs": 3, "values": [-0.2963, -0.1892, -0.1981], "mean": -0.2278, "spread": 0.1071}, "repeats_hs": {"runs": 3, "values": [0.7465, 0.7688, 0.6962], "mean": 0.7372, "spread": 0.0726}, "at": 1787506407}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497989, "scored_at": 1787506407, "alerts": [], "rank": 2930}, {"candidate_id": "ODC-3CB644", "res_at": 1787228472, "skeleton": "KATDWWCNGHZUER", "hf_user": "takutoyo", "display_name": "PfD10-07", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 41.564, "axes": {"activity": 19.44, "binding": 10.2, "selectivity": 1.95, "admet": 3.51, "novelty": 3.67, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.766, "fraction": 0.648}, "binding": {"pIC50": 6.53, "LE": 0.308, "potency_term": 0.51, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.51}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.874, "ld50-zhu": 0.61, "herg": 0.075, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.7662645802898, "aff_pf": -0.5294706324736277, "aff_hs": -0.14719440788030624, "repeats_pf": {"runs": 3, "values": [-0.4946, -0.5249, -0.569], "mean": -0.5295, "spread": 0.0744}, "repeats_hs": {"runs": 3, "values": [-0.098, -0.2145, -0.1291], "mean": -0.1472, "spread": 0.1166}, "at": 1787228472}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227225, "scored_at": 1787228472, "alerts": [], "rank": 2931}, {"candidate_id": "ODC-B67F2B", "res_at": 1786853711, "skeleton": "WEONPIJADOQVIJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCOC··········nc2n1", "total": 41.556, "axes": {"activity": 16.5, "binding": 10.86, "selectivity": 5.82, "admet": 3.57, "novelty": 2.94, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.59, "fraction": 0.55}, "binding": {"pIC50": 6.63, "LE": 0.313, "potency_term": 0.543, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.543}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.293, "ld50-zhu": 0.476, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "2", "pAct_q10": 5.589881267572018, "aff_pf": -0.6296284596125284, "aff_hs": 0.4411732355753581, "repeats_pf": {"runs": 3, "values": [-0.7339, -0.6184, -0.5365], "mean": -0.6296, "spread": 0.1974}, "repeats_hs": {"runs": 3, "values": [0.4461, 0.4357, 0.4418], "mean": 0.4412, "spread": 0.0104}, "at": 1786853711}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847552, "scored_at": 1786853711, "alerts": [], "rank": 2932}, {"candidate_id": "ODC-D09729", "res_at": 1788813185, "skeleton": "YBMGPWNKTIVZHJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 41.541, "axes": {"activity": 8.16, "binding": 14.39, "selectivity": 8.1, "admet": 4.56, "novelty": 2.96, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.09, "fraction": 0.272}, "binding": {"pIC50": 7.16, "LE": 0.409, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.563, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.368, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.494, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.089765664685373, "aff_pf": -1.1590682665507, "aff_hs": -0.033779303232828774, "repeats_pf": {"runs": 3, "values": [-1.1441, -1.1556, -1.1775], "mean": -1.1591, "spread": 0.0334}, "repeats_hs": {"runs": 3, "values": [-0.037, 0.0851, -0.1494], "mean": -0.0338, "spread": 0.2344}, "at": 1788813185}, "tier": 1, "alerts": [], "total_sd": 0.445, "total_ci95": [40.729, 42.485], "relegate_reason": [], "submitted_at": 1788737920, "scored_at": 1788813185, "rank": 2933}, {"candidate_id": "ODC-0A9E29", "res_at": 1787732634, "skeleton": "NHIDXYHPWVAXMM", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5H-YF", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 41.528, "axes": {"activity": 25.81, "binding": 2.42, "selectivity": 0.0, "admet": 3.55, "novelty": 6.05, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.149, "fraction": 0.86}, "binding": {"pIC50": 5.47, "LE": 0.234, "potency_term": 0.155, "efficiency_cap": 0.78}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.155}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.059, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 6.148508731534463, "aff_pf": 0.5344848235448202, "aff_hs": -0.48035075267155963, "repeats_pf": {"runs": 3, "values": [0.4854, 0.4418, 0.6763], "mean": 0.5345, "spread": 0.2345}, "repeats_hs": {"runs": 3, "values": [-0.5627, -0.3182, -0.5601], "mean": -0.4804, "spread": 0.2445}, "at": 1787732634}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728388, "scored_at": 1787732634, "alerts": [], "rank": 2934}, {"candidate_id": "ODC-0206D6", "res_at": 1786886233, "skeleton": "NDYXWTGRVKJCMW", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.522, "axes": {"activity": 10.71, "binding": 13.85, "selectivity": 6.58, "admet": 4.66, "novelty": 2.69, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.242, "fraction": 0.357}, "binding": {"pIC50": 7.08, "LE": 0.388, "potency_term": 0.692, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.355, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.449, "herg": 0.106, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.242349794452155, "aff_pf": -1.0771445433298747, "aff_hs": -0.1275173226992289, "repeats_pf": {"runs": 3, "values": [-1.092, -1.077, -1.0624], "mean": -1.0771, "spread": 0.0297}, "repeats_hs": {"runs": 3, "values": [-0.0909, -0.1591, -0.1325], "mean": -0.1275, "spread": 0.0682}, "at": 1786886233}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878961, "scored_at": 1786886233, "alerts": [], "rank": 2935}, {"candidate_id": "ODC-EE0BAE", "res_at": 1787047592, "skeleton": "LPIFKWSIAZNLRI", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M4", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.512, "axes": {"activity": 19.53, "binding": 9.54, "selectivity": 1.92, "admet": 4.51, "novelty": 3.09, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.772, "fraction": 0.651}, "binding": {"pIC50": 6.43, "LE": 0.367, "potency_term": 0.477, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.464, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.343, "herg": 0.852, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.771677179350708, "aff_pf": -0.4309336841106415, "aff_hs": -0.028539828956127167, "repeats_pf": {"runs": 3, "values": [-0.4742, -0.4669, -0.3517], "mean": -0.4309, "spread": 0.1224}, "repeats_hs": {"runs": 3, "values": [-0.0103, -0.112, 0.0367], "mean": -0.0285, "spread": 0.1487}, "at": 1787047592}, "tier": 1, "relegate_reason": [], "submitted_at": 1787041272, "scored_at": 1787047592, "alerts": [], "rank": 2936}, {"candidate_id": "ODC-FB259B", "res_at": 1789878708, "skeleton": "WFXJHUPYXFCIHX", "hf_user": "Bio-JS", "display_name": "0917-S1-div27", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 41.494, "axes": {"activity": 11.09, "binding": 12.54, "selectivity": 7.22, "admet": 4.26, "novelty": 3.76, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 6.88, "LE": 0.377, "potency_term": 0.627, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.576, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.415, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.2654776183380445, "aff_pf": -0.8808975418408712, "aff_hs": 0.2712960143884023, "repeats_pf": {"runs": 3, "values": [-0.8252, -0.8173, -1.0002], "mean": -0.8809, "spread": 0.1828}, "repeats_hs": {"runs": 3, "values": [0.3172, 0.2238, 0.2729], "mean": 0.2713, "spread": 0.0934}, "at": 1789878708}, "tier": 1, "alerts": [], "total_sd": 1.087, "total_ci95": [39.95, 44.12], "relegate_reason": [], "submitted_at": 1789628661, "scored_at": 1789878708, "rank": 2937}, {"candidate_id": "ODC-676033", "res_at": 1786850483, "skeleton": "GWHCZSPSROLSJV", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.49, "axes": {"activity": 9.24, "binding": 14.59, "selectivity": 7.0, "admet": 4.0, "novelty": 3.71, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.154, "fraction": 0.308}, "binding": {"pIC50": 7.19, "LE": 0.379, "potency_term": 0.73, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.48, "target_engagement": 0.73}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.076, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.457, "ld50-zhu": 0.81, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.154276722631782, "aff_pf": -1.1885496775309246, "aff_hs": -0.2295248657464981, "repeats_pf": {"runs": 3, "values": [-1.1856, -1.176, -1.2041], "mean": -1.1885, "spread": 0.0282}, "repeats_hs": {"runs": 3, "values": [-0.2056, -0.262, -0.221], "mean": -0.2295, "spread": 0.0564}, "at": 1786850483}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847159, "scored_at": 1786850483, "alerts": [], "rank": 2938}, {"candidate_id": "ODC-026C99", "res_at": 1786927471, "skeleton": "YUVDMNRTDYREGL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.488, "axes": {"activity": 9.01, "binding": 14.47, "selectivity": 6.76, "admet": 5.53, "novelty": 3.36, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.14, "fraction": 0.3}, "binding": {"pIC50": 7.17, "LE": 0.393, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 1.0, "herg": 0.214, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "1", "pAct_q10": 5.140308446105563, "aff_pf": -1.1708938678105671, "aff_hs": -0.23730372389157614, "repeats_pf": {"runs": 3, "values": [-1.1977, -1.2059, -1.1091], "mean": -1.1709, "spread": 0.0969}, "repeats_hs": {"runs": 3, "values": [-0.2646, -0.2865, -0.1608], "mean": -0.2373, "spread": 0.1257}, "at": 1786927471}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924377, "scored_at": 1786927471, "alerts": [], "rank": 2939}, {"candidate_id": "ODC-1FECB9", "res_at": 1788268656, "skeleton": "KGAOKJBCHXCJBA", "hf_user": "Bio-JS", "display_name": "0901b-S1 옥세탄 x 팔 2-메틸 설폰", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.486, "axes": {"activity": 15.34, "binding": 9.94, "selectivity": 8.7, "admet": 2.26, "novelty": 3.55, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.52, "fraction": 0.511}, "binding": {"pIC50": 6.78, "LE": 0.251, "potency_term": 0.594, "efficiency_cap": 0.837}, "selectivity": {"fold": 29.2, "selectivity_term": 0.733, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.331, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.378, "herg": 0.05, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.52038858903664, "aff_pf": -0.7812119921048483, "aff_hs": 0.6848488450050354, "repeats_pf": {"runs": 3, "values": [-0.8226, -0.8304, -0.6905], "mean": -0.7812, "spread": 0.1399}, "repeats_hs": {"runs": 3, "values": [0.6192, 0.6709, 0.7645], "mean": 0.6848, "spread": 0.1453}, "at": 1788268656}, "tier": 1, "alerts": [], "total_sd": 0.678, "total_ci95": [40.173, 42.61], "relegate_reason": [], "submitted_at": 1788264058, "scored_at": 1788268656, "rank": 2940}, {"candidate_id": "ODC-6A293E", "res_at": 1787913405, "skeleton": "KOOXMJJJIABSNY", "hf_user": "Bio-JS", "display_name": "K5 코어2-사이클로프로필 x 옥세탄 (강직 부피)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 41.451, "axes": {"activity": 18.82, "binding": 9.15, "selectivity": 3.91, "admet": 2.85, "novelty": 4.16, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.729, "fraction": 0.627}, "binding": {"pIC50": 6.7, "LE": 0.242, "potency_term": 0.568, "efficiency_cap": 0.806}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.568}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.332, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.363, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.084}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.729209746780271, "aff_pf": -0.7034499843915304, "aff_hs": -0.015040293335914612, "repeats_pf": {"runs": 3, "values": [-0.9123, -0.5253, -0.6728], "mean": -0.7034, "spread": 0.3871}, "repeats_hs": {"runs": 3, "values": [0.0091, -0.0014, -0.0529], "mean": -0.015, "spread": 0.062}, "at": 1787913405}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898895, "scored_at": 1787913405, "alerts": [], "rank": 2941}, {"candidate_id": "ODC-D42D11", "res_at": 1789385139, "skeleton": "BIMKIYVTKUYKCC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.448, "axes": {"activity": 15.51, "binding": 11.16, "selectivity": 5.43, "admet": 3.95, "novelty": 3.03, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.531, "fraction": 0.517}, "binding": {"pIC50": 6.67, "LE": 0.339, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.487, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.356, "cyp3a4-substrate-carbonmangels": 0.646, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.457, "novelty": 0.543}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.530885775393688, "aff_pf": -0.6734078526496887, "aff_hs": 0.2999017685651779, "repeats_pf": {"runs": 3, "values": [-0.717, -0.6371, -0.6661], "mean": -0.6734, "spread": 0.0799}, "repeats_hs": {"runs": 3, "values": [0.2111, 0.7689, -0.0803], "mean": 0.2999, "spread": 0.8493}, "at": 1789385139}, "tier": 1, "alerts": [], "total_sd": 1.295, "total_ci95": [39.327, 43.899], "relegate_reason": [], "submitted_at": 1789366193, "scored_at": 1789385139, "rank": 2942}, {"candidate_id": "ODC-18F933", "res_at": 1789618368, "skeleton": "DFMOCZKASUPVKP", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)(F)F", "total": 41.44, "axes": {"activity": 18.22, "binding": 10.32, "selectivity": 3.32, "admet": 3.78, "novelty": 4.18, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 6.68, "LE": 0.277, "potency_term": 0.559, "efficiency_cap": 0.924}, "selectivity": {"fold": 3.9, "selectivity_term": 0.298, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.344, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.564, "cyp2c9-veith": 0.206, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "0", "pAct_q10": 5.692935982408616, "aff_pf": -0.6760627230008444, "aff_hs": -0.08091861257950465, "repeats_pf": {"runs": 3, "values": [-0.6954, -0.6297, -0.7031], "mean": -0.6761, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [0.0253, -0.1827, -0.0854], "mean": -0.0809, "spread": 0.208}, "at": 1789618368}, "tier": 1, "alerts": [], "total_sd": 0.408, "total_ci95": [40.564, 42.169], "relegate_reason": [], "submitted_at": 1789617622, "scored_at": 1789618368, "rank": 2943}, {"candidate_id": "ODC-6C0A3B", "res_at": 1787307236, "skeleton": "GCQHVSWUOQSYTR", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 41.412, "axes": {"activity": 21.05, "binding": 7.65, "selectivity": 2.12, "admet": 2.83, "novelty": 4.88, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.863, "fraction": 0.702}, "binding": {"pIC50": 6.44, "LE": 0.239, "potency_term": 0.481, "efficiency_cap": 0.795}, "selectivity": {"fold": 2.8, "selectivity_term": 0.221, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.45, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.107, "ld50-zhu": 0.778, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.863209210522891, "aff_pf": -0.44250719745953876, "aff_hs": -0.0010748157898585002, "repeats_pf": {"runs": 3, "values": [-0.473, -0.4517, -0.4028], "mean": -0.4425, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [0.107, -0.0728, -0.0374], "mean": -0.0011, "spread": 0.1798}, "at": 1787307236}, "tier": 1, "relegate_reason": [], "submitted_at": 1787306100, "scored_at": 1787307236, "alerts": [], "rank": 2944}, {"candidate_id": "ODC-6679C9", "res_at": 1789377919, "skeleton": "ACDCHZLXCCPADV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 41.406, "axes": {"activity": 11.62, "binding": 13.01, "selectivity": 6.6, "admet": 4.62, "novelty": 2.6, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.297, "fraction": 0.387}, "binding": {"pIC50": 6.95, "LE": 0.397, "potency_term": 0.651, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.971, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.853, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.316, "herg": 0.254, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.297333100745068, "aff_pf": -0.9518151680628458, "aff_hs": 0.062258447209993996, "repeats_pf": {"runs": 3, "values": [-0.9329, -0.9965, -0.9261], "mean": -0.9518, "spread": 0.0704}, "repeats_hs": {"runs": 3, "values": [-0.0091, -0.0191, 0.215], "mean": 0.0623, "spread": 0.234}, "at": 1789377919}, "tier": 1, "alerts": [], "total_sd": 0.58, "total_ci95": [40.396, 42.45], "relegate_reason": [], "submitted_at": 1789365434, "scored_at": 1789377919, "rank": 2945}, {"candidate_id": "ODC-F6BAA7", "res_at": 1786784092, "skeleton": "NLIRHKBDXRIFHO", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "deepseek-v4-flash", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.399, "axes": {"activity": 10.19, "binding": 12.16, "selectivity": 9.8, "admet": 4.13, "novelty": 2.07, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.211, "fraction": 0.34}, "binding": {"pIC50": 6.82, "LE": 0.445, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.9, "selectivity_term": 0.806, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.643, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.277, "herg": 0.065, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.659, "novelty": 0.341}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "3", "pAct_q10": 5.211237395225584, "aff_pf": -0.8244528770446777, "aff_hs": 0.7875005404154459, "repeats_pf": {"runs": 3, "values": [-0.6669, -0.9062, -0.9003], "mean": -0.8245, "spread": 0.2393}, "repeats_hs": {"runs": 3, "values": [0.8289, 0.7164, 0.8172], "mean": 0.7875, "spread": 0.1125}, "at": 1786784092}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780193, "scored_at": 1786784092, "alerts": [], "rank": 2946}, {"candidate_id": "ODC-5E9964", "res_at": 1787168984, "skeleton": "CJBJIGPCXRTQKQ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc2[nH]cnc2cc1-c1ccc(S(=O)(=O)NCc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1", "smiles_masked": null, "total": 41.397, "axes": {"activity": 18.23, "binding": 12.35, "selectivity": 1.69, "admet": 2.37, "novelty": 3.66, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.694, "fraction": 0.608}, "binding": {"pIC50": 7.16, "LE": 0.258, "potency_term": 0.718, "efficiency_cap": 0.86}, "selectivity": {"fold": 1.7, "selectivity_term": 0.118, "target_engagement": 0.718}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.693815848676794, "aff_pf": -1.1550538937250774, "aff_hs": -0.9195718963940939, "repeats_pf": {"runs": 3, "values": [-1.0633, -1.0906, -1.3113], "mean": -1.1551, "spread": 0.248}, "repeats_hs": {"runs": 3, "values": [-0.8739, -1.0166, -0.8683], "mean": -0.9196, "spread": 0.1483}, "at": 1787168984}, "tier": 1, "relegate_reason": [], "submitted_at": 1787168554, "scored_at": 1787168984, "alerts": [], "rank": 2947}, {"candidate_id": "ODC-35C65C", "res_at": 1787606849, "skeleton": "WGDYKGNYRWQFSP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.364, "axes": {"activity": 13.39, "binding": 10.0, "selectivity": 10.19, "admet": 2.27, "novelty": 3.42, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.403, "fraction": 0.446}, "binding": {"pIC50": 6.79, "LE": 0.251, "potency_term": 0.597, "efficiency_cap": 0.838}, "selectivity": {"fold": 51.0, "selectivity_term": 0.854, "target_engagement": 0.597}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.284, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.365, "herg": 0.05, "dili": 0.294}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.403109936590961, "aff_pf": -0.7900625864664713, "aff_hs": 0.9174137115478516, "repeats_pf": {"runs": 3, "values": [-0.7022, -0.7616, -0.9064], "mean": -0.7901, "spread": 0.2041}, "repeats_hs": {"runs": 3, "values": [0.9567, 0.843, 0.9526], "mean": 0.9174, "spread": 0.1137}, "at": 1787606849}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605350, "scored_at": 1787606849, "alerts": [], "rank": 2948}, {"candidate_id": "ODC-C2AFB6", "res_at": 1786843871, "skeleton": "QHRDFVBYJCGFHZ", "hf_user": "Melchi-zedek", "display_name": "Codex-PfDHODH-01", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.36, "axes": {"activity": 12.44, "binding": 12.81, "selectivity": 4.59, "admet": 5.08, "novelty": 3.84, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.347, "fraction": 0.415}, "binding": {"pIC50": 6.92, "LE": 0.379, "potency_term": 0.64, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.358, "target_engagement": 0.64}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.432, "cyp3a4-substrate-carbonmangels": 0.329, "ld50-zhu": 0.632, "herg": 0.332, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.346647696067642, "aff_pf": -0.9212276339530945, "aff_hs": -0.2042685349782308, "repeats_pf": {"runs": 3, "values": [-0.9607, -0.9189, -0.884], "mean": -0.9212, "spread": 0.0767}, "repeats_hs": {"runs": 3, "values": [-0.2275, -0.1568, -0.2285], "mean": -0.2043, "spread": 0.0717}, "at": 1786843871}, "tier": 1, "relegate_reason": [], "submitted_at": 1786826103, "scored_at": 1786843871, "alerts": [], "rank": 2949}, {"candidate_id": "ODC-29E8B7", "res_at": 1789551726, "skeleton": "PVYCWPMFBFBYCA", "hf_user": "Bio-JS", "display_name": "0916-S1-div17", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 41.346, "axes": {"activity": 14.23, "binding": 12.36, "selectivity": 5.31, "admet": 2.94, "novelty": 4.04, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.474}, "binding": {"pIC50": 6.85, "LE": 0.348, "potency_term": 0.618, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.618}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.345, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.717, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.453862207586203, "aff_pf": -0.8544877370198568, "aff_hs": 0.00462108850479126, "repeats_pf": {"runs": 3, "values": [-0.8548, -0.8897, -0.819], "mean": -0.8545, "spread": 0.0707}, "repeats_hs": {"runs": 3, "values": [-0.036, -0.0462, 0.0961], "mean": 0.0046, "spread": 0.1423}, "at": 1789551726}, "tier": 1, "alerts": [], "total_sd": 0.386, "total_ci95": [40.592, 42.114], "relegate_reason": [], "submitted_at": 1789526869, "scored_at": 1789551726, "rank": 2950}, {"candidate_id": "ODC-B6AB64", "res_at": 1786865405, "skeleton": "JKDBHCVUFXAEES", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 41.345, "axes": {"activity": 12.1, "binding": 13.98, "selectivity": 5.09, "admet": 4.12, "novelty": 3.38, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 7.1, "LE": 0.347, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.364, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.076, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.635, "herg": 0.103, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.326025879302127, "aff_pf": -1.0975244839986165, "aff_hs": -0.369709591070811, "repeats_pf": {"runs": 3, "values": [-1.0079, -1.2094, -1.0753], "mean": -1.0975, "spread": 0.2016}, "repeats_hs": {"runs": 3, "values": [-0.3994, -0.4337, -0.276], "mean": -0.3697, "spread": 0.1578}, "at": 1786865405}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857226, "scored_at": 1786865405, "alerts": [], "rank": 2951}, {"candidate_id": "ODC-141BAD", "res_at": 1789237513, "skeleton": "RVTDYDKUUMAVAH", "hf_user": "Bio-JS", "display_name": "0913-S1-div16", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 41.342, "axes": {"activity": 12.61, "binding": 12.24, "selectivity": 6.05, "admet": 4.08, "novelty": 3.9, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.42}, "binding": {"pIC50": 6.84, "LE": 0.36, "potency_term": 0.612, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.495, "target_engagement": 0.612}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 0.268, "ld50-zhu": 0.565, "herg": 0.15, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.356803388201176, "aff_pf": -0.836311956246694, "aff_hs": 0.15276472022136053, "repeats_pf": {"runs": 3, "values": [-0.8506, -0.8942, -0.7642], "mean": -0.8363, "spread": 0.13}, "repeats_hs": {"runs": 3, "values": [0.1434, 0.0767, 0.2382], "mean": 0.1528, "spread": 0.1615}, "at": 1789237513}, "tier": 1, "alerts": [], "total_sd": 0.705, "total_ci95": [40.084, 42.629], "relegate_reason": [], "submitted_at": 1789226341, "scored_at": 1789237513, "rank": 2952}, {"candidate_id": "ODC-0A8266", "res_at": 1789618573, "skeleton": "MCENCYJWNFVADZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 41.339, "axes": {"activity": 15.28, "binding": 11.95, "selectivity": 4.78, "admet": 3.66, "novelty": 4.17, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.509}, "binding": {"pIC50": 6.88, "LE": 0.286, "potency_term": 0.627, "efficiency_cap": 0.952}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.272, "hia-hou": 0.975, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.595, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.676, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "0", "pAct_q10": 5.517095019281468, "aff_pf": -0.8822462757428488, "aff_hs": -0.12098112205664317, "repeats_pf": {"runs": 3, "values": [-0.9489, -0.8584, -0.8395], "mean": -0.8822, "spread": 0.1094}, "repeats_hs": {"runs": 3, "values": [-0.0844, -0.1371, -0.1415], "mean": -0.121, "spread": 0.0571}, "at": 1789618573}, "tier": 1, "alerts": [], "total_sd": 0.648, "total_ci95": [40.257, 42.784], "relegate_reason": [], "submitted_at": 1789617659, "scored_at": 1789618573, "rank": 2953}, {"candidate_id": "ODC-A53AA8", "res_at": 1789549749, "skeleton": "QHCCOMBLEANZPC", "hf_user": "Bio-JS", "display_name": "0916-S1-div13", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.332, "axes": {"activity": 15.79, "binding": 11.29, "selectivity": 5.43, "admet": 3.61, "novelty": 2.67, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.547, "fraction": 0.526}, "binding": {"pIC50": 6.69, "LE": 0.399, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.481, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.3, "herg": 0.466, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.547305829279585, "aff_pf": -0.6932565768559774, "aff_hs": 0.2680233766635259, "repeats_pf": {"runs": 3, "values": [-0.7871, -0.6694, -0.6232], "mean": -0.6933, "spread": 0.1638}, "repeats_hs": {"runs": 3, "values": [0.1582, 0.3194, 0.3265], "mean": 0.268, "spread": 0.1683}, "at": 1789549749}, "tier": 1, "alerts": [], "total_sd": 0.866, "total_ci95": [39.909, 43.306], "relegate_reason": [], "submitted_at": 1789526821, "scored_at": 1789549749, "rank": 2954}, {"candidate_id": "ODC-A1E51D", "res_at": 1789056002, "skeleton": "LRALLKCMKKYMCA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 41.309, "axes": {"activity": 12.91, "binding": 13.92, "selectivity": 3.16, "admet": 5.29, "novelty": 2.78, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 7.09, "LE": 0.388, "potency_term": 0.696, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.227, "target_engagement": 0.696}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.429, "herg": 0.31, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.374335245771124, "aff_pf": -1.0884198546409607, "aff_hs": -0.6341498891512553, "repeats_pf": {"runs": 3, "values": [-1.1469, -1.1263, -0.9921], "mean": -1.0884, "spread": 0.1548}, "repeats_hs": {"runs": 3, "values": [-0.5219, -0.6109, -0.7696], "mean": -0.6341, "spread": 0.2477}, "at": 1789056002}, "tier": 1, "alerts": [], "total_sd": 0.848, "total_ci95": [39.697, 42.823], "relegate_reason": [], "submitted_at": 1789041191, "scored_at": 1789056002, "rank": 2955}, {"candidate_id": "ODC-9CFDC4", "res_at": 1787615141, "skeleton": "SQMJJIFBBHBGIX", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3,3-다이플루오로-1-메틸사이클로부틸 (4원 CF2)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.302, "axes": {"activity": 19.06, "binding": 9.58, "selectivity": 2.65, "admet": 3.17, "novelty": 4.29, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.635}, "binding": {"pIC50": 6.77, "LE": 0.244, "potency_term": 0.589, "efficiency_cap": 0.813}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.279, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.7436645479053405, "aff_pf": -0.767607311407725, "aff_hs": -0.3175233105818431, "repeats_pf": {"runs": 3, "values": [-0.5194, -0.9604, -0.823], "mean": -0.7676, "spread": 0.441}, "repeats_hs": {"runs": 3, "values": [-0.3988, -0.2434, -0.3104], "mean": -0.3175, "spread": 0.1555}, "at": 1787615141}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614410, "scored_at": 1787615141, "alerts": [], "rank": 2956}, {"candidate_id": "ODC-A63EF4", "res_at": 1789199171, "skeleton": "CRHZGOXLOAUHQJ", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_C_5Cl", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 41.295, "axes": {"activity": 12.56, "binding": 12.23, "selectivity": 6.43, "admet": 4.55, "novelty": 2.76, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.419}, "binding": {"pIC50": 6.83, "LE": 0.426, "potency_term": 0.612, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.525, "target_engagement": 0.612}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.355, "herg": 0.631, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.549, "novelty": 0.451}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.35345807589763, "aff_pf": -0.8345932761828104, "aff_hs": 0.2163985768953959, "repeats_pf": {"runs": 3, "values": [-0.7193, -0.7644, -1.0201], "mean": -0.8346, "spread": 0.3009}, "repeats_hs": {"runs": 3, "values": [0.2869, 0.1489, 0.2133], "mean": 0.2164, "spread": 0.138}, "at": 1789199171}, "tier": 1, "alerts": [], "total_sd": 1.686, "total_ci95": [38.828, 45.285], "relegate_reason": [], "submitted_at": 1789177490, "scored_at": 1789199171, "rank": 2957}, {"candidate_id": "ODC-3423D2", "res_at": 1787317923, "skeleton": "LMUXUQLZRPHHAK", "hf_user": "takutoyo", "display_name": "PfD12-13", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 41.294, "axes": {"activity": 21.37, "binding": 7.12, "selectivity": 2.77, "admet": 2.61, "novelty": 4.92, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.882, "fraction": 0.712}, "binding": {"pIC50": 6.27, "LE": 0.253, "potency_term": 0.423, "efficiency_cap": 0.842}, "selectivity": {"fold": 4.5, "selectivity_term": 0.328, "target_engagement": 0.423}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.466, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.882326818666621, "aff_pf": -0.26831479370594025, "aff_hs": 0.3876320719718933, "repeats_pf": {"runs": 3, "values": [-0.2716, -0.3339, -0.1994], "mean": -0.2683, "spread": 0.1345}, "repeats_hs": {"runs": 3, "values": [0.4229, 0.4424, 0.2976], "mean": 0.3876, "spread": 0.1448}, "at": 1787317923}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315827, "scored_at": 1787317923, "alerts": [], "rank": 2958}, {"candidate_id": "ODC-666040", "res_at": 1786778010, "skeleton": "JOYFFESZDZGTRK", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········)cc1F", "total": 41.29, "axes": {"activity": 15.57, "binding": 12.18, "selectivity": 5.28, "admet": 3.04, "novelty": 2.58, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.534, "fraction": 0.519}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.433, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.415, "herg": 0.117, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.534075350389739, "aff_pf": -0.827245831489563, "aff_hs": 0.03942376375198364, "at": 1786778010}, "tier": 1, "relegate_reason": [], "submitted_at": 1786777835, "scored_at": 1786778010, "alerts": [], "rank": 2959}, {"candidate_id": "ODC-851591", "res_at": 1788870888, "skeleton": "JHCYZNXCXHYAOJ", "hf_user": "Ku-ku", "display_name": "KK-M-0908-856", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 41.288, "axes": {"activity": 13.7, "binding": 11.03, "selectivity": 4.9, "admet": 6.11, "novelty": 3.73, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.65, "LE": 0.396, "potency_term": 0.551, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.738, "per_endpoint": {"solubility-aqsoldb": 0.833, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.977, "ld50-zhu": 0.498, "herg": 0.608, "dili": 0.255}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "0", "pAct_q10": 5.421861924065488, "aff_pf": -0.6538786093393961, "aff_hs": 0.23490241169929504, "repeats_pf": {"runs": 3, "values": [-0.6285, -0.6527, -0.6805], "mean": -0.6539, "spread": 0.052}, "repeats_hs": {"runs": 3, "values": [0.2542, 0.1133, 0.3372], "mean": 0.2349, "spread": 0.224}, "at": 1788870888}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.415, "total_ci95": [40.498, 42.145], "relegate_reason": [], "submitted_at": 1788861908, "scored_at": 1788870888, "rank": 2960}, {"candidate_id": "ODC-BD6884", "res_at": 1787173918, "skeleton": "PBMLHWXXBBFIQA", "hf_user": "1Dmeds", "display_name": "ODC26-FN-12", "model_name": "Claude Opus 5 balanced-axis design", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 41.278, "axes": {"activity": 21.37, "binding": 6.85, "selectivity": 0.0, "admet": 5.2, "novelty": 4.82, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.882, "fraction": 0.712}, "binding": {"pIC50": 6.03, "LE": 0.375, "potency_term": 0.343, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.343}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.867, "ld50-zhu": 0.385, "herg": 0.697, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.8819803208030255, "aff_pf": -0.028164009253184002, "aff_hs": -0.7178251345952352, "repeats_pf": {"runs": 3, "values": [-1.3433, 0.4981, 0.7607], "mean": -0.0282, "spread": 2.104}, "repeats_hs": {"runs": 3, "values": [-0.8101, -0.6748, -0.6686], "mean": -0.7178, "spread": 0.1415}, "at": 1787173918}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171707, "scored_at": 1787173918, "alerts": [], "rank": 2961}, {"candidate_id": "ODC-882B04", "res_at": 1786906940, "skeleton": "IANIVFUIKRMWRK", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.276, "axes": {"activity": 13.61, "binding": 13.4, "selectivity": 5.92, "admet": 3.61, "novelty": 1.95, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.454}, "binding": {"pIC50": 7.01, "LE": 0.331, "potency_term": 0.67, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.442, "target_engagement": 0.67}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.103}}, "novelty": {"max_tanimoto": 0.709, "novelty": 0.291}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.4164288228851865, "aff_pf": -1.0095712741216023, "aff_hs": -0.12601822117964426, "repeats_pf": {"runs": 3, "values": [-0.9864, -0.9218, -1.1205], "mean": -1.0096, "spread": 0.1988}, "repeats_hs": {"runs": 3, "values": [-0.1966, -0.1376, -0.0439], "mean": -0.126, "spread": 0.1527}, "at": 1786906940}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892848, "scored_at": 1786906940, "alerts": [], "rank": 2962}, {"candidate_id": "ODC-D75F53", "res_at": 1787144199, "skeleton": "QLSJIUMDNABEHQ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 41.258, "axes": {"activity": 13.48, "binding": 12.41, "selectivity": 6.42, "admet": 3.85, "novelty": 2.27, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.449}, "binding": {"pIC50": 6.86, "LE": 0.362, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.266, "herg": 0.226, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.408896462046238, "aff_pf": -0.8613483707110087, "aff_hs": 0.1731534798940023, "repeats_pf": {"runs": 3, "values": [-0.8607, -0.8923, -0.831], "mean": -0.8613, "spread": 0.0613}, "repeats_hs": {"runs": 3, "values": [0.2552, 0.0912, 0.1731], "mean": 0.1732, "spread": 0.164}, "at": 1787144199}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142908, "scored_at": 1787144199, "alerts": [], "rank": 2963}, {"candidate_id": "ODC-28DEC8", "res_at": 1788918931, "skeleton": "VAOFGOKZYFRDEC", "hf_user": "Bio-JS", "display_name": "0909-S1-13", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 41.251, "axes": {"activity": 11.28, "binding": 13.09, "selectivity": 6.15, "admet": 4.65, "novelty": 3.27, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.277, "fraction": 0.376}, "binding": {"pIC50": 6.96, "LE": 0.382, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.901, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.388, "cyp3a4-substrate-carbonmangels": 0.193, "ld50-zhu": 0.479, "herg": 0.304, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.277059861499181, "aff_pf": -0.9637051026026408, "aff_hs": -0.02345380187034607, "repeats_pf": {"runs": 3, "values": [-0.9891, -0.9775, -0.9245], "mean": -0.9637, "spread": 0.0647}, "repeats_hs": {"runs": 3, "values": [0.0726, 0.0399, -0.1829], "mean": -0.0235, "spread": 0.2555}, "at": 1788918931}, "tier": 1, "alerts": [], "total_sd": 0.527, "total_ci95": [40.231, 42.285], "relegate_reason": [], "submitted_at": 1788903054, "scored_at": 1788918931, "rank": 2964}, {"candidate_id": "ODC-B03D0F", "res_at": 1787871760, "skeleton": "LNCWINZYHOIGIL", "hf_user": "Bio-JS", "display_name": "가지: 없음 (3차 CH)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.243, "axes": {"activity": 15.77, "binding": 11.22, "selectivity": 5.63, "admet": 2.44, "novelty": 3.76, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.546, "fraction": 0.526}, "binding": {"pIC50": 6.88, "LE": 0.269, "potency_term": 0.626, "efficiency_cap": 0.897}, "selectivity": {"fold": 8.0, "selectivity_term": 0.45, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.326, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.546019032176782, "aff_pf": -0.8765294750531515, "aff_hs": 0.023910656571388245, "repeats_pf": {"runs": 3, "values": [-0.9247, -0.8017, -0.9032], "mean": -0.8765, "spread": 0.1231}, "repeats_hs": {"runs": 3, "values": [-0.0127, 0.0276, 0.0568], "mean": 0.0239, "spread": 0.0695}, "at": 1787849973}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795895, "scored_at": 1787849973, "alerts": [], "rank": 2965}, {"candidate_id": "ODC-BDFA45", "res_at": 1786985867, "skeleton": "ZKDGWSFVONVJGM", "hf_user": "1Dmeds", "display_name": "ODC26-R7-19", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.238, "axes": {"activity": 12.11, "binding": 11.43, "selectivity": 8.68, "admet": 3.14, "novelty": 3.25, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 6.71, "LE": 0.368, "potency_term": 0.572, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.1, "selectivity_term": 0.76, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.326654689769241, "aff_pf": -0.7146102587381998, "aff_hs": 0.8047037521998087, "repeats_pf": {"runs": 3, "values": [-0.71, -0.7214, -0.7125], "mean": -0.7146, "spread": 0.0114}, "repeats_hs": {"runs": 3, "values": [0.9053, 0.7697, 0.7391], "mean": 0.8047, "spread": 0.1662}, "at": 1786985867}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980355, "scored_at": 1786985867, "alerts": [], "rank": 2966}, {"candidate_id": "ODC-92FFED", "res_at": 1789180263, "skeleton": "OEQJYGVWXLICRS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.232, "axes": {"activity": 9.88, "binding": 14.13, "selectivity": 6.4, "admet": 5.0, "novelty": 2.65, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 5.193, "fraction": 0.329}, "binding": {"pIC50": 7.12, "LE": 0.39, "potency_term": 0.706, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.453, "target_engagement": 0.706}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.725, "cyp3a4-substrate-carbonmangels": 0.148, "ld50-zhu": 0.346, "herg": 0.167, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.1929559905679215, "aff_pf": -1.1194731791814168, "aff_hs": -0.21387102703253427, "repeats_pf": {"runs": 3, "values": [-1.1025, -1.0459, -1.2101], "mean": -1.1195, "spread": 0.1642}, "repeats_hs": {"runs": 3, "values": [-0.302, -0.2186, -0.121], "mean": -0.2139, "spread": 0.1809}, "at": 1789180263}, "tier": 1, "alerts": [], "total_sd": 0.886, "total_ci95": [39.822, 43.112], "relegate_reason": [], "submitted_at": 1789174197, "scored_at": 1789180263, "rank": 2967}, {"candidate_id": "ODC-8AD40E", "res_at": 1786911140, "skeleton": "DWHBCALQPOQANC", "hf_user": "1Dmeds", "display_name": "ODC26-R5E-C6F-SEt", "model_name": "ODC-2026-R5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1cc··········)cc1F", "total": 41.23, "axes": {"activity": 10.63, "binding": 12.59, "selectivity": 7.49, "admet": 3.95, "novelty": 3.8, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.238, "fraction": 0.354}, "binding": {"pIC50": 6.89, "LE": 0.393, "potency_term": 0.63, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.4, "selectivity_term": 0.594, "target_engagement": 0.63}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.835, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.393, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.238073563203147, "aff_pf": -0.8891679445902506, "aff_hs": 0.2997066378593445, "repeats_pf": {"runs": 3, "values": [-0.8623, -0.9191, -0.8861], "mean": -0.8892, "spread": 0.0568}, "repeats_hs": {"runs": 3, "values": [0.2669, 0.34, 0.2922], "mean": 0.2997, "spread": 0.0731}, "at": 1786911140}, "tier": 1, "relegate_reason": [], "submitted_at": 1786902280, "scored_at": 1786911140, "alerts": [], "rank": 2968}, {"candidate_id": "ODC-578893", "res_at": 1786945607, "skeleton": "SEEXPOUIIIXRPX", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 41.223, "axes": {"activity": 13.92, "binding": 11.92, "selectivity": 6.7, "admet": 2.58, "novelty": 3.47, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.435, "fraction": 0.464}, "binding": {"pIC50": 6.79, "LE": 0.344, "potency_term": 0.596, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.496, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.492, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.4350888952091685, "aff_pf": -0.7884951631228129, "aff_hs": 0.3345591202378273, "repeats_pf": {"runs": 3, "values": [-0.7201, -0.9462, -0.6992], "mean": -0.7885, "spread": 0.247}, "repeats_hs": {"runs": 3, "values": [0.3413, 0.0953, 0.5671], "mean": 0.3346, "spread": 0.4719}, "at": 1786945607}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934283, "scored_at": 1786945607, "alerts": [], "rank": 2969}, {"candidate_id": "ODC-390196", "res_at": 1789044539, "skeleton": "PCCSSMUEMXNNRZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 41.223, "axes": {"activity": 14.02, "binding": 13.27, "selectivity": 3.89, "admet": 4.44, "novelty": 2.65, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.293, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.258, "cyp2c9-veith": 0.583, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.63, "herg": 0.144, "dili": 0.176}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.4409596812813055, "aff_pf": -0.990622878074646, "aff_hs": -0.4042501052220662, "repeats_pf": {"runs": 3, "values": [-1.0203, -1.0763, -0.8752], "mean": -0.9906, "spread": 0.2011}, "repeats_hs": {"runs": 3, "values": [-0.4162, -0.4073, -0.3892], "mean": -0.4043, "spread": 0.027}, "at": 1789044539}, "tier": 1, "alerts": [], "total_sd": 1.0, "total_ci95": [38.906, 42.925], "relegate_reason": [], "submitted_at": 1789040404, "scored_at": 1789044539, "rank": 2970}, {"candidate_id": "ODC-099198", "res_at": 1789058992, "skeleton": "GSKODQIXVRYCDY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.185, "axes": {"activity": 13.34, "binding": 12.6, "selectivity": 6.21, "admet": 3.79, "novelty": 2.54, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.4, "fraction": 0.445}, "binding": {"pIC50": 6.89, "LE": 0.378, "potency_term": 0.63, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.63}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.477, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.608, "herg": 0.158, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.400143592366888, "aff_pf": -0.8897574742635092, "aff_hs": 0.09550946950912476, "repeats_pf": {"runs": 3, "values": [-0.854, -0.9251, -0.8902], "mean": -0.8898, "spread": 0.0711}, "repeats_hs": {"runs": 3, "values": [0.2156, 0.0167, 0.0542], "mean": 0.0955, "spread": 0.1988}, "at": 1789058992}, "tier": 1, "alerts": [], "total_sd": 0.466, "total_ci95": [40.354, 42.358], "relegate_reason": [], "submitted_at": 1789041365, "scored_at": 1789058992, "rank": 2971}, {"candidate_id": "ODC-DAA22D", "res_at": 1787703769, "skeleton": "JWIREXWVNALMQD", "hf_user": "Bio-JS", "display_name": "요인 NH고리 × 메톡시메틸", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCC1(c··········)CNC1", "total": 41.18, "axes": {"activity": 19.38, "binding": 6.87, "selectivity": 4.61, "admet": 3.23, "novelty": 4.47, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.763, "fraction": 0.646}, "binding": {"pIC50": 6.35, "LE": 0.229, "potency_term": 0.45, "efficiency_cap": 0.763}, "selectivity": {"fold": 10.6, "selectivity_term": 0.512, "target_engagement": 0.45}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.233, "hia-hou": 1.0, "bioavailability-ma": 0.968, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.497, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.408}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.762979288267897, "aff_pf": -0.35063035041093826, "aff_hs": 0.6730374892552694, "repeats_pf": {"runs": 3, "values": [-0.084, -1.0715, 0.1036], "mean": -0.3506, "spread": 1.1751}, "repeats_hs": {"runs": 3, "values": [0.6724, 0.7964, 0.5503], "mean": 0.673, "spread": 0.2461}, "at": 1787703769}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702784, "scored_at": 1787703769, "alerts": [], "rank": 2972}, {"candidate_id": "ODC-867AB6", "res_at": 1789973245, "skeleton": "AJEWWAWUTKSFBD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.171, "axes": {"activity": 14.68, "binding": 11.95, "selectivity": 4.19, "admet": 4.72, "novelty": 3.19, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 6.79, "LE": 0.388, "potency_term": 0.598, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.598}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.976, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.598, "cyp3a4-substrate-carbonmangels": 0.177, "ld50-zhu": 0.404, "herg": 0.971, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 5.481077425334524, "aff_pf": -0.7931487560272217, "aff_hs": -0.0929028478761514, "repeats_pf": {"runs": 3, "values": [-0.838, -0.7459, -0.7955], "mean": -0.7931, "spread": 0.0921}, "repeats_hs": {"runs": 3, "values": [-0.1728, -0.0832, -0.0227], "mean": -0.0929, "spread": 0.1501}, "at": 1789973245}, "tier": 1, "alerts": [], "total_sd": 0.515, "total_ci95": [40.198, 42.291], "relegate_reason": [], "submitted_at": 1789919038, "scored_at": 1789973245, "rank": 2973}, {"candidate_id": "ODC-A5D007", "res_at": 1789173768, "skeleton": "YBFPOVBHPGOHPF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.169, "axes": {"activity": 12.54, "binding": 14.43, "selectivity": 2.95, "admet": 4.69, "novelty": 3.61, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 7.17, "LE": 0.378, "potency_term": 0.722, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.764, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.352330896616201, "aff_pf": -1.1652357578277588, "aff_hs": -0.7566601634025574, "repeats_pf": {"runs": 3, "values": [-1.1562, -1.1863, -1.1533], "mean": -1.1652, "spread": 0.033}, "repeats_hs": {"runs": 3, "values": [-0.7628, -0.7293, -0.7779], "mean": -0.7567, "spread": 0.0485}, "at": 1789173768}, "tier": 1, "alerts": [], "total_sd": 0.186, "total_ci95": [40.829, 41.512], "relegate_reason": [], "submitted_at": 1789173534, "scored_at": 1789173768, "rank": 2974}, {"candidate_id": "ODC-FCC703", "res_at": 1788193397, "skeleton": "KUGYBSUFMSVHCJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.162, "axes": {"activity": 10.84, "binding": 14.39, "selectivity": 4.58, "admet": 3.65, "novelty": 4.76, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.25, "fraction": 0.361}, "binding": {"pIC50": 7.16, "LE": 0.392, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.879, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.062, "ld50-zhu": 0.479, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.250234492977801, "aff_pf": -1.158972938855489, "aff_hs": -0.5225391983985901, "repeats_pf": {"runs": 3, "values": [-1.1462, -1.1675, -1.1632], "mean": -1.159, "spread": 0.0214}, "repeats_hs": {"runs": 3, "values": [-0.4682, -0.7543, -0.3451], "mean": -0.5225, "spread": 0.4092}, "at": 1788193397}, "tier": 1, "alerts": [], "total_sd": 0.768, "total_ci95": [39.494, 42.439], "relegate_reason": [], "submitted_at": 1788189786, "scored_at": 1788193397, "rank": 2975}, {"candidate_id": "ODC-BD2852", "res_at": 1789953303, "skeleton": "BRKNIYOYQZFFDF", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 41.161, "axes": {"activity": 18.17, "binding": 13.75, "selectivity": 0.0, "admet": 2.85, "novelty": 4.67, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.69, "fraction": 0.606}, "binding": {"pIC50": 7.24, "LE": 0.276, "potency_term": 0.748, "efficiency_cap": 0.919}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.748}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.384, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.39, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.757, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 4.24}}, "run": {"gpu": "0", "pAct_q10": 5.690191631870604, "aff_pf": -1.2438312768936157, "aff_hs": -1.24413001537323, "repeats_pf": {"runs": 3, "values": [-1.1444, -1.4156, -1.1715], "mean": -1.2438, "spread": 0.2712}, "repeats_hs": {"runs": 3, "values": [-1.4135, -1.1892, -1.1297], "mean": -1.2441, "spread": 0.2837}, "at": 1789953303}, "tier": 1, "alerts": [], "total_sd": 1.305, "total_ci95": [39.841, 44.889], "relegate_reason": [], "submitted_at": 1789837520, "scored_at": 1789953303, "rank": 2976}, {"candidate_id": "ODC-06245B", "res_at": 1789964224, "skeleton": "IGPYJYRWWXYXPU", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.138, "axes": {"activity": 15.36, "binding": 11.66, "selectivity": 5.89, "admet": 2.58, "novelty": 3.14, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 6.75, "LE": 0.33, "potency_term": 0.583, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.085, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.521398277218616, "aff_pf": -0.7493947943051656, "aff_hs": 0.2600749929745992, "repeats_pf": {"runs": 3, "values": [-0.7177, -0.7978, -0.7327], "mean": -0.7494, "spread": 0.0801}, "repeats_hs": {"runs": 3, "values": [0.1962, 0.3744, 0.2096], "mean": 0.2601, "spread": 0.1783}, "at": 1789964224}, "tier": 1, "alerts": [], "total_sd": 0.495, "total_ci95": [40.25, 42.168], "relegate_reason": [], "submitted_at": 1789918868, "scored_at": 1789964224, "rank": 2977}, {"candidate_id": "ODC-C96C0E", "res_at": 1786891839, "skeleton": "QCJZCOOPQOBBHK", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 41.128, "axes": {"activity": 17.24, "binding": 9.56, "selectivity": 5.5, "admet": 2.73, "novelty": 3.63, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.634, "fraction": 0.575}, "binding": {"pIC50": 6.46, "LE": 0.295, "potency_term": 0.486, "efficiency_cap": 0.983}, "selectivity": {"fold": 13.5, "selectivity_term": 0.565, "target_engagement": 0.486}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.063, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.116, "dili": 0.176}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.634319699532151, "aff_pf": -0.45882123708724976, "aff_hs": 0.6713358958562216, "repeats_pf": {"runs": 3, "values": [-0.2925, -0.546, -0.5379], "mean": -0.4588, "spread": 0.2535}, "repeats_hs": {"runs": 3, "values": [0.6456, 0.6514, 0.717], "mean": 0.6713, "spread": 0.0714}, "at": 1786891839}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884222, "scored_at": 1786891839, "alerts": [], "rank": 2978}, {"candidate_id": "ODC-B8F54B", "res_at": 1786967042, "skeleton": "LVYIAKJNMCANLT", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 41.124, "axes": {"activity": 8.17, "binding": 14.03, "selectivity": 6.95, "admet": 4.85, "novelty": 4.14, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.09, "fraction": 0.272}, "binding": {"pIC50": 7.1, "LE": 0.442, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.495, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.88, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.463, "herg": 0.192, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.09010586219307, "aff_pf": -1.103828986485799, "aff_hs": -0.11346428592999776, "repeats_pf": {"runs": 3, "values": [-1.0619, -1.1108, -1.1388], "mean": -1.1038, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [-0.0649, -0.1771, -0.0983], "mean": -0.1135, "spread": 0.1122}, "at": 1786967042}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966844, "scored_at": 1786967042, "alerts": [], "rank": 2979}, {"candidate_id": "ODC-E50EA3", "res_at": 1789016535, "skeleton": "JVMNSWMLNKGMQX", "hf_user": "Ku-ku", "display_name": "KK-M-0910-947", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 41.105, "axes": {"activity": 16.9, "binding": 10.29, "selectivity": 4.0, "admet": 4.08, "novelty": 3.88, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.614, "fraction": 0.563}, "binding": {"pIC50": 6.59, "LE": 0.291, "potency_term": 0.53, "efficiency_cap": 0.971}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.53}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.36, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.589, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.758, "ld50-zhu": 0.584, "herg": 0.226, "dili": 0.206}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "0", "pAct_q10": 5.614143464912984, "aff_pf": -0.5895097752412161, "aff_hs": 0.16487221916516623, "repeats_pf": {"runs": 3, "values": [-0.3523, -0.6617, -0.7545], "mean": -0.5895, "spread": 0.4023}, "repeats_hs": {"runs": 3, "values": [0.1422, 0.195, 0.1574], "mean": 0.1649, "spread": 0.0528}, "at": 1789016535}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.517, "total_ci95": [38.948, 43.579], "relegate_reason": [], "submitted_at": 1789015909, "scored_at": 1789016535, "rank": 2980}, {"candidate_id": "ODC-0A834C", "res_at": 1786983958, "skeleton": "HRBNRNYGPOSOMP", "hf_user": "1Dmeds", "display_name": "ODC26-R7-05", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1I", "total": 41.101, "axes": {"activity": 12.6, "binding": 12.94, "selectivity": 5.94, "admet": 4.17, "novelty": 2.36, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 6.94, "LE": 0.432, "potency_term": 0.647, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.647}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.379, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.355908719009235, "aff_pf": -0.9414405822753906, "aff_hs": -0.023456186056137085, "repeats_pf": {"runs": 3, "values": [-0.9137, -0.9659, -0.9448], "mean": -0.9414, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [-0.0265, 0.0108, -0.0547], "mean": -0.0235, "spread": 0.0655}, "at": 1786983958}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980302, "scored_at": 1786983958, "alerts": [], "rank": 2981}, {"candidate_id": "ODC-E41983", "res_at": 1788820324, "skeleton": "FNNJNAZWVXYDSY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SNIPER03]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 41.095, "axes": {"activity": 20.93, "binding": 8.57, "selectivity": 1.6, "admet": 2.72, "novelty": 4.2, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.856, "fraction": 0.698}, "binding": {"pIC50": 6.55, "LE": 0.249, "potency_term": 0.516, "efficiency_cap": 0.831}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.96, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.855977855406041, "aff_pf": -0.5483818054199219, "aff_hs": -0.2383153090874354, "repeats_pf": {"runs": 3, "values": [-0.5883, -0.489, -0.5678], "mean": -0.5484, "spread": 0.0994}, "repeats_hs": {"runs": 3, "values": [-0.0133, -0.4736, -0.2281], "mean": -0.2383, "spread": 0.4603}, "at": 1788820324}, "tier": 1, "alerts": [], "total_sd": 0.601, "total_ci95": [39.892, 42.339], "relegate_reason": [], "submitted_at": 1788786122, "scored_at": 1788820324, "rank": 2982}, {"candidate_id": "ODC-2650B9", "res_at": 1786818915, "skeleton": "GWBBIHCHOHWQGZ", "hf_user": "ipsych", "display_name": "TPS-ScPr-4Cl3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.08, "axes": {"activity": 12.75, "binding": 14.01, "selectivity": 4.06, "admet": 3.87, "novelty": 3.2, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 7.1, "LE": 0.423, "potency_term": 0.701, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.701}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.447, "herg": 0.077, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.365209343529251, "aff_pf": -1.1019306778907776, "aff_hs": -0.5227961043516794, "repeats_pf": {"runs": 3, "values": [-0.9977, -1.2568, -1.0513], "mean": -1.1019, "spread": 0.2591}, "repeats_hs": {"runs": 3, "values": [-0.4892, -0.4998, -0.5793], "mean": -0.5228, "spread": 0.0901}, "at": 1786818915}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789750, "scored_at": 1786818915, "alerts": [], "rank": 2983}, {"candidate_id": "ODC-6A6973", "res_at": 1789209256, "skeleton": "XBGZWRMRTSJISQ", "hf_user": "Bio-JS", "display_name": "0912-S1-x2CCS_anilClCHF2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.074, "axes": {"activity": 12.56, "binding": 13.97, "selectivity": 3.4, "admet": 4.08, "novelty": 4.01, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.419}, "binding": {"pIC50": 7.1, "LE": 0.405, "potency_term": 0.699, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.244, "target_engagement": 0.699}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.634, "ld50-zhu": 0.475, "herg": 0.298, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.353359114433127, "aff_pf": -1.0957814455032349, "aff_hs": -0.6087458928426107, "repeats_pf": {"runs": 3, "values": [-1.1146, -1.0107, -1.162], "mean": -1.0958, "spread": 0.1514}, "repeats_hs": {"runs": 3, "values": [-0.7644, -0.5469, -0.5149], "mean": -0.6087, "spread": 0.2495}, "at": 1789209256}, "tier": 1, "alerts": [], "total_sd": 0.877, "total_ci95": [39.295, 42.563], "relegate_reason": [], "submitted_at": 1789177551, "scored_at": 1789209256, "rank": 2984}, {"candidate_id": "ODC-375B7F", "res_at": 1787582427, "skeleton": "UOVKJNVETCOKHS", "hf_user": "takutoyo", "display_name": "PfD17-02", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 41.055, "axes": {"activity": 19.61, "binding": 12.57, "selectivity": 0.0, "admet": 2.15, "novelty": 4.44, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.777, "fraction": 0.654}, "binding": {"pIC50": 7.14, "LE": 0.264, "potency_term": 0.713, "efficiency_cap": 0.881}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.713}, "admet": {"geometric_mean": 0.22, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.45, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.564, "herg": 0.05, "dili": 0.132}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.776790933944284, "aff_pf": -1.1397202014923096, "aff_hs": -1.4870602289835613, "repeats_pf": {"runs": 3, "values": [-1.1516, -1.0753, -1.1922], "mean": -1.1397, "spread": 0.1169}, "repeats_hs": {"runs": 3, "values": [-1.465, -1.3058, -1.6904], "mean": -1.4871, "spread": 0.3846}, "at": 1787582427}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581642, "scored_at": 1787582427, "alerts": [], "rank": 2985}, {"candidate_id": "ODC-66FBBB", "res_at": 1787186552, "skeleton": "UHSPDZPSQZIFIM", "hf_user": "Ku-ku", "display_name": "Z3_sulfoxide", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 41.021, "axes": {"activity": 14.18, "binding": 12.48, "selectivity": 3.74, "admet": 4.84, "novelty": 4.02, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.451, "fraction": 0.473}, "binding": {"pIC50": 6.87, "LE": 0.336, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.538, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.557, "herg": 0.242, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 4.02}}, "run": {"gpu": "3", "pAct_q10": 5.450558375836836, "aff_pf": -0.8717547456423441, "aff_hs": -0.2718951851129532, "repeats_pf": {"runs": 3, "values": [-0.867, -0.8144, -0.9338], "mean": -0.8718, "spread": 0.1194}, "repeats_hs": {"runs": 3, "values": [-0.2418, -0.2948, -0.2791], "mean": -0.2719, "spread": 0.0531}, "at": 1787186552}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184089, "scored_at": 1787186552, "alerts": [], "rank": 2986}, {"candidate_id": "ODC-D7B8AF", "res_at": 1788583365, "skeleton": "CWBLCIUJRSMOAA", "hf_user": "Bio-JS", "display_name": "0905-S1-22 SEt/CN/Me/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 41.02, "axes": {"activity": 15.92, "binding": 10.55, "selectivity": 5.6, "admet": 3.56, "novelty": 3.0, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.531}, "binding": {"pIC50": 6.58, "LE": 0.392, "potency_term": 0.527, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.527}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.375, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.555409450563185, "aff_pf": -0.5817610224088033, "aff_hs": 0.479627658923467, "repeats_pf": {"runs": 3, "values": [-0.6048, -0.6376, -0.5029], "mean": -0.5818, "spread": 0.1348}, "repeats_hs": {"runs": 3, "values": [0.5097, 0.5349, 0.3943], "mean": 0.4796, "spread": 0.1406}, "at": 1788583365}, "tier": 1, "alerts": [], "total_sd": 0.62, "total_ci95": [39.82, 42.169], "relegate_reason": [], "submitted_at": 1788560362, "scored_at": 1788583365, "rank": 2987}, {"candidate_id": "ODC-3B65C7", "res_at": 1787731217, "skeleton": "JJTPVVZLCGXMFO", "hf_user": "Bio-JS", "display_name": "B 팔 페닐 아자2 (피리미딘)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 41.019, "axes": {"activity": 17.67, "binding": 10.28, "selectivity": 4.41, "admet": 2.31, "novelty": 4.25, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.66, "fraction": 0.589}, "binding": {"pIC50": 6.83, "LE": 0.253, "potency_term": 0.61, "efficiency_cap": 0.843}, "selectivity": {"fold": 5.3, "selectivity_term": 0.361, "target_engagement": 0.61}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.248, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.745, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.660439074813893, "aff_pf": -0.8299309611320496, "aff_hs": -0.10757856567700703, "repeats_pf": {"runs": 3, "values": [-0.8125, -0.7969, -0.8804], "mean": -0.8299, "spread": 0.0834}, "repeats_hs": {"runs": 3, "values": [0.0225, -0.0118, -0.3334], "mean": -0.1076, "spread": 0.3558}, "at": 1787731217}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726678, "scored_at": 1787731217, "alerts": [], "rank": 2988}, {"candidate_id": "ODC-E850A5", "res_at": 1786868323, "skeleton": "RHTCFYGZPJOPAC", "hf_user": "SEOBAEK", "display_name": "SEOBAEK-Skkima-OPT-C02", "model_name": "Skkima + GPT-5.6 Sol (High)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 41.014, "axes": {"activity": 10.12, "binding": 14.31, "selectivity": 6.3, "admet": 4.3, "novelty": 2.7, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.207, "fraction": 0.337}, "binding": {"pIC50": 7.15, "LE": 0.377, "potency_term": 0.715, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.715}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.339, "cyp3a4-substrate-carbonmangels": 0.282, "ld50-zhu": 0.343, "herg": 0.218, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.207147123542605, "aff_pf": -1.1460297505060832, "aff_hs": -0.26514768600463867, "repeats_pf": {"runs": 3, "values": [-1.0796, -1.2486, -1.1098], "mean": -1.146, "spread": 0.169}, "repeats_hs": {"runs": 3, "values": [-0.1754, -0.3153, -0.3047], "mean": -0.2651, "spread": 0.14}, "at": 1786868323}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863117, "scored_at": 1786868323, "alerts": [], "rank": 2989}, {"candidate_id": "ODC-AF3AAB", "res_at": 1786954885, "skeleton": "IJNVKIZDVVHDBU", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-17", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 41.007, "axes": {"activity": 13.79, "binding": 11.3, "selectivity": 6.57, "admet": 4.16, "novelty": 2.5, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.46}, "binding": {"pIC50": 6.69, "LE": 0.437, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.6, "selectivity_term": 0.582, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.49, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.308, "herg": 0.422, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.558, "novelty": 0.442}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.427425177382957, "aff_pf": -0.6943551699320475, "aff_hs": 0.4693484604358673, "repeats_pf": {"runs": 3, "values": [-0.6368, -0.755, -0.6913], "mean": -0.6944, "spread": 0.1182}, "repeats_hs": {"runs": 3, "values": [0.5436, 0.4008, 0.4637], "mean": 0.4693, "spread": 0.1427}, "at": 1786954885}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949101, "scored_at": 1786954885, "alerts": [], "rank": 2990}, {"candidate_id": "ODC-16FF7E", "res_at": 1789925822, "skeleton": "ZIRVEDOSRXPEKR", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········C(F)F", "total": 40.991, "axes": {"activity": 24.09, "binding": 2.89, "selectivity": 0.0, "admet": 5.75, "novelty": 5.1, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 6.045, "fraction": 0.803}, "binding": {"pIC50": 5.44, "LE": 0.298, "potency_term": 0.146, "efficiency_cap": 0.993}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.146}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.244, "herg": 0.413, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.045267675846961, "aff_pf": 0.5632609327634176, "aff_hs": 0.31972456475098926, "repeats_pf": {"runs": 3, "values": [0.6355, 0.5403, 0.514], "mean": 0.5633, "spread": 0.1215}, "repeats_hs": {"runs": 3, "values": [0.4353, 0.0922, 0.4317], "mean": 0.3197, "spread": 0.3431}, "at": 1789925822}, "tier": 1, "alerts": [], "total_sd": 0.229, "total_ci95": [40.481, 41.34], "relegate_reason": [], "submitted_at": 1789758222, "scored_at": 1789925822, "rank": 2991}, {"candidate_id": "ODC-2D4D78", "res_at": 1787547058, "skeleton": "NPKLSRNLVILMMP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.99, "axes": {"activity": 15.29, "binding": 8.89, "selectivity": 8.79, "admet": 2.31, "novelty": 3.36, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 6.56, "LE": 0.257, "potency_term": 0.52, "efficiency_cap": 0.856}, "selectivity": {"fold": 49.1, "selectivity_term": 0.845, "target_engagement": 0.52}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.177, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.564, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.517647315466399, "aff_pf": -0.5588463743527731, "aff_hs": 1.1318544546763103, "repeats_pf": {"runs": 3, "values": [-0.675, -0.6458, -0.3557], "mean": -0.5588, "spread": 0.3194}, "repeats_hs": {"runs": 3, "values": [1.0794, 1.1734, 1.1428], "mean": 1.1319, "spread": 0.094}, "at": 1787547058}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523355, "scored_at": 1787547058, "alerts": [], "rank": 2992}, {"candidate_id": "ODC-A05489", "res_at": 1788441608, "skeleton": "ULOXIBYXNKGABW", "hf_user": "Bio-JS", "display_name": "0903-S1-29 oCN_mF/oxetane/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.95, "axes": {"activity": 20.01, "binding": 10.63, "selectivity": 0.0, "admet": 3.02, "novelty": 4.59, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.801, "fraction": 0.667}, "binding": {"pIC50": 6.88, "LE": 0.255, "potency_term": 0.626, "efficiency_cap": 0.849}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.417}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.800758505547247, "aff_pf": -0.8777696092923483, "aff_hs": -1.1303115685780842, "repeats_pf": {"runs": 3, "values": [-0.8542, -0.8635, -0.9156], "mean": -0.8778, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [-1.1381, -1.1753, -1.0774], "mean": -1.1303, "spread": 0.0979}, "at": 1788441608}, "tier": 1, "alerts": [], "total_sd": 0.111, "total_ci95": [40.781, 41.224], "relegate_reason": [], "submitted_at": 1788362987, "scored_at": 1788441608, "rank": 2993}, {"candidate_id": "ODC-1AC523", "res_at": 1788236051, "skeleton": "ZSPABIZIDGAIKC", "hf_user": "Bio-JS", "display_name": "0901-S1 코어메틸 -> CF3 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 40.941, "axes": {"activity": 19.48, "binding": 8.52, "selectivity": 3.28, "admet": 2.63, "novelty": 4.46, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.769, "fraction": 0.649}, "binding": {"pIC50": 6.61, "LE": 0.238, "potency_term": 0.536, "efficiency_cap": 0.794}, "selectivity": {"fold": 4.1, "selectivity_term": 0.306, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.76877858510245, "aff_pf": -0.6089162329832712, "aff_hs": 0.0032875165343284607, "repeats_pf": {"runs": 3, "values": [-0.4798, -0.6195, -0.7274], "mean": -0.6089, "spread": 0.2476}, "repeats_hs": {"runs": 3, "values": [-0.0082, 0.0113, 0.0067], "mean": 0.0033, "spread": 0.0195}, "at": 1788236051}, "tier": 1, "alerts": [], "total_sd": 0.792, "total_ci95": [39.228, 42.619], "relegate_reason": [], "submitted_at": 1788222326, "scored_at": 1788236051, "rank": 2994}, {"candidate_id": "ODC-416CDC", "res_at": 1787017961, "skeleton": "BBFUKAQHTCKTAZ", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cc(··········nc2n1", "total": 40.939, "axes": {"activity": 11.18, "binding": 13.59, "selectivity": 5.83, "admet": 3.88, "novelty": 3.4, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.637, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.88, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.055, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.27074212025673, "aff_pf": -1.038261890411377, "aff_hs": -0.17977125446001688, "repeats_pf": {"runs": 3, "values": [-1.0561, -1.0146, -1.044], "mean": -1.0383, "spread": 0.0416}, "repeats_hs": {"runs": 3, "values": [-0.1744, -0.2016, -0.1633], "mean": -0.1798, "spread": 0.0384}, "at": 1787017961}, "tier": 1, "relegate_reason": [], "submitted_at": 1787017616, "scored_at": 1787017961, "alerts": [], "rank": 2995}, {"candidate_id": "ODC-C281EA", "res_at": 1787124031, "skeleton": "LXSKEEVUWCMHSI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 40.917, "axes": {"activity": 16.58, "binding": 8.33, "selectivity": 6.04, "admet": 3.98, "novelty": 3.46, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.595, "fraction": 0.553}, "binding": {"pIC50": 6.44, "LE": 0.26, "potency_term": 0.481, "efficiency_cap": 0.865}, "selectivity": {"fold": 18.0, "selectivity_term": 0.628, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.64, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.667}}, "novelty": {"max_tanimoto": 0.374, "novelty": 0.626}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.5946389229789535, "aff_pf": -0.4431499093770981, "aff_hs": 0.813003420829773, "repeats_pf": {"runs": 3, "values": [-0.8158, -0.4347, -0.0789], "mean": -0.4431, "spread": 0.7369}, "repeats_hs": {"runs": 3, "values": [0.5511, 0.8827, 1.0052], "mean": 0.813, "spread": 0.4541}, "at": 1787124031}, "tier": 1, "relegate_reason": [], "submitted_at": 1787107713, "scored_at": 1787124031, "alerts": [], "rank": 2996}, {"candidate_id": "ODC-CDC161", "res_at": 1787873667, "skeleton": "GTXPFAOMNMDUDR", "hf_user": "Bio-JS", "display_name": "4원설폰팔 x N-아세틸-3-사이클로프로필아제티딘", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········C2)C1", "total": 40.911, "axes": {"activity": 19.18, "binding": 7.75, "selectivity": 4.35, "admet": 2.7, "novelty": 4.34, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.751, "fraction": 0.639}, "binding": {"pIC50": 6.52, "LE": 0.229, "potency_term": 0.507, "efficiency_cap": 0.764}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.507}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.327, "hia-hou": 1.0, "bioavailability-ma": 0.94, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.56, "herg": 0.05, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.751015256668534, "aff_pf": -0.5224055250485738, "aff_hs": 0.3352083166440328, "repeats_pf": {"runs": 3, "values": [-0.4073, -0.4931, -0.6669], "mean": -0.5224, "spread": 0.2596}, "repeats_hs": {"runs": 3, "values": [0.2536, 0.3222, 0.4298], "mean": 0.3352, "spread": 0.1762}, "at": 1787873667}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813276, "scored_at": 1787873667, "alerts": [], "rank": 2997}, {"candidate_id": "ODC-4ED35B", "res_at": 1787264930, "skeleton": "FADWHKPYYXZWSE", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.892, "axes": {"activity": 20.44, "binding": 5.5, "selectivity": 4.09, "admet": 3.34, "novelty": 4.57, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.827, "fraction": 0.681}, "binding": {"pIC50": 6.07, "LE": 0.231, "potency_term": 0.357, "efficiency_cap": 0.77}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.357}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.927, "ld50-zhu": 0.615, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.826506754526488, "aff_pf": -0.0714608629544576, "aff_hs": 1.0724850098292034, "repeats_pf": {"runs": 3, "values": [-0.1723, -0.1036, 0.0615], "mean": -0.0715, "spread": 0.2338}, "repeats_hs": {"runs": 3, "values": [1.0828, 1.0822, 1.0524], "mean": 1.0725, "spread": 0.0304}, "at": 1787264930}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264719, "scored_at": 1787264930, "alerts": [], "rank": 2998}, {"candidate_id": "ODC-1BB4AA", "res_at": 1786847121, "skeleton": "GZEVLECJGURUBW", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.891, "axes": {"activity": 11.31, "binding": 13.63, "selectivity": 4.97, "admet": 4.78, "novelty": 3.16, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.377}, "binding": {"pIC50": 7.04, "LE": 0.402, "potency_term": 0.681, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.365, "target_engagement": 0.681}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.311, "ld50-zhu": 0.613, "herg": 0.296, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.278401189176929, "aff_pf": -1.0440784692764282, "aff_hs": -0.31468892097473145, "repeats_pf": {"runs": 3, "values": [-1.0271, -1.0598, -1.0454], "mean": -1.0441, "spread": 0.0327}, "repeats_hs": {"runs": 3, "values": [-0.4143, -0.2398, -0.2899], "mean": -0.3147, "spread": 0.1745}, "at": 1786847121}, "tier": 1, "relegate_reason": [], "submitted_at": 1786838759, "scored_at": 1786847121, "alerts": [], "rank": 2999}, {"candidate_id": "ODC-407075", "res_at": 1786845075, "skeleton": "QTMQBEHAVGDTPN", "hf_user": "DOATC", "display_name": "SOL_STAB_EFF_01", "model_name": "OPenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 40.887, "axes": {"activity": 13.6, "binding": 12.62, "selectivity": 5.42, "admet": 3.83, "novelty": 2.31, "synthesis": 3.11}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.453}, "binding": {"pIC50": 6.89, "LE": 0.429, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.297, "ld50-zhu": 0.414, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "1", "pAct_q10": 5.416197250634275, "aff_pf": -0.8930428425470988, "aff_hs": -0.03376896182696024, "repeats_pf": {"runs": 3, "values": [-0.911, -0.8106, -0.9576], "mean": -0.893, "spread": 0.147}, "repeats_hs": {"runs": 3, "values": [-0.0384, -0.0165, -0.0463], "mean": -0.0338, "spread": 0.0298}, "at": 1786845075}, "tier": 1, "relegate_reason": [], "submitted_at": 1786836786, "scored_at": 1786845075, "alerts": [], "rank": 3000}, {"candidate_id": "ODC-46907F", "res_at": 1787896020, "skeleton": "RATDVIQMUFCGHH", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-FRESH-01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 40.868, "axes": {"activity": 16.89, "binding": 11.23, "selectivity": 4.07, "admet": 3.36, "novelty": 2.77, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.613, "fraction": 0.563}, "binding": {"pIC50": 6.68, "LE": 0.327, "potency_term": 0.561, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.237, "cyp3a4-substrate-carbonmangels": 0.908, "ld50-zhu": 0.516, "herg": 0.087, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.613454615176139, "aff_pf": -0.6843530933062235, "aff_hs": 0.040336434418956436, "repeats_pf": {"runs": 3, "values": [-0.6053, -0.8383, -0.6094], "mean": -0.6844, "spread": 0.233}, "repeats_hs": {"runs": 3, "values": [0.0013, -0.1187, 0.2385], "mean": 0.0403, "spread": 0.3572}, "at": 1787896020}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841900, "scored_at": 1787896020, "alerts": [], "rank": 3001}, {"candidate_id": "ODC-E7FB1E", "res_at": 1787564880, "skeleton": "NMUFJKPKNKVOAG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 40.866, "axes": {"activity": 17.64, "binding": 10.49, "selectivity": 1.02, "admet": 5.33, "novelty": 4.37, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.658, "fraction": 0.588}, "binding": {"pIC50": 6.57, "LE": 0.311, "potency_term": 0.524, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.914, "cyp2c9-veith": 0.796, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.658215689271556, "aff_pf": -0.573096513748169, "aff_hs": -0.37899043162663776, "repeats_pf": {"runs": 3, "values": [-0.6193, -0.5095, -0.5905], "mean": -0.5731, "spread": 0.1098}, "repeats_hs": {"runs": 3, "values": [-0.4256, -0.3505, -0.3609], "mean": -0.379, "spread": 0.0751}, "at": 1787564880}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556916, "scored_at": 1787564880, "alerts": [], "rank": 3002}, {"candidate_id": "ODC-E9FC90", "res_at": 1787422567, "skeleton": "COOLDESDRUYRHB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········ccc12", "total": 40.861, "axes": {"activity": 21.85, "binding": 5.78, "selectivity": 1.63, "admet": 3.4, "novelty": 5.0, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.911, "fraction": 0.728}, "binding": {"pIC50": 6.14, "LE": 0.227, "potency_term": 0.381, "efficiency_cap": 0.758}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.381}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 0.48, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.911290009587266, "aff_pf": -0.1435607671737671, "aff_hs": 0.2836187283198039, "repeats_pf": {"runs": 3, "values": [-0.0776, -0.1088, -0.2443], "mean": -0.1436, "spread": 0.1667}, "repeats_hs": {"runs": 3, "values": [0.2519, 0.3543, 0.2447], "mean": 0.2836, "spread": 0.1096}, "at": 1787422567}, "tier": 1, "relegate_reason": [], "submitted_at": 1787421069, "scored_at": 1787422567, "alerts": [], "rank": 3003}, {"candidate_id": "ODC-A6C080", "res_at": 1787034460, "skeleton": "IBVLNWVHAXXQFG", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 40.859, "axes": {"activity": 24.59, "binding": 4.16, "selectivity": 0.0, "admet": 2.91, "novelty": 5.98, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 6.075, "fraction": 0.82}, "binding": {"pIC50": 5.8, "LE": 0.234, "potency_term": 0.267, "efficiency_cap": 0.779}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.267}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.41, "hia-hou": 1.0, "bioavailability-ma": 0.789, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.737, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.075205681725103, "aff_pf": 0.19900760551293692, "aff_hs": -0.08845769862333934, "repeats_pf": {"runs": 3, "values": [0.2294, 0.2586, 0.1091], "mean": 0.199, "spread": 0.1495}, "repeats_hs": {"runs": 3, "values": [-0.1151, -0.201, 0.0508], "mean": -0.0885, "spread": 0.2518}, "at": 1787034460}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030889, "scored_at": 1787034460, "alerts": [], "rank": 3004}, {"candidate_id": "ODC-EC3935", "res_at": 1789303144, "skeleton": "FVGWADAVYIXQLC", "hf_user": "trblnfxn", "display_name": "NC-WIN-01_cHexEthO", "model_name": "Hermes-500Da-Champion-v7", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.854, "axes": {"activity": 23.57, "binding": 4.58, "selectivity": 1.15, "admet": 3.14, "novelty": 5.0, "synthesis": 3.42}, "detail": {"activity": {"pAct_q10": 6.014, "fraction": 0.786}, "binding": {"pIC50": 5.87, "LE": 0.237, "potency_term": 0.29, "efficiency_cap": 0.788}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.894, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 6.0141053467866215, "aff_pf": 0.12943074107170105, "aff_hs": 0.5267475048700968, "repeats_pf": {"runs": 3, "values": [0.1059, 0.1492, 0.1331], "mean": 0.1294, "spread": 0.0433}, "repeats_hs": {"runs": 3, "values": [0.5224, 0.5527, 0.5052], "mean": 0.5267, "spread": 0.0474}, "at": 1789303144}, "tier": 1, "alerts": [], "total_sd": 0.112, "total_ci95": [40.646, 41.085], "relegate_reason": [], "submitted_at": 1789299086, "scored_at": 1789303144, "rank": 3005}, {"candidate_id": "ODC-6505CC", "res_at": 1789952413, "skeleton": "GVJAAPXSNPAHPV", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 40.853, "axes": {"activity": 17.09, "binding": 8.27, "selectivity": 6.25, "admet": 3.43, "novelty": 3.88, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 6.47, "LE": 0.253, "potency_term": 0.49, "efficiency_cap": 0.844}, "selectivity": {"fold": 18.9, "selectivity_term": 0.638, "target_engagement": 0.49}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.611, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "0", "pAct_q10": 5.625515419529467, "aff_pf": -0.46936140457789105, "aff_hs": 0.8076059818267822, "repeats_pf": {"runs": 3, "values": [-0.4056, -0.4677, -0.5348], "mean": -0.4694, "spread": 0.1292}, "repeats_hs": {"runs": 3, "values": [0.911, 0.8132, 0.6986], "mean": 0.8076, "spread": 0.2124}, "at": 1789952413}, "tier": 1, "alerts": [], "total_sd": 0.572, "total_ci95": [39.693, 41.922], "relegate_reason": [], "submitted_at": 1789837516, "scored_at": 1789952413, "rank": 3006}, {"candidate_id": "ODC-D9170B", "res_at": 1787950635, "skeleton": "JXVQVQSJYGJEMR", "hf_user": "Bio-JS", "display_name": "A4 소형 2-메틸 x 싸이에탄-CH2F + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.851, "axes": {"activity": 9.73, "binding": 12.76, "selectivity": 7.82, "admet": 3.55, "novelty": 4.48, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.184, "fraction": 0.324}, "binding": {"pIC50": 6.91, "LE": 0.379, "potency_term": 0.638, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.613, "target_engagement": 0.638}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.357, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.43}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.183673248324959, "aff_pf": -0.913973887761434, "aff_hs": 0.3111591935157776, "repeats_pf": {"runs": 3, "values": [-0.9879, -0.8207, -0.9333], "mean": -0.914, "spread": 0.1672}, "repeats_hs": {"runs": 3, "values": [0.3003, 0.3776, 0.2556], "mean": 0.3112, "spread": 0.122}, "at": 1787950635}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945132, "scored_at": 1787950635, "alerts": [], "rank": 3007}, {"candidate_id": "ODC-8D40F9", "res_at": 1787872993, "skeleton": "AKDFBCMKNRSHSB", "hf_user": "Bio-JS", "display_name": "4원설폰팔 x N-아세틸-3-(플루오로메틸)아제티딘", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 40.85, "axes": {"activity": 16.14, "binding": 11.59, "selectivity": 4.55, "admet": 2.28, "novelty": 3.96, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 7.05, "LE": 0.254, "potency_term": 0.684, "efficiency_cap": 0.847}, "selectivity": {"fold": 4.6, "selectivity_term": 0.333, "target_engagement": 0.684}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.254, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.762, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.568227538296098, "aff_pf": -1.0518394311269124, "aff_hs": -0.38675229748090106, "repeats_pf": {"runs": 3, "values": [-0.9789, -1.0126, -1.164], "mean": -1.0518, "spread": 0.1852}, "repeats_hs": {"runs": 3, "values": [-0.7362, -0.2469, -0.1771], "mean": -0.3868, "spread": 0.5591}, "at": 1787872993}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813269, "scored_at": 1787872993, "alerts": [], "rank": 3008}, {"candidate_id": "ODC-E1BE1E", "res_at": 1786985617, "skeleton": "WMWAOOUIDDOFHL", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-10", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.822, "axes": {"activity": 13.65, "binding": 13.45, "selectivity": 3.57, "admet": 4.38, "novelty": 2.76, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.02, "LE": 0.401, "potency_term": 0.673, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.673}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.362, "ld50-zhu": 0.86, "herg": 0.24, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.418902008986274, "aff_pf": -1.0177013079325359, "aff_hs": -0.48631959160168964, "repeats_pf": {"runs": 3, "values": [-1.0617, -1.028, -0.9634], "mean": -1.0177, "spread": 0.0984}, "repeats_hs": {"runs": 3, "values": [-0.351, -0.5716, -0.5363], "mean": -0.4863, "spread": 0.2206}, "at": 1786985617}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980878, "scored_at": 1786985617, "alerts": [], "rank": 3009}, {"candidate_id": "ODC-29AB54", "res_at": 1789310999, "skeleton": "IWGFBIKRECKWNN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 40.822, "axes": {"activity": 15.67, "binding": 14.22, "selectivity": 1.54, "admet": 3.2, "novelty": 3.33, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.54, "fraction": 0.522}, "binding": {"pIC50": 7.13, "LE": 0.326, "potency_term": 0.711, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.108, "target_engagement": 0.711}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.97, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.484, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.531, "novelty": 0.469}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.539982950741162, "aff_pf": -1.1333157221476238, "aff_hs": -0.916848381360372, "repeats_pf": {"runs": 3, "values": [-1.1425, -1.1642, -1.0932], "mean": -1.1333, "spread": 0.0711}, "repeats_hs": {"runs": 3, "values": [-0.9408, -0.8988, -0.911], "mean": -0.9168, "spread": 0.042}, "at": 1789310999}, "tier": 1, "alerts": [], "total_sd": 0.321, "total_ci95": [40.138, 41.379], "relegate_reason": [], "submitted_at": 1789308633, "scored_at": 1789310999, "rank": 3010}, {"candidate_id": "ODC-6E5ECB", "res_at": 1786834392, "skeleton": "TYKUDNOLNXBUEZ", "hf_user": "DOATC", "display_name": "SOL_EFFICACY_01", "model_name": "OpenAI GpT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.812, "axes": {"activity": 11.82, "binding": 12.86, "selectivity": 6.24, "admet": 3.95, "novelty": 2.91, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 6.93, "LE": 0.431, "potency_term": 0.643, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.643}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.178, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.441, "herg": 0.157, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "1", "pAct_q10": 5.309472660234803, "aff_pf": -0.928703765074412, "aff_hs": 0.04208373030026754, "repeats_pf": {"runs": 3, "values": [-0.8368, -1.0166, -0.9327], "mean": -0.9287, "spread": 0.1799}, "repeats_hs": {"runs": 3, "values": [0.0044, 0.0179, 0.1039], "mean": 0.0421, "spread": 0.0994}, "at": 1786834392}, "tier": 1, "relegate_reason": [], "submitted_at": 1786798213, "scored_at": 1786834392, "alerts": [], "rank": 3011}, {"candidate_id": "ODC-CECA4B", "res_at": 1786843959, "skeleton": "UJAWSXRBQZDYCE", "hf_user": "ALEX32321", "display_name": "ALEXAI-Final8-V18-CoreF", "model_name": "OpenCrab-ALEXAI final-8 benchmark v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.812, "axes": {"activity": 12.21, "binding": 11.12, "selectivity": 6.79, "admet": 4.93, "novelty": 3.51, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.333, "fraction": 0.407}, "binding": {"pIC50": 6.67, "LE": 0.415, "potency_term": 0.556, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.7, "selectivity_term": 0.611, "target_engagement": 0.556}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.503, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.8, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.389, "herg": 0.868, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "1", "pAct_q10": 5.332540437832294, "aff_pf": -0.6685945789019266, "aff_hs": 0.5528827706972758, "repeats_pf": {"runs": 3, "values": [-0.7626, -0.564, -0.6792], "mean": -0.6686, "spread": 0.1987}, "repeats_hs": {"runs": 3, "values": [0.5171, 0.6893, 0.4523], "mean": 0.5529, "spread": 0.2371}, "at": 1786843959}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837527, "scored_at": 1786843959, "alerts": [], "rank": 3012}, {"candidate_id": "ODC-C094F2", "res_at": 1787012793, "skeleton": "WKQZQFLFHQPENG", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 40.79, "axes": {"activity": 26.24, "binding": 1.8, "selectivity": 0.0, "admet": 3.27, "novelty": 5.87, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.175, "fraction": 0.875}, "binding": {"pIC50": 5.36, "LE": 0.223, "potency_term": 0.121, "efficiency_cap": 0.742}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.121}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.674, "herg": 0.05, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.174602718315541, "aff_pf": 0.636241614818573, "aff_hs": -0.46871887644131977, "repeats_pf": {"runs": 3, "values": [0.3608, 1.1285, 0.4194], "mean": 0.6362, "spread": 0.7677}, "repeats_hs": {"runs": 3, "values": [-0.4361, -0.3815, -0.5885], "mean": -0.4687, "spread": 0.2071}, "at": 1787012793}, "tier": 1, "relegate_reason": [], "submitted_at": 1787012566, "scored_at": 1787012793, "alerts": [], "rank": 3013}, {"candidate_id": "ODC-9F63F1", "res_at": 1788136660, "skeleton": "GXCRPKBBOYAAJN", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-04]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 40.786, "axes": {"activity": 14.07, "binding": 11.61, "selectivity": 5.59, "admet": 4.1, "novelty": 2.69, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 6.74, "LE": 0.369, "potency_term": 0.581, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.481, "target_engagement": 0.581}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.204, "cyp3a4-substrate-carbonmangels": 0.754, "ld50-zhu": 0.539, "herg": 0.217, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.44421940432985, "aff_pf": -0.7420188585917155, "aff_hs": 0.22090711196263632, "repeats_pf": {"runs": 3, "values": [-0.7823, -0.8582, -0.5856], "mean": -0.742, "spread": 0.2725}, "repeats_hs": {"runs": 3, "values": [0.1796, 0.2077, 0.2754], "mean": 0.2209, "spread": 0.0958}, "at": 1788136660}, "tier": 1, "alerts": [], "total_sd": 1.519, "total_ci95": [37.61, 43.23], "relegate_reason": [], "submitted_at": 1788136254, "scored_at": 1788136660, "rank": 3014}, {"candidate_id": "ODC-75F116", "res_at": 1789365517, "skeleton": "FPQVBLZBGSUNDZ", "hf_user": "Bio-JS", "display_name": "0914-S1-div26", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 40.776, "axes": {"activity": 16.78, "binding": 11.03, "selectivity": 3.98, "admet": 3.13, "novelty": 3.65, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 6.65, "LE": 0.326, "potency_term": 0.551, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.361, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.915, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.623, "herg": 0.065, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.6067582453678435, "aff_pf": -0.6538055539131165, "aff_hs": 0.06795282413562138, "repeats_pf": {"runs": 3, "values": [-0.6046, -0.7638, -0.593], "mean": -0.6538, "spread": 0.1708}, "repeats_hs": {"runs": 3, "values": [-0.0062, 0.1338, 0.0762], "mean": 0.068, "spread": 0.14}, "at": 1789365517}, "tier": 1, "alerts": [], "total_sd": 0.818, "total_ci95": [39.755, 42.929], "relegate_reason": [], "submitted_at": 1789346182, "scored_at": 1789365517, "rank": 3015}, {"candidate_id": "ODC-678836", "res_at": 1788223639, "skeleton": "HXIPJOBCYXPSBS", "hf_user": "Bio-JS", "display_name": "0901-S1 파라 CF3 x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.758, "axes": {"activity": 19.42, "binding": 8.1, "selectivity": 3.27, "admet": 2.73, "novelty": 4.35, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.765, "fraction": 0.647}, "binding": {"pIC50": 6.41, "LE": 0.258, "potency_term": 0.47, "efficiency_cap": 0.861}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.47}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.246, "ld50-zhu": 0.588, "herg": 0.05, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.765233009044512, "aff_pf": -0.41119394699732464, "aff_hs": 0.2842597762743632, "repeats_pf": {"runs": 3, "values": [-0.3344, -0.4641, -0.4351], "mean": -0.4112, "spread": 0.1297}, "repeats_hs": {"runs": 3, "values": [0.4135, 0.2644, 0.1749], "mean": 0.2843, "spread": 0.2385}, "at": 1788223639}, "tier": 1, "alerts": [], "total_sd": 0.513, "total_ci95": [39.705, 41.657], "relegate_reason": [], "submitted_at": 1788222303, "scored_at": 1788223639, "rank": 3016}, {"candidate_id": "ODC-464260", "res_at": 1789047635, "skeleton": "ZAGMWUYZNZEZKV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 40.753, "axes": {"activity": 12.86, "binding": 13.41, "selectivity": 4.23, "admet": 4.8, "novelty": 2.45, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 7.01, "LE": 0.4, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.316, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.724, "cyp2c9-veith": 0.532, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.068, "dili": 0.253}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.371641651781348, "aff_pf": -1.0118825435638428, "aff_hs": -0.38039952516555786, "repeats_pf": {"runs": 3, "values": [-1.0587, -1.0464, -0.9306], "mean": -1.0119, "spread": 0.1281}, "repeats_hs": {"runs": 3, "values": [-0.3875, -0.3637, -0.39], "mean": -0.3804, "spread": 0.0263}, "at": 1789047635}, "tier": 1, "alerts": [], "total_sd": 0.731, "total_ci95": [39.824, 41.723], "relegate_reason": [], "submitted_at": 1789040605, "scored_at": 1789047635, "rank": 3017}, {"candidate_id": "ODC-80A866", "res_at": 1787408552, "skeleton": "RQIGSCYVIRAUEM", "hf_user": "takutoyo", "display_name": "PfD13-10", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 40.726, "axes": {"activity": 20.12, "binding": 9.96, "selectivity": 1.46, "admet": 2.23, "novelty": 4.91, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.807, "fraction": 0.671}, "binding": {"pIC50": 6.75, "LE": 0.257, "potency_term": 0.582, "efficiency_cap": 0.856}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.222, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.245, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.791, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "3", "pAct_q10": 5.807226119581489, "aff_pf": -0.7457825740178426, "aff_hs": -0.4943155149618785, "repeats_pf": {"runs": 3, "values": [-0.6727, -0.8581, -0.7066], "mean": -0.7458, "spread": 0.1855}, "repeats_hs": {"runs": 3, "values": [-0.4849, -0.4204, -0.5776], "mean": -0.4943, "spread": 0.1572}, "at": 1787408552}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406735, "scored_at": 1787408552, "alerts": [], "rank": 3018}, {"candidate_id": "ODC-7925A7", "res_at": 1787616849, "skeleton": "KRQGMRNAUOABPQ", "hf_user": "Moonweave", "display_name": "M5AI-SA-CAND-03", "model_name": "OpenAI Codex — selectivity/ADMET diagnostic", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 40.723, "axes": {"activity": 17.32, "binding": 11.38, "selectivity": 3.87, "admet": 2.75, "novelty": 2.52, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 6.71, "LE": 0.353, "potency_term": 0.569, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.569}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.32, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.563, "novelty": 0.437}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 5.6394860796460256, "aff_pf": -0.7065996726353964, "aff_hs": -0.027068739136060078, "repeats_pf": {"runs": 3, "values": [-0.7222, -0.6829, -0.7147], "mean": -0.7066, "spread": 0.0392}, "repeats_hs": {"runs": 3, "values": [-0.0705, 0.1045, -0.1152], "mean": -0.0271, "spread": 0.2197}, "at": 1787616849}, "tier": 1, "relegate_reason": [], "submitted_at": 1787615599, "scored_at": 1787616849, "alerts": [], "rank": 3019}, {"candidate_id": "ODC-B747C9", "res_at": 1786895563, "skeleton": "SMHBBNZTXSJAQP", "hf_user": "ALEX32321", "display_name": "ALEXAI-RECLAIM-V07-01-CSc-CF2Et-pCF3-mF", "model_name": "OpenAI GPT-5.6 Sol + OpenCrab Curated6", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.72, "axes": {"activity": 14.4, "binding": 12.09, "selectivity": 4.91, "admet": 3.51, "novelty": 3.18, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 6.81, "LE": 0.346, "potency_term": 0.605, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.605}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.97, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.686, "ld50-zhu": 0.581, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.46383244598604, "aff_pf": -0.8140966097513834, "aff_hs": -0.0019387205441792805, "repeats_pf": {"runs": 3, "values": [-0.8543, -0.7771, -0.8108], "mean": -0.8141, "spread": 0.0772}, "repeats_hs": {"runs": 3, "values": [-0.0502, 0.1285, -0.0841], "mean": -0.0019, "spread": 0.2126}, "at": 1786895563}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880395, "scored_at": 1786895563, "alerts": [], "rank": 3020}, {"candidate_id": "ODC-85752D", "res_at": 1788602590, "skeleton": "KCZNQZAZZOPWHT", "hf_user": "sunglee", "display_name": "tbseek channel-check2", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)S(··········)c1Cl", "total": 40.72, "axes": {"activity": 9.21, "binding": 14.29, "selectivity": 4.28, "admet": 7.01, "novelty": 5.73, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 5.153, "fraction": 0.307}, "binding": {"pIC50": 7.26, "LE": 0.284, "potency_term": 0.754, "efficiency_cap": 0.947}, "selectivity": {"fold": 3.7, "selectivity_term": 0.284, "target_engagement": 0.754}, "admet": {"geometric_mean": 0.654, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 0.982, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.796, "cyp3a4-substrate-carbonmangels": 0.665, "ld50-zhu": 0.925, "herg": 0.284, "dili": 0.488}}, "novelty": {"max_tanimoto": 0.198, "novelty": 0.802}, "synthesis": {"sa_score": 5.8}}, "run": {"gpu": "0", "pAct_q10": 5.1526967523955545, "aff_pf": -1.2617024978001912, "aff_hs": -0.6944204370180765, "repeats_pf": {"runs": 3, "values": [-1.2994, -1.1874, -1.2983], "mean": -1.2617, "spread": 0.112}, "repeats_hs": {"runs": 3, "values": [-0.7213, -0.6369, -0.7251], "mean": -0.6944, "spread": 0.0883}, "at": 1788602590}, "tier": 1, "alerts": [], "total_sd": 0.758, "total_ci95": [39.567, 41.894], "relegate_reason": [], "submitted_at": 1788576359, "scored_at": 1788602590, "rank": 3021}, {"candidate_id": "ODC-82BE23", "res_at": 1787240990, "skeleton": "YQTXABJBVUSRRY", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-B01", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 40.708, "axes": {"activity": 16.12, "binding": 11.49, "selectivity": 4.66, "admet": 3.04, "novelty": 2.95, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 6.72, "LE": 0.318, "potency_term": 0.574, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.574}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.174, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.566908544960153, "aff_pf": -0.7232330838839213, "aff_hs": 0.08875564734141032, "repeats_pf": {"runs": 3, "values": [-0.7645, -0.6643, -0.7409], "mean": -0.7232, "spread": 0.1003}, "repeats_hs": {"runs": 3, "values": [0.1465, 0.0834, 0.0364], "mean": 0.0888, "spread": 0.1101}, "at": 1787240990}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234845, "scored_at": 1787240990, "alerts": [], "rank": 3022}, {"candidate_id": "ODC-3129E1", "res_at": 1787063374, "skeleton": "DKMQJBJEDYVQCF", "hf_user": "Nicolas-007", "display_name": "Loka", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Clc1ccc··········nc2c1", "total": 40.678, "axes": {"activity": 26.42, "binding": 0.46, "selectivity": 0.0, "admet": 9.39, "novelty": 0.0, "synthesis": 4.4}, "detail": {"activity": {"pAct_q10": 6.185, "fraction": 0.881}, "binding": {"pIC50": 4.41, "LE": 0.302, "potency_term": 0.023, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.711, "per_endpoint": {"solubility-aqsoldb": 0.688, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.572, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 6.185431745953241, "aff_pf": 1.5913163820902507, "aff_hs": 1.1508593161900837, "repeats_pf": {"runs": 3, "values": [1.8038, 1.438, 1.5321], "mean": 1.5913, "spread": 0.3657}, "repeats_hs": {"runs": 3, "values": [1.1368, 1.1384, 1.1774], "mean": 1.1509, "spread": 0.0406}, "at": 1787063374}, "tier": 1, "relegate_reason": [], "submitted_at": 1787062585, "scored_at": 1787063374, "alerts": [], "rank": 3023}, {"candidate_id": "ODC-7E89CB", "res_at": 1788267690, "skeleton": "MLICMMCWQMZJPR", "hf_user": "Ku-ku", "display_name": "KK-M-0831-712", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNc1cc(··········nc2n1", "total": 40.671, "axes": {"activity": 12.32, "binding": 10.99, "selectivity": 6.28, "admet": 5.48, "novelty": 3.61, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.339, "fraction": 0.411}, "binding": {"pIC50": 6.65, "LE": 0.379, "potency_term": 0.549, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.549}, "admet": {"geometric_mean": 0.666, "per_endpoint": {"solubility-aqsoldb": 0.802, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.739, "cyp3a4-substrate-carbonmangels": 0.549, "ld50-zhu": 0.475, "herg": 0.105, "dili": 0.818}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.338934511127038, "aff_pf": -0.6480245391527811, "aff_hs": 0.49482526381810504, "repeats_pf": {"runs": 3, "values": [-0.6886, -0.6129, -0.6425], "mean": -0.648, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [0.3435, 0.4078, 0.7332], "mean": 0.4948, "spread": 0.3897}, "at": 1788267690}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.644, "total_ci95": [39.499, 42.212], "relegate_reason": [], "submitted_at": 1788231439, "scored_at": 1788267690, "rank": 3024}, {"candidate_id": "ODC-CF8728", "res_at": 1788086724, "skeleton": "KREGLQNILMBEMA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.669, "axes": {"activity": 8.35, "binding": 15.36, "selectivity": 5.85, "admet": 5.37, "novelty": 2.51, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 7.3, "LE": 0.385, "potency_term": 0.768, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.768}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.683, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.494, "herg": 0.181, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.101145012672269, "aff_pf": -1.304558237393697, "aff_hs": -0.5424915552139282, "repeats_pf": {"runs": 3, "values": [-1.2387, -1.2853, -1.3897], "mean": -1.3046, "spread": 0.151}, "repeats_hs": {"runs": 3, "values": [-0.6004, -0.516, -0.5111], "mean": -0.5425, "spread": 0.0892}, "at": 1788086724}, "tier": 1, "alerts": [], "total_sd": 0.773, "total_ci95": [39.266, 42.303], "relegate_reason": [], "submitted_at": 1788078778, "scored_at": 1788086724, "rank": 3025}, {"candidate_id": "ODC-F9519D", "res_at": 1789263470, "skeleton": "HBTJAKFGUPAHEM", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.667, "axes": {"activity": 16.56, "binding": 11.53, "selectivity": 3.89, "admet": 3.45, "novelty": 2.75, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 6.73, "LE": 0.355, "potency_term": 0.576, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.337, "target_engagement": 0.576}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.525, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.593705176459332, "aff_pf": -0.7290436824162801, "aff_hs": -0.05480557680130005, "repeats_pf": {"runs": 3, "values": [-0.7542, -0.6885, -0.7445], "mean": -0.729, "spread": 0.0657}, "repeats_hs": {"runs": 3, "values": [-0.011, -0.0635, -0.09], "mean": -0.0548, "spread": 0.079}, "at": 1789263470}, "tier": 1, "alerts": [], "total_sd": 0.336, "total_ci95": [39.972, 41.292], "relegate_reason": [], "submitted_at": 1789262682, "scored_at": 1789263470, "rank": 3026}, {"candidate_id": "ODC-A97ADC", "res_at": 1787583427, "skeleton": "DPMUTDPRZOKZHY", "hf_user": "takutoyo", "display_name": "PfD17-07", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 40.633, "axes": {"activity": 21.03, "binding": 9.82, "selectivity": 0.0, "admet": 2.57, "novelty": 4.79, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.862, "fraction": 0.701}, "binding": {"pIC50": 6.69, "LE": 0.262, "potency_term": 0.563, "efficiency_cap": 0.873}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.386, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.164}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.861767662380371, "aff_pf": -0.6878539125124613, "aff_hs": -0.9572895169258118, "repeats_pf": {"runs": 3, "values": [-0.5556, -0.8483, -0.6597], "mean": -0.6879, "spread": 0.2926}, "repeats_hs": {"runs": 3, "values": [-1.081, -0.9919, -0.799], "mean": -0.9573, "spread": 0.282}, "at": 1787583427}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581719, "scored_at": 1787583427, "alerts": [], "rank": 3027}, {"candidate_id": "ODC-D7FF20", "res_at": 1787568007, "skeleton": "QRCNJEHQOQIGFW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.62, "axes": {"activity": 13.74, "binding": 13.06, "selectivity": 3.36, "admet": 5.15, "novelty": 2.38, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 6.96, "LE": 0.381, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.257, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.987, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.419, "herg": 0.293, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.424436025781074, "aff_pf": -0.9595004717508951, "aff_hs": -0.44568920135498047, "repeats_pf": {"runs": 3, "values": [-0.9647, -0.9125, -1.0013], "mean": -0.9595, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [-0.4804, -0.4025, -0.4542], "mean": -0.4457, "spread": 0.0778}, "at": 1787568007}, "tier": 1, "relegate_reason": [], "submitted_at": 1787564990, "scored_at": 1787568007, "alerts": [], "rank": 3028}, {"candidate_id": "ODC-FE1B49", "res_at": 1787040557, "skeleton": "VAUATBLORLEATC", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)c1Cl", "total": 40.564, "axes": {"activity": 14.55, "binding": 11.76, "selectivity": 4.2, "admet": 4.26, "novelty": 3.51, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 6.76, "LE": 0.421, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.357, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.372, "cyp3a4-substrate-carbonmangels": 0.454, "ld50-zhu": 0.459, "herg": 0.684, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.47324367772776, "aff_pf": -0.7641355991363525, "aff_hs": -0.05051828424135844, "repeats_pf": {"runs": 3, "values": [-0.7015, -0.7618, -0.8291], "mean": -0.7641, "spread": 0.1275}, "repeats_hs": {"runs": 3, "values": [-0.0557, -0.0895, -0.0064], "mean": -0.0505, "spread": 0.083}, "at": 1787040557}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038271, "scored_at": 1787040557, "alerts": [], "rank": 3029}, {"candidate_id": "ODC-F59AA2", "res_at": 1788173061, "skeleton": "ZWZSFOCRJFGVJA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 40.559, "axes": {"activity": 11.52, "binding": 12.3, "selectivity": 6.58, "admet": 4.96, "novelty": 2.72, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.291, "fraction": 0.384}, "binding": {"pIC50": 6.85, "LE": 0.375, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.781, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.668, "herg": 0.682, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.290971399134258, "aff_pf": -0.8453378677368164, "aff_hs": 0.2238586942354838, "repeats_pf": {"runs": 3, "values": [-0.8486, -0.8261, -0.8613], "mean": -0.8453, "spread": 0.0352}, "repeats_hs": {"runs": 3, "values": [0.1652, 0.1871, 0.3193], "mean": 0.2239, "spread": 0.154}, "at": 1788173061}, "tier": 1, "alerts": [], "total_sd": 0.305, "total_ci95": [40.034, 41.183], "relegate_reason": [], "submitted_at": 1788172716, "scored_at": 1788173061, "rank": 3030}, {"candidate_id": "ODC-39132A", "res_at": 1787305386, "skeleton": "BPUPQQDZHLXBCJ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1cc(Br)c(C(=O)NC2CC2)s1", "smiles_masked": null, "total": 40.555, "axes": {"activity": 10.7, "binding": 13.19, "selectivity": 8.04, "admet": 3.76, "novelty": 1.91, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.242, "fraction": 0.357}, "binding": {"pIC50": 6.98, "LE": 0.398, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.6, "selectivity_term": 0.61, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.461, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.5, "herg": 0.05, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.71, "novelty": 0.29}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.242152785551823, "aff_pf": -0.9778156280517578, "aff_hs": 0.24165907502174377, "repeats_pf": {"runs": 3, "values": [-1.0242, -1.0026, -0.9067], "mean": -0.9778, "spread": 0.1175}, "repeats_hs": {"runs": 3, "values": [0.2721, 0.3257, 0.1272], "mean": 0.2417, "spread": 0.1985}, "at": 1787305386}, "tier": 1, "relegate_reason": [], "submitted_at": 1787305028, "scored_at": 1787305386, "alerts": [], "rank": 3031}, {"candidate_id": "ODC-908C1B", "res_at": 1788967610, "skeleton": "HVWIGQDOAFCTQO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.544, "axes": {"activity": 14.66, "binding": 13.06, "selectivity": 3.86, "admet": 3.76, "novelty": 2.32, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 6.96, "LE": 0.367, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.296, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.295, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.644, "novelty": 0.356}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.4795794330300405, "aff_pf": -0.9595837593078613, "aff_hs": -0.3681715627511342, "repeats_pf": {"runs": 3, "values": [-0.9928, -0.9086, -0.9774], "mean": -0.9596, "spread": 0.0842}, "repeats_hs": {"runs": 3, "values": [-0.2147, -0.4677, -0.4221], "mean": -0.3682, "spread": 0.2531}, "at": 1788967610}, "tier": 1, "alerts": [], "total_sd": 0.551, "total_ci95": [39.45, 41.659], "relegate_reason": [], "submitted_at": 1788963938, "scored_at": 1788967610, "rank": 3032}, {"candidate_id": "ODC-03704B", "res_at": 1789108458, "skeleton": "RNGAYLJYSHAGHC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.532, "axes": {"activity": 14.0, "binding": 13.96, "selectivity": 3.48, "admet": 3.74, "novelty": 2.2, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.44, "fraction": 0.467}, "binding": {"pIC50": 7.09, "LE": 0.389, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.249, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.943, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.685, "novelty": 0.315}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.439731480833557, "aff_pf": -1.0936386982599895, "aff_hs": -0.594891756772995, "repeats_pf": {"runs": 3, "values": [-1.1346, -1.1226, -1.0237], "mean": -1.0936, "spread": 0.1109}, "repeats_hs": {"runs": 3, "values": [-0.5903, -0.7049, -0.4894], "mean": -0.5949, "spread": 0.2155}, "at": 1789108458}, "tier": 1, "alerts": [], "total_sd": 0.655, "total_ci95": [39.174, 41.854], "relegate_reason": [], "submitted_at": 1789093938, "scored_at": 1789108458, "rank": 3033}, {"candidate_id": "ODC-32ED20", "res_at": 1788963914, "skeleton": "SGDBVXSWRRTJMK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 40.53, "axes": {"activity": 11.27, "binding": 12.5, "selectivity": 7.8, "admet": 4.12, "novelty": 1.73, "synthesis": 3.12}, "detail": {"activity": {"pAct_q10": 5.276, "fraction": 0.376}, "binding": {"pIC50": 6.87, "LE": 0.428, "potency_term": 0.625, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.625}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.505, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.408, "herg": 0.05, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 5.2760608989129585, "aff_pf": -0.8744721015294393, "aff_hs": 0.37339218457539874, "repeats_pf": {"runs": 3, "values": [-0.9594, -0.7887, -0.8753], "mean": -0.8745, "spread": 0.1707}, "repeats_hs": {"runs": 3, "values": [0.3721, 0.36, 0.3881], "mean": 0.3734, "spread": 0.0281}, "at": 1788963914}, "tier": 1, "alerts": [], "total_sd": 0.893, "total_ci95": [38.711, 42.384], "relegate_reason": [], "submitted_at": 1788963040, "scored_at": 1788963914, "rank": 3034}, {"candidate_id": "ODC-010118", "res_at": 1787583023, "skeleton": "DELKSFAFSIEAOP", "hf_user": "takutoyo", "display_name": "PfD17-05", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.528, "axes": {"activity": 25.61, "binding": 3.6, "selectivity": 0.0, "admet": 3.24, "novelty": 4.88, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 6.136, "fraction": 0.854}, "binding": {"pIC50": 5.69, "LE": 0.236, "potency_term": 0.229, "efficiency_cap": 0.787}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.229}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.171, "ld50-zhu": 0.821, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 6.136397892663883, "aff_pf": 0.3138455351193746, "aff_hs": 0.027257993817329407, "repeats_pf": {"runs": 3, "values": [0.4037, 0.3245, 0.2133], "mean": 0.3138, "spread": 0.1904}, "repeats_hs": {"runs": 3, "values": [0.2623, 0.1699, -0.3503], "mean": 0.0273, "spread": 0.6126}, "at": 1787583023}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581698, "scored_at": 1787583023, "alerts": [], "rank": 3035}, {"candidate_id": "ODC-8E4462", "res_at": 1788522529, "skeleton": "DYDNWVNBGYTJQM", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 40.51, "axes": {"activity": 14.23, "binding": 11.44, "selectivity": 5.35, "admet": 3.48, "novelty": 3.79, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.474}, "binding": {"pIC50": 6.72, "LE": 0.329, "potency_term": 0.572, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.207, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.454040716723768, "aff_pf": -0.716117242972056, "aff_hs": 0.21881573895613352, "repeats_pf": {"runs": 3, "values": [-0.6063, -0.8286, -0.7135], "mean": -0.7161, "spread": 0.2223}, "repeats_hs": {"runs": 3, "values": [0.2457, 0.1509, 0.2599], "mean": 0.2188, "spread": 0.109}, "at": 1788522529}, "tier": 1, "alerts": [], "total_sd": 1.145, "total_ci95": [38.436, 42.918], "relegate_reason": [], "submitted_at": 1788489399, "scored_at": 1788522529, "rank": 3036}, {"candidate_id": "ODC-EB0928", "res_at": 1787698618, "skeleton": "FLYZDXPVMYBKGW", "hf_user": "Bio-JS", "display_name": "동일무게·질소: 다이옥소싸이오모르폴린-피리딘 (14)", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.497, "axes": {"activity": 17.58, "binding": 9.65, "selectivity": 4.53, "admet": 2.4, "novelty": 4.03, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 6.7, "LE": 0.255, "potency_term": 0.568, "efficiency_cap": 0.85}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.568}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.275, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.406, "herg": 0.05, "dili": 0.266}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.654893506560618, "aff_pf": -0.7028900186220804, "aff_hs": 0.09600913524627686, "repeats_pf": {"runs": 3, "values": [-0.791, -0.7116, -0.6061], "mean": -0.7029, "spread": 0.1849}, "repeats_hs": {"runs": 3, "values": [0.046, 0.1629, 0.0792], "mean": 0.096, "spread": 0.1169}, "at": 1787698618}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696985, "scored_at": 1787698618, "alerts": [], "rank": 3037}, {"candidate_id": "ODC-67E757", "res_at": 1789879734, "skeleton": "XILXGNPQJUOVAJ", "hf_user": "Bio-JS", "display_name": "0917-S1-div20", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 40.49, "axes": {"activity": 13.61, "binding": 10.89, "selectivity": 6.61, "admet": 3.83, "novelty": 3.33, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.454}, "binding": {"pIC50": 6.63, "LE": 0.35, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.3, "selectivity_term": 0.607, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.233, "ld50-zhu": 0.622, "herg": 0.081, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.416366155604569, "aff_pf": -0.6340834299723307, "aff_hs": 0.5791318416595459, "repeats_pf": {"runs": 3, "values": [-0.6691, -0.588, -0.6452], "mean": -0.6341, "spread": 0.0811}, "repeats_hs": {"runs": 3, "values": [0.6263, 0.5494, 0.5617], "mean": 0.5791, "spread": 0.077}, "at": 1789879734}, "tier": 1, "alerts": [], "total_sd": 0.459, "total_ci95": [39.602, 41.227], "relegate_reason": [], "submitted_at": 1789628630, "scored_at": 1789879734, "rank": 3038}, {"candidate_id": "ODC-63862A", "res_at": 1788610362, "skeleton": "KIKVZHXTLQKUIB", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 40.468, "axes": {"activity": 13.66, "binding": 10.58, "selectivity": 7.82, "admet": 3.31, "novelty": 2.81, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 6.59, "LE": 0.347, "potency_term": 0.529, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.0, "selectivity_term": 0.739, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.466, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.419393982880148, "aff_pf": -0.5872555573781332, "aff_hs": 0.8898541529973348, "repeats_pf": {"runs": 3, "values": [-0.5461, -0.6382, -0.5775], "mean": -0.5873, "spread": 0.0921}, "repeats_hs": {"runs": 3, "values": [0.8507, 0.8688, 0.95], "mean": 0.8899, "spread": 0.0993}, "at": 1788610362}, "tier": 1, "alerts": [], "total_sd": 0.552, "total_ci95": [39.56, 41.754], "relegate_reason": [], "submitted_at": 1788583614, "scored_at": 1788610362, "rank": 3039}, {"candidate_id": "ODC-1DA387", "res_at": 1786978200, "skeleton": "CUSWSBZUOYWUIY", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.466, "axes": {"activity": 15.32, "binding": 10.83, "selectivity": 5.45, "admet": 4.01, "novelty": 2.21, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.519, "fraction": 0.511}, "binding": {"pIC50": 6.62, "LE": 0.395, "potency_term": 0.541, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.503, "target_engagement": 0.541}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.644, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.434, "herg": 0.519, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.592, "novelty": 0.408}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "2", "pAct_q10": 5.519113539565438, "aff_pf": -0.6243374347686768, "aff_hs": 0.3813146750132243, "repeats_pf": {"runs": 3, "values": [-0.4903, -0.5782, -0.8045], "mean": -0.6243, "spread": 0.3141}, "repeats_hs": {"runs": 3, "values": [0.3692, 0.4625, 0.3122], "mean": 0.3813, "spread": 0.1504}, "at": 1786978200}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976572, "scored_at": 1786978200, "alerts": [], "rank": 3040}, {"candidate_id": "ODC-8C114E", "res_at": 1787730505, "skeleton": "LGICYVLAILYXGW", "hf_user": "Bio-JS", "display_name": "C 싸이에탄 S -> CH2 (사이클로뷰테인)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.464, "axes": {"activity": 17.32, "binding": 11.03, "selectivity": 3.35, "admet": 2.41, "novelty": 3.95, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 6.93, "LE": 0.257, "potency_term": 0.645, "efficiency_cap": 0.856}, "selectivity": {"fold": 3.3, "selectivity_term": 0.26, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.279, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.806, "herg": 0.05, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.638945195687133, "aff_pf": -0.9340070088704427, "aff_hs": -0.41458745797475177, "repeats_pf": {"runs": 3, "values": [-0.8532, -1.0406, -0.9083], "mean": -0.934, "spread": 0.1874}, "repeats_hs": {"runs": 3, "values": [-0.6351, -0.2047, -0.404], "mean": -0.4146, "spread": 0.4304}, "at": 1787730505}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726655, "scored_at": 1787730505, "alerts": [], "rank": 3041}, {"candidate_id": "ODC-B13643", "res_at": 1787631867, "skeleton": "RVAXIDUURJJXEB", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.464, "axes": {"activity": 7.34, "binding": 16.92, "selectivity": 2.82, "admet": 5.24, "novelty": 4.65, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.04, "fraction": 0.245}, "binding": {"pIC50": 7.54, "LE": 0.413, "potency_term": 0.846, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.166, "target_engagement": 0.846}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.681, "herg": 0.379, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.040132845976859, "aff_pf": -1.5373178720474243, "aff_hs": -1.204385757446289, "repeats_pf": {"runs": 3, "values": [-1.541, -1.5537, -1.5173], "mean": -1.5373, "spread": 0.0364}, "repeats_hs": {"runs": 3, "values": [-1.2388, -1.183, -1.1914], "mean": -1.2044, "spread": 0.0558}, "at": 1787631867}, "tier": 1, "relegate_reason": [], "submitted_at": 1787624333, "scored_at": 1787631867, "alerts": [], "rank": 3042}, {"candidate_id": "ODC-0A33CD", "res_at": 1787162714, "skeleton": "PZDWRFNXSGNCFJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)c1C", "total": 40.463, "axes": {"activity": 14.91, "binding": 11.05, "selectivity": 6.39, "admet": 2.42, "novelty": 2.93, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 6.77, "LE": 0.281, "potency_term": 0.59, "efficiency_cap": 0.937}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 0.918, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.502, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 5.494471683201868, "aff_pf": -0.7691271503766378, "aff_hs": 0.3147446910540263, "repeats_pf": {"runs": 3, "values": [-0.7405, -0.7457, -0.8212], "mean": -0.7691, "spread": 0.0807}, "repeats_hs": {"runs": 3, "values": [0.2595, 0.3312, 0.3535], "mean": 0.3147, "spread": 0.094}, "at": 1787162714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151494, "scored_at": 1787162714, "alerts": [], "rank": 3043}, {"candidate_id": "ODC-AEF29B", "res_at": 1789898619, "skeleton": "LHRUVUIAVHKLOS", "hf_user": "Bio-JS", "display_name": "0918-S1-div01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········C(F)F", "total": 40.455, "axes": {"activity": 11.13, "binding": 13.26, "selectivity": 5.24, "admet": 4.36, "novelty": 3.73, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.663, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.395, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.355, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.502, "herg": 0.306, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.268039386234296, "aff_pf": -0.989110509554545, "aff_hs": -0.19831342498461405, "repeats_pf": {"runs": 3, "values": [-0.9305, -0.9815, -1.0553], "mean": -0.9891, "spread": 0.1247}, "repeats_hs": {"runs": 3, "values": [-0.2247, -0.1581, -0.2121], "mean": -0.1983, "spread": 0.0665}, "at": 1789898619}, "tier": 1, "alerts": [], "total_sd": 0.632, "total_ci95": [39.241, 41.622], "relegate_reason": [], "submitted_at": 1789687006, "scored_at": 1789898619, "rank": 3044}, {"candidate_id": "ODC-2C69C9", "res_at": 1787564113, "skeleton": "GQKMKVLJUBKOQW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 40.45, "axes": {"activity": 17.14, "binding": 12.07, "selectivity": 0.22, "admet": 4.57, "novelty": 4.4, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.629, "fraction": 0.571}, "binding": {"pIC50": 6.81, "LE": 0.333, "potency_term": 0.604, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.604}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.65, "cyp2c9-veith": 0.855, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 5.6286074043626195, "aff_pf": -0.8106852372487386, "aff_hs": -0.7738004326820374, "repeats_pf": {"runs": 3, "values": [-0.9025, -0.6655, -0.8641], "mean": -0.8107, "spread": 0.237}, "repeats_hs": {"runs": 3, "values": [-0.8446, -0.7401, -0.7367], "mean": -0.7738, "spread": 0.1079}, "at": 1787564113}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556854, "scored_at": 1787564113, "alerts": [], "rank": 3045}, {"candidate_id": "ODC-A51D64", "res_at": 1786986971, "skeleton": "ZZBNRVHVFXCNIU", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.449, "axes": {"activity": 14.14, "binding": 10.72, "selectivity": 7.04, "admet": 4.3, "novelty": 1.82, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.471}, "binding": {"pIC50": 6.61, "LE": 0.431, "potency_term": 0.536, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.54, "cyp3a4-substrate-carbonmangels": 0.917, "ld50-zhu": 0.399, "herg": 0.274, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.448682086950967, "aff_pf": -0.6078538695971171, "aff_hs": 0.705452044804891, "repeats_pf": {"runs": 3, "values": [-0.6504, -0.6049, -0.5683], "mean": -0.6079, "spread": 0.0821}, "repeats_hs": {"runs": 3, "values": [0.664, 0.6961, 0.7563], "mean": 0.7055, "spread": 0.0923}, "at": 1786986971}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980722, "scored_at": 1786986971, "alerts": [], "rank": 3046}, {"candidate_id": "ODC-821597", "res_at": 1789964964, "skeleton": "WLBHLPPUKWSZIN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.435, "axes": {"activity": 13.77, "binding": 14.3, "selectivity": 2.62, "admet": 3.72, "novelty": 3.58, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 7.15, "LE": 0.377, "potency_term": 0.715, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.715}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.673, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "2", "pAct_q10": 5.425972748519506, "aff_pf": -1.1454890966415405, "aff_hs": -0.7792417804400126, "repeats_pf": {"runs": 3, "values": [-1.1392, -1.1971, -1.1001], "mean": -1.1455, "spread": 0.097}, "repeats_hs": {"runs": 3, "values": [-0.8192, -0.7109, -0.8076], "mean": -0.7792, "spread": 0.1084}, "at": 1789964964}, "tier": 1, "alerts": [], "total_sd": 0.479, "total_ci95": [39.551, 41.455], "relegate_reason": [], "submitted_at": 1789918918, "scored_at": 1789964964, "rank": 3047}, {"candidate_id": "ODC-6D4A82", "res_at": 1788994187, "skeleton": "IEVGJRYEBWAWEY", "hf_user": "Bio-JS", "display_name": "0910-S1-05", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 40.414, "axes": {"activity": 12.11, "binding": 11.2, "selectivity": 7.82, "admet": 4.08, "novelty": 2.8, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 6.68, "LE": 0.381, "potency_term": 0.56, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.9, "selectivity_term": 0.698, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.607, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.391, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.326795019001166, "aff_pf": -0.6802206238110861, "aff_hs": 0.7154403924942017, "repeats_pf": {"runs": 3, "values": [-0.6707, -0.7121, -0.6578], "mean": -0.6802, "spread": 0.0543}, "repeats_hs": {"runs": 3, "values": [0.7265, 0.717, 0.7029], "mean": 0.7154, "spread": 0.0236}, "at": 1788994187}, "tier": 1, "alerts": [], "total_sd": 0.308, "total_ci95": [39.912, 41.115], "relegate_reason": [], "submitted_at": 1788993270, "scored_at": 1788994187, "rank": 3048}, {"candidate_id": "ODC-5BF01B", "res_at": 1789555008, "skeleton": "SJCZGKODDVRCOD", "hf_user": "Bio-JS", "display_name": "0916-S1-div26", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 40.406, "axes": {"activity": 18.93, "binding": 9.55, "selectivity": 1.26, "admet": 4.28, "novelty": 3.75, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.736, "fraction": 0.631}, "binding": {"pIC50": 6.43, "LE": 0.339, "potency_term": 0.478, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.26, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.585, "herg": 0.085, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.735780666210203, "aff_pf": -0.43263328075408936, "aff_hs": -0.168407608444492, "repeats_pf": {"runs": 3, "values": [-0.5062, -0.3231, -0.4686], "mean": -0.4326, "spread": 0.1831}, "repeats_hs": {"runs": 3, "values": [-0.0093, -0.1637, -0.3322], "mean": -0.1684, "spread": 0.3229}, "at": 1789555008}, "tier": 1, "alerts": [], "total_sd": 0.613, "total_ci95": [39.344, 41.589], "relegate_reason": [], "submitted_at": 1789526919, "scored_at": 1789555008, "rank": 3049}, {"candidate_id": "ODC-7471E4", "res_at": 1789608129, "skeleton": "SSOUMXSEUJNRAQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 40.405, "axes": {"activity": 18.98, "binding": 10.7, "selectivity": 0.96, "admet": 3.75, "novelty": 4.22, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.739, "fraction": 0.633}, "binding": {"pIC50": 6.64, "LE": 0.293, "potency_term": 0.547, "efficiency_cap": 0.978}, "selectivity": {"fold": 1.5, "selectivity_term": 0.088, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.159, "hia-hou": 0.834, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.516, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "0", "pAct_q10": 5.738904113544827, "aff_pf": -0.6405316789944967, "aff_hs": -0.46475106477737427, "repeats_pf": {"runs": 3, "values": [-0.5655, -0.7225, -0.6336], "mean": -0.6405, "spread": 0.157}, "repeats_hs": {"runs": 3, "values": [-0.5715, -0.4907, -0.332], "mean": -0.4648, "spread": 0.2395}, "at": 1789608129}, "tier": 1, "alerts": [], "total_sd": 0.607, "total_ci95": [39.224, 41.61], "relegate_reason": [], "submitted_at": 1789606795, "scored_at": 1789608129, "rank": 3050}, {"candidate_id": "ODC-93FEAC", "res_at": 1787282277, "skeleton": "PYUZTXRXMSNKNL", "hf_user": "Ku-ku", "display_name": "R4_anil2Me", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.381, "axes": {"activity": 17.77, "binding": 9.45, "selectivity": 3.51, "admet": 3.65, "novelty": 3.31, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 6.42, "LE": 0.382, "potency_term": 0.473, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.274, "herg": 0.415, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.666257735800331, "aff_pf": -0.4178365369637807, "aff_hs": 0.3251512000958125, "repeats_pf": {"runs": 3, "values": [-0.0984, -0.594, -0.5611], "mean": -0.4178, "spread": 0.4956}, "repeats_hs": {"runs": 3, "values": [0.1395, 0.5369, 0.299], "mean": 0.3252, "spread": 0.3974}, "at": 1787282277}, "tier": 1, "relegate_reason": [], "submitted_at": 1787277896, "scored_at": 1787282277, "alerts": [], "rank": 3051}, {"candidate_id": "ODC-6DBF33", "res_at": 1786773419, "skeleton": "IIRDWNODPUGGBO", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC2-P2-IodoMethoxy", "model_name": "OpenCrab-ALEXAI candidate panel v0.2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1I", "total": 40.38, "axes": {"activity": 12.05, "binding": 13.08, "selectivity": 5.6, "admet": 4.31, "novelty": 2.38, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.323, "fraction": 0.402}, "binding": {"pIC50": 6.96, "LE": 0.397, "potency_term": 0.654, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.428, "target_engagement": 0.654}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.173, "ld50-zhu": 0.401, "herg": 0.249, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.322747079084884, "aff_pf": -0.9623909592628479, "aff_hs": -0.10696732997894287, "at": 1786773419}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772845, "scored_at": 1786773419, "alerts": [], "rank": 3052}, {"candidate_id": "ODC-9487E7", "res_at": 1787606265, "skeleton": "WWBDQCBIIABPKC", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)(··········2)cc1", "total": 40.376, "axes": {"activity": 17.96, "binding": 9.87, "selectivity": 3.43, "admet": 2.44, "novelty": 4.1, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.678, "fraction": 0.599}, "binding": {"pIC50": 6.77, "LE": 0.251, "potency_term": 0.591, "efficiency_cap": 0.836}, "selectivity": {"fold": 3.8, "selectivity_term": 0.291, "target_engagement": 0.591}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.072, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.354, "herg": 0.05, "dili": 0.252}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.677765868727661, "aff_pf": -0.7715374628702799, "aff_hs": -0.1903349757194519, "repeats_pf": {"runs": 3, "values": [-0.8029, -0.836, -0.6756], "mean": -0.7715, "spread": 0.1604}, "repeats_hs": {"runs": 3, "values": [-0.2229, -0.1214, -0.2267], "mean": -0.1903, "spread": 0.1053}, "at": 1787606265}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605306, "scored_at": 1787606265, "alerts": [], "rank": 3053}, {"candidate_id": "ODC-D0F378", "res_at": 1789266673, "skeleton": "LVZZKPLTSLMLSY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 40.369, "axes": {"activity": 12.23, "binding": 13.42, "selectivity": 5.25, "admet": 2.62, "novelty": 3.62, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.334, "fraction": 0.408}, "binding": {"pIC50": 7.01, "LE": 0.384, "potency_term": 0.671, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.391, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.531, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.333516128577593, "aff_pf": -1.013177216053009, "aff_hs": -0.230367049574852, "repeats_pf": {"runs": 3, "values": [-1.1022, -1.0024, -0.935], "mean": -1.0132, "spread": 0.1672}, "repeats_hs": {"runs": 3, "values": [-0.3379, -0.2326, -0.1206], "mean": -0.2304, "spread": 0.2173}, "at": 1789266673}, "tier": 1, "alerts": [], "total_sd": 0.87, "total_ci95": [38.983, 42.238], "relegate_reason": [], "submitted_at": 1789263391, "scored_at": 1789266673, "rank": 3054}, {"candidate_id": "ODC-909042", "res_at": 1786844805, "skeleton": "CZGVAYFCZJYORY", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "claude science(Opus5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.365, "axes": {"activity": 9.57, "binding": 12.9, "selectivity": 9.17, "admet": 4.1, "novelty": 1.75, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.174, "fraction": 0.319}, "binding": {"pIC50": 6.93, "LE": 0.365, "potency_term": 0.645, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.5, "selectivity_term": 0.711, "target_engagement": 0.645}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.491, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.174285985107713, "aff_pf": -0.934526801109314, "aff_hs": 0.48829464117685956, "repeats_pf": {"runs": 3, "values": [-0.9346, -0.9738, -0.8951], "mean": -0.9345, "spread": 0.0787}, "repeats_hs": {"runs": 3, "values": [0.4219, 0.515, 0.528], "mean": 0.4883, "spread": 0.1061}, "at": 1786844805}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837681, "scored_at": 1786844805, "alerts": [], "rank": 3055}, {"candidate_id": "ODC-09C076", "res_at": 1787380005, "skeleton": "JTIDFEPKWUQKCO", "hf_user": "1Dmeds", "display_name": "ODC26-G28", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········2)CC1", "total": 40.364, "axes": {"activity": 27.21, "binding": 0.18, "selectivity": 0.0, "admet": 3.26, "novelty": 6.26, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 6.233, "fraction": 0.907}, "binding": {"pIC50": 5.04, "LE": 0.192, "potency_term": 0.014, "efficiency_cap": 0.64}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.014}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.346, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.982, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.232696912261541, "aff_pf": 0.95762966076533, "aff_hs": -0.1458821048339208, "repeats_pf": {"runs": 3, "values": [0.8726, 0.9525, 1.0478], "mean": 0.9576, "spread": 0.1752}, "repeats_hs": {"runs": 3, "values": [-0.1514, -0.0834, -0.2029], "mean": -0.1459, "spread": 0.1195}, "at": 1787380005}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372840, "scored_at": 1787380005, "alerts": [], "rank": 3056}, {"candidate_id": "ODC-0E3C88", "res_at": 1788907191, "skeleton": "NVSHVFYMHFWULJ", "hf_user": "Bio-JS", "display_name": "0909-S1-12", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 40.358, "axes": {"activity": 12.69, "binding": 12.04, "selectivity": 6.11, "admet": 4.18, "novelty": 3.33, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.362, "fraction": 0.423}, "binding": {"pIC50": 6.81, "LE": 0.359, "potency_term": 0.602, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.37, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.609, "herg": 0.271, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.36159347569872, "aff_pf": -0.8063980340957642, "aff_hs": 0.2081399808327357, "repeats_pf": {"runs": 3, "values": [-0.9355, -0.7358, -0.7479], "mean": -0.8064, "spread": 0.1996}, "repeats_hs": {"runs": 3, "values": [0.1828, 0.1984, 0.2432], "mean": 0.2081, "spread": 0.0604}, "at": 1788907191}, "tier": 1, "alerts": [], "total_sd": 1.109, "total_ci95": [38.836, 43.072], "relegate_reason": [], "submitted_at": 1788902816, "scored_at": 1788907191, "rank": 3057}, {"candidate_id": "ODC-A42EEA", "res_at": 1787490793, "skeleton": "RAQFBUVRXIIKEE", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-LMA17]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.329, "axes": {"activity": 11.83, "binding": 13.21, "selectivity": 4.96, "admet": 4.15, "novelty": 3.12, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.394}, "binding": {"pIC50": 6.98, "LE": 0.383, "potency_term": 0.661, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.375, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.615, "herg": 0.107, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.309601879246849, "aff_pf": -0.9821661512056986, "aff_hs": -0.23199094335238138, "repeats_pf": {"runs": 3, "values": [-0.9986, -0.9662, -0.9817], "mean": -0.9822, "spread": 0.0323}, "repeats_hs": {"runs": 3, "values": [-0.2053, -0.2345, -0.2563], "mean": -0.232, "spread": 0.051}, "at": 1787490793}, "tier": 1, "relegate_reason": [], "submitted_at": 1787489658, "scored_at": 1787490793, "alerts": [], "rank": 3058}, {"candidate_id": "ODC-2CE37F", "res_at": 1787266658, "skeleton": "WPDJFOUENZIEMN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.323, "axes": {"activity": 17.88, "binding": 8.54, "selectivity": 4.73, "admet": 2.55, "novelty": 4.0, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.673, "fraction": 0.596}, "binding": {"pIC50": 6.54, "LE": 0.249, "potency_term": 0.515, "efficiency_cap": 0.83}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.672812114693602, "aff_pf": -0.5436953802903494, "aff_hs": 0.3757305641969045, "repeats_pf": {"runs": 3, "values": [-0.6042, -0.4515, -0.5754], "mean": -0.5437, "spread": 0.1527}, "repeats_hs": {"runs": 3, "values": [0.0046, 0.8966, 0.226], "mean": 0.3757, "spread": 0.8919}, "at": 1787266658}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264826, "scored_at": 1787266658, "alerts": [], "rank": 3059}, {"candidate_id": "ODC-E311FE", "res_at": 1787649542, "skeleton": "WLBBMBOWZPYMQG", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 40.321, "axes": {"activity": 15.76, "binding": 12.43, "selectivity": 0.79, "admet": 5.09, "novelty": 3.65, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 6.86, "LE": 0.376, "potency_term": 0.622, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.622}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.668, "cyp3a4-substrate-carbonmangels": 0.575, "ld50-zhu": 0.657, "herg": 0.179, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.545434100230571, "aff_pf": -0.8645260532697042, "aff_hs": -0.7370692690213522, "repeats_pf": {"runs": 3, "values": [-0.8484, -0.8867, -0.8584], "mean": -0.8645, "spread": 0.0383}, "repeats_hs": {"runs": 3, "values": [-0.7245, -0.7334, -0.7533], "mean": -0.7371, "spread": 0.0287}, "at": 1787649542}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643662, "scored_at": 1787649542, "alerts": [], "rank": 3060}, {"candidate_id": "ODC-06CD4D", "res_at": 1787024214, "skeleton": "JXPFCMIJDOALIP", "hf_user": "takutoyo", "display_name": "PfD5-A5", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 40.316, "axes": {"activity": 18.42, "binding": 10.86, "selectivity": 1.46, "admet": 2.72, "novelty": 4.41, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.705, "fraction": 0.614}, "binding": {"pIC50": 6.63, "LE": 0.324, "potency_term": 0.543, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.543}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.583, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.239, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.395, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.705086741521406, "aff_pf": -0.6296698451042175, "aff_hs": -0.36148038506507874, "repeats_pf": {"runs": 3, "values": [-0.7628, -0.5607, -0.5655], "mean": -0.6297, "spread": 0.2022}, "repeats_hs": {"runs": 3, "values": [-0.3761, -0.4468, -0.2615], "mean": -0.3615, "spread": 0.1852}, "at": 1787024214}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023054, "scored_at": 1787024214, "alerts": [], "rank": 3061}, {"candidate_id": "ODC-B5CBDF", "res_at": 1788429772, "skeleton": "UNPCMLJYQCMDFD", "hf_user": "Bio-JS", "display_name": "0903-S1-10 oCC_mF/cPr/spiroSO2", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 40.291, "axes": {"activity": 17.24, "binding": 11.48, "selectivity": 3.35, "admet": 2.36, "novelty": 4.21, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.634, "fraction": 0.575}, "binding": {"pIC50": 7.08, "LE": 0.249, "potency_term": 0.692, "efficiency_cap": 0.829}, "selectivity": {"fold": 3.0, "selectivity_term": 0.242, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.506, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.692, "herg": 0.05, "dili": 0.142}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "0", "pAct_q10": 5.63414166450099, "aff_pf": -1.0771188537279766, "aff_hs": -0.5936124324798584, "repeats_pf": {"runs": 3, "values": [-1.128, -1.1112, -0.9921], "mean": -1.0771, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [-0.4415, -0.6833, -0.656], "mean": -0.5936, "spread": 0.2417}, "at": 1788429772}, "tier": 1, "alerts": [], "total_sd": 0.739, "total_ci95": [39.043, 41.737], "relegate_reason": [], "submitted_at": 1788362747, "scored_at": 1788429772, "rank": 3062}, {"candidate_id": "ODC-644299", "res_at": 1789910760, "skeleton": "YKJCTJQEENUJGP", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.27, "axes": {"activity": 14.19, "binding": 11.43, "selectivity": 5.65, "admet": 4.49, "novelty": 1.87, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.451, "fraction": 0.473}, "binding": {"pIC50": 6.71, "LE": 0.4, "potency_term": 0.572, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.784, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.262, "herg": 0.701, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 5.451152377013458, "aff_pf": -0.7145762244860331, "aff_hs": 0.2740957736968994, "repeats_pf": {"runs": 3, "values": [-0.659, -0.674, -0.8107], "mean": -0.7146, "spread": 0.1517}, "repeats_hs": {"runs": 3, "values": [0.2929, 0.1389, 0.3905], "mean": 0.2741, "spread": 0.2516}, "at": 1789910760}, "tier": 1, "alerts": [], "total_sd": 0.897, "total_ci95": [38.754, 42.021], "relegate_reason": [], "submitted_at": 1789829719, "scored_at": 1789910760, "rank": 3063}, {"candidate_id": "ODC-EECD09", "res_at": 1788608035, "skeleton": "MVEKABJHNBYELC", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.262, "axes": {"activity": 4.67, "binding": 14.66, "selectivity": 9.83, "admet": 4.17, "novelty": 3.91, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 4.88, "fraction": 0.156}, "binding": {"pIC50": 7.2, "LE": 0.395, "potency_term": 0.733, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.9, "selectivity_term": 0.67, "target_engagement": 0.733}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.543, "herg": 0.337, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 4.8804794710906805, "aff_pf": -1.1992379029591878, "aff_hs": 0.14141613493363062, "repeats_pf": {"runs": 3, "values": [-1.2335, -1.2158, -1.1484], "mean": -1.1992, "spread": 0.0851}, "repeats_hs": {"runs": 3, "values": [0.188, 0.1223, 0.114], "mean": 0.1414, "spread": 0.074}, "at": 1788608035}, "tier": 1, "alerts": [], "total_sd": 0.486, "total_ci95": [39.252, 41.114], "relegate_reason": [], "submitted_at": 1788583552, "scored_at": 1788608035, "rank": 3064}, {"candidate_id": "ODC-8B3BF2", "res_at": 1789897584, "skeleton": "PGWGTNBGNDLAED", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.258, "axes": {"activity": 16.75, "binding": 13.04, "selectivity": 0.66, "admet": 3.69, "novelty": 3.37, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.605, "fraction": 0.558}, "binding": {"pIC50": 6.96, "LE": 0.329, "potency_term": 0.652, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.652}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.854, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.606, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.605034366129084, "aff_pf": -0.9558574755986532, "aff_hs": -0.854753851890564, "repeats_pf": {"runs": 3, "values": [-0.904, -0.9582, -1.0053], "mean": -0.9559, "spread": 0.1013}, "repeats_hs": {"runs": 3, "values": [-0.895, -0.6823, -0.987], "mean": -0.8548, "spread": 0.3046}, "at": 1789897584}, "tier": 1, "alerts": [], "total_sd": 0.633, "total_ci95": [39.204, 41.56], "relegate_reason": [], "submitted_at": 1789758132, "scored_at": 1789897584, "rank": 3065}, {"candidate_id": "ODC-4F7FF7", "res_at": 1787501432, "skeleton": "FDXYEEXSVFDEOZ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.256, "axes": {"activity": 10.95, "binding": 13.3, "selectivity": 7.55, "admet": 4.78, "novelty": 1.2, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.257, "fraction": 0.365}, "binding": {"pIC50": 6.99, "LE": 0.33, "potency_term": 0.665, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.665}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.436, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.763, "herg": 0.05, "dili": 0.647}}, "novelty": {"max_tanimoto": 0.82, "novelty": 0.18}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.257259736422896, "aff_pf": -0.9945747454961141, "aff_hs": 0.14157001177469888, "repeats_pf": {"runs": 3, "values": [-0.9563, -0.945, -1.0824], "mean": -0.9946, "spread": 0.1374}, "repeats_hs": {"runs": 3, "values": [-0.1343, 0.3033, 0.2557], "mean": 0.1416, "spread": 0.4376}, "at": 1787501432}, "tier": 1, "relegate_reason": [], "submitted_at": 1787494170, "scored_at": 1787501432, "alerts": [], "rank": 3066}, {"candidate_id": "ODC-4EDC58", "res_at": 1789011231, "skeleton": "VKYWZLUGQMYKND", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 40.235, "axes": {"activity": 17.84, "binding": 9.57, "selectivity": 2.59, "admet": 3.64, "novelty": 4.34, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.67, "fraction": 0.595}, "binding": {"pIC50": 6.44, "LE": 0.339, "potency_term": 0.479, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.271, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.670110090458787, "aff_pf": -0.43571801980336505, "aff_hs": 0.10565494497617085, "repeats_pf": {"runs": 3, "values": [-0.3703, -0.5148, -0.4221], "mean": -0.4357, "spread": 0.1445}, "repeats_hs": {"runs": 3, "values": [0.0917, 0.0222, 0.203], "mean": 0.1057, "spread": 0.1808}, "at": 1789011231}, "tier": 1, "alerts": [], "total_sd": 0.519, "total_ci95": [39.326, 41.492], "relegate_reason": [], "submitted_at": 1789006853, "scored_at": 1789011231, "rank": 3067}, {"candidate_id": "ODC-092161", "res_at": 1786892636, "skeleton": "XIKSNOVEDQVYJE", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 40.231, "axes": {"activity": 12.74, "binding": 11.23, "selectivity": 8.61, "admet": 3.59, "novelty": 1.26, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.425}, "binding": {"pIC50": 6.68, "LE": 0.398, "potency_term": 0.561, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.2, "selectivity_term": 0.767, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.664, "cyp3a4-substrate-carbonmangels": 0.084, "ld50-zhu": 0.357, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.776, "novelty": 0.224}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 5.364420090953038, "aff_pf": -0.6837847034136454, "aff_hs": 0.849723219871521, "repeats_pf": {"runs": 3, "values": [-0.7323, -0.7183, -0.6008], "mean": -0.6838, "spread": 0.1315}, "repeats_hs": {"runs": 3, "values": [0.8219, 0.8897, 0.8375], "mean": 0.8497, "spread": 0.0678}, "at": 1786892636}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878944, "scored_at": 1786892636, "alerts": [], "rank": 3068}, {"candidate_id": "ODC-2E2F45", "res_at": 1787134341, "skeleton": "HECHEYJZFYYYIH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 40.218, "axes": {"activity": 13.72, "binding": 13.41, "selectivity": 5.48, "admet": 4.26, "novelty": 1.34, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.423, "fraction": 0.457}, "binding": {"pIC50": 7.01, "LE": 0.31, "potency_term": 0.67, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.409, "target_engagement": 0.67}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 0.944, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.8, "novelty": 0.2}, "synthesis": {"sa_score": 3.9}}, "run": {"gpu": "3", "pAct_q10": 5.42322973987569, "aff_pf": -1.0112333297729492, "aff_hs": -0.19378737608591715, "repeats_pf": {"runs": 3, "values": [-1.0748, -1.1007, -0.8581], "mean": -1.0112, "spread": 0.2426}, "repeats_hs": {"runs": 3, "values": [-0.1677, -0.2434, -0.1703], "mean": -0.1938, "spread": 0.0757}, "at": 1787134341}, "tier": 1, "relegate_reason": [], "submitted_at": 1787128516, "scored_at": 1787134341, "alerts": [], "rank": 3069}, {"candidate_id": "ODC-C716C1", "res_at": 1787917686, "skeleton": "FNQOGOYHBVYXHO", "hf_user": "Bio-JS", "display_name": "K9 코어2-Cl x 싸이에탄 (섀시 짝 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)CSC1", "total": 40.211, "axes": {"activity": 18.86, "binding": 8.84, "selectivity": 3.35, "admet": 2.43, "novelty": 4.19, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.732, "fraction": 0.629}, "binding": {"pIC50": 6.59, "LE": 0.251, "potency_term": 0.529, "efficiency_cap": 0.835}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.377, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.419, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.731548179750532, "aff_pf": -0.5862544576327006, "aff_hs": 0.048136005798975624, "repeats_pf": {"runs": 3, "values": [-0.5213, -0.5998, -0.6377], "mean": -0.5863, "spread": 0.1164}, "repeats_hs": {"runs": 3, "values": [0.2532, 0.1873, -0.2961], "mean": 0.0481, "spread": 0.5492}, "at": 1787917686}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898938, "scored_at": 1787917686, "alerts": [], "rank": 3070}, {"candidate_id": "ODC-6F5209", "res_at": 1788064421, "skeleton": "IKRSTZWKMNMFLZ", "hf_user": "Bio-JS", "display_name": "14 A6 오쏘 2-Me", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)n2n1", "total": 40.206, "axes": {"activity": 19.58, "binding": 8.85, "selectivity": 1.63, "admet": 2.97, "novelty": 4.4, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.775, "fraction": 0.653}, "binding": {"pIC50": 6.59, "LE": 0.251, "potency_term": 0.529, "efficiency_cap": 0.836}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.405, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.125}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.774573906936077, "aff_pf": -0.588498612244924, "aff_hs": -0.2815154542525609, "repeats_pf": {"runs": 3, "values": [-0.6083, -0.6108, -0.5464], "mean": -0.5885, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [-0.3155, -0.4035, -0.1255], "mean": -0.2815, "spread": 0.2781}, "at": 1788064421}, "tier": 1, "alerts": [], "total_sd": 0.403, "total_ci95": [39.44, 41.021], "relegate_reason": [], "submitted_at": 1788017404, "scored_at": 1788064421, "rank": 3071}, {"candidate_id": "ODC-6AFDDE", "res_at": 1788539766, "skeleton": "ZDQKUWLVFBMOQG", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 40.205, "axes": {"activity": 9.17, "binding": 11.7, "selectivity": 10.36, "admet": 4.62, "novelty": 2.03, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.15, "fraction": 0.306}, "binding": {"pIC50": 6.76, "LE": 0.421, "potency_term": 0.585, "efficiency_cap": 1.0}, "selectivity": {"fold": 58.9, "selectivity_term": 0.885, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.656, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.695, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.344, "herg": 0.933, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.654, "novelty": 0.346}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.15043138070295, "aff_pf": -0.7556466857592264, "aff_hs": 1.0141822894414265, "repeats_pf": {"runs": 3, "values": [-0.8399, -0.7636, -0.6634], "mean": -0.7556, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [1.0233, 0.9772, 1.0421], "mean": 1.0142, "spread": 0.0649}, "at": 1788539766}, "tier": 1, "alerts": [], "total_sd": 0.94, "total_ci95": [38.148, 42.078], "relegate_reason": [], "submitted_at": 1788495834, "scored_at": 1788539766, "rank": 3072}, {"candidate_id": "ODC-86BFAC", "res_at": 1789551271, "skeleton": "ZBOHDMKDEXHYFZ", "hf_user": "Bio-JS", "display_name": "0916-S1-div16", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 40.181, "axes": {"activity": 16.73, "binding": 9.38, "selectivity": 4.56, "admet": 3.51, "novelty": 3.67, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 6.41, "LE": 0.325, "potency_term": 0.469, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.469}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.726, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.599, "ld50-zhu": 0.483, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.603912235147234, "aff_pf": -0.40732288360595703, "aff_hs": 0.5639795064926147, "repeats_pf": {"runs": 3, "values": [-0.4282, -0.4598, -0.334], "mean": -0.4073, "spread": 0.1258}, "repeats_hs": {"runs": 3, "values": [0.6544, 0.5242, 0.5133], "mean": 0.564, "spread": 0.141}, "at": 1789551271}, "tier": 1, "alerts": [], "total_sd": 0.507, "total_ci95": [39.129, 41.026], "relegate_reason": [], "submitted_at": 1789526859, "scored_at": 1789551271, "rank": 3073}, {"candidate_id": "ODC-BC6B50", "res_at": 1787041318, "skeleton": "KAZIWAQVGAJHIH", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 40.177, "axes": {"activity": 11.7, "binding": 12.99, "selectivity": 5.74, "admet": 3.92, "novelty": 3.19, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 6.95, "LE": 0.366, "potency_term": 0.65, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.442, "target_engagement": 0.65}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.636, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.434, "ld50-zhu": 0.631, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.302098443394149, "aff_pf": -0.9489762584368387, "aff_hs": -0.0654256244500478, "repeats_pf": {"runs": 3, "values": [-0.9485, -0.7932, -1.1053], "mean": -0.949, "spread": 0.3121}, "repeats_hs": {"runs": 3, "values": [0.2104, -0.1803, -0.2264], "mean": -0.0654, "spread": 0.4368}, "at": 1787041318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038288, "scored_at": 1787041318, "alerts": [], "rank": 3074}, {"candidate_id": "ODC-6AF278", "res_at": 1787730977, "skeleton": "WGKIIFXNGYXOTA", "hf_user": "Bio-JS", "display_name": "B 코어 메틸 -> H", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········2)CC1", "total": 40.16, "axes": {"activity": 17.43, "binding": 9.1, "selectivity": 5.68, "admet": 2.39, "novelty": 3.2, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.646, "fraction": 0.581}, "binding": {"pIC50": 6.62, "LE": 0.252, "potency_term": 0.542, "efficiency_cap": 0.84}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.273, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.724, "herg": 0.05, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.645905058729876, "aff_pf": -0.6249426007270813, "aff_hs": 0.4233184854189555, "repeats_pf": {"runs": 3, "values": [-0.7317, -0.6458, -0.4974], "mean": -0.6249, "spread": 0.2344}, "repeats_hs": {"runs": 3, "values": [0.5928, 0.3017, 0.3754], "mean": 0.4233, "spread": 0.2911}, "at": 1787730977}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726670, "scored_at": 1787730977, "alerts": [], "rank": 3075}, {"candidate_id": "ODC-14B45E", "res_at": 1789368499, "skeleton": "WXNCTRHEQMJTIP", "hf_user": "Bio-JS", "display_name": "0914-S1-div30", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 40.146, "axes": {"activity": 11.16, "binding": 10.39, "selectivity": 9.81, "admet": 3.86, "novelty": 3.18, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 6.56, "LE": 0.391, "potency_term": 0.52, "efficiency_cap": 1.0}, "selectivity": {"fold": 77.4, "selectivity_term": 0.944, "target_engagement": 0.52}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.462, "herg": 0.887, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "0", "pAct_q10": 5.269559189138022, "aff_pf": -0.5587189197540283, "aff_hs": 1.3300188382466633, "repeats_pf": {"runs": 3, "values": [-0.5634, -0.5691, -0.5436], "mean": -0.5587, "spread": 0.0254}, "repeats_hs": {"runs": 3, "values": [1.3471, 1.1797, 1.4633], "mean": 1.33, "spread": 0.2836}, "at": 1789368499}, "tier": 1, "alerts": [], "total_sd": 0.364, "total_ci95": [39.455, 40.796], "relegate_reason": [], "submitted_at": 1789346201, "scored_at": 1789368499, "rank": 3076}, {"candidate_id": "ODC-4D397B", "res_at": 1789358036, "skeleton": "SHSYCQUUVKVMQA", "hf_user": "Bio-JS", "display_name": "0914-S1-div16", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 40.129, "axes": {"activity": 13.1, "binding": 10.43, "selectivity": 8.04, "admet": 3.42, "novelty": 2.82, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.437}, "binding": {"pIC50": 6.56, "LE": 0.391, "potency_term": 0.521, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.8, "selectivity_term": 0.771, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.329, "ld50-zhu": 0.475, "herg": 0.167, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.385889350000381, "aff_pf": -0.5642238855361938, "aff_hs": 0.9773549636205038, "repeats_pf": {"runs": 3, "values": [-0.589, -0.5299, -0.5738], "mean": -0.5642, "spread": 0.0591}, "repeats_hs": {"runs": 3, "values": [0.9682, 0.9559, 1.008], "mean": 0.9774, "spread": 0.0521}, "at": 1789358036}, "tier": 1, "alerts": [], "total_sd": 0.337, "total_ci95": [39.361, 40.667], "relegate_reason": [], "submitted_at": 1789346136, "scored_at": 1789358036, "rank": 3077}, {"candidate_id": "ODC-212BE7", "res_at": 1787306512, "skeleton": "UPALMLOIHCNBPS", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)nc12", "total": 40.109, "axes": {"activity": 17.01, "binding": 8.76, "selectivity": 5.59, "admet": 2.24, "novelty": 4.11, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.621, "fraction": 0.567}, "binding": {"pIC50": 6.54, "LE": 0.256, "potency_term": 0.513, "efficiency_cap": 0.853}, "selectivity": {"fold": 12.3, "selectivity_term": 0.544, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 0.525, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.620592404712661, "aff_pf": -0.5397012233734131, "aff_hs": 0.5485241909821829, "repeats_pf": {"runs": 3, "values": [-0.4676, -0.5251, -0.6264], "mean": -0.5397, "spread": 0.1588}, "repeats_hs": {"runs": 3, "values": [0.4631, 0.6751, 0.5074], "mean": 0.5485, "spread": 0.212}, "at": 1787306512}, "tier": 1, "relegate_reason": [], "submitted_at": 1787306040, "scored_at": 1787306512, "alerts": [], "rank": 3078}, {"candidate_id": "ODC-AA5927", "res_at": 1788819363, "skeleton": "XHIQALJRCQVNJB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SNIPER01]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 40.107, "axes": {"activity": 19.59, "binding": 9.88, "selectivity": 0.99, "admet": 2.56, "novelty": 4.25, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.776, "fraction": 0.653}, "binding": {"pIC50": 6.73, "LE": 0.256, "potency_term": 0.578, "efficiency_cap": 0.854}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.857, "ld50-zhu": 0.619, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.77553842898795, "aff_pf": -0.7340733309586843, "aff_hs": -0.5624736547470093, "repeats_pf": {"runs": 3, "values": [-0.38, -0.8354, -0.9868], "mean": -0.7341, "spread": 0.6068}, "repeats_hs": {"runs": 3, "values": [-0.6369, -0.6854, -0.3652], "mean": -0.5625, "spread": 0.3201}, "at": 1788819363}, "tier": 1, "alerts": [], "total_sd": 1.972, "total_ci95": [36.685, 43.896], "relegate_reason": [], "submitted_at": 1788786087, "scored_at": 1788819363, "rank": 3079}, {"candidate_id": "ODC-39223B", "res_at": 1788615801, "skeleton": "WSGLGGGJHGWMCI", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 40.104, "axes": {"activity": 11.72, "binding": 13.85, "selectivity": 5.44, "admet": 3.47, "novelty": 2.9, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.303, "fraction": 0.391}, "binding": {"pIC50": 7.08, "LE": 0.323, "potency_term": 0.692, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.393, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.911, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.574, "herg": 0.056, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.303103690506155, "aff_pf": -1.0774879058202107, "aff_hs": -0.2918362220128377, "repeats_pf": {"runs": 3, "values": [-1.1359, -1.0903, -1.0063], "mean": -1.0775, "spread": 0.1296}, "repeats_hs": {"runs": 3, "values": [-0.302, -0.3475, -0.226], "mean": -0.2918, "spread": 0.1214}, "at": 1788615801}, "tier": 1, "alerts": [], "total_sd": 0.682, "total_ci95": [38.655, 41.498], "relegate_reason": [], "submitted_at": 1788583788, "scored_at": 1788615801, "rank": 3080}, {"candidate_id": "ODC-1B347A", "res_at": 1787186172, "skeleton": "BMEXABKOVUAKKP", "hf_user": "Ku-ku", "display_name": "Z1_NMe_linker", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 40.099, "axes": {"activity": 23.51, "binding": 3.97, "selectivity": 0.0, "admet": 3.92, "novelty": 5.81, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 6.011, "fraction": 0.784}, "binding": {"pIC50": 5.65, "LE": 0.276, "potency_term": 0.215, "efficiency_cap": 0.921}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.215}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.946, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.536, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 6.010837049409014, "aff_pf": 0.3537527819474538, "aff_hs": 0.3420414701104164, "repeats_pf": {"runs": 3, "values": [0.4844, 0.1294, 0.4475], "mean": 0.3538, "spread": 0.3549}, "repeats_hs": {"runs": 3, "values": [0.1139, 0.7157, 0.1964], "mean": 0.342, "spread": 0.6018}, "at": 1787186172}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184081, "scored_at": 1787186172, "alerts": [], "rank": 3081}, {"candidate_id": "ODC-024BCA", "res_at": 1787315989, "skeleton": "ZFIWCZXRSILXFJ", "hf_user": "takutoyo", "display_name": "PfD12-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 40.096, "axes": {"activity": 20.95, "binding": 7.2, "selectivity": 2.13, "admet": 3.06, "novelty": 4.21, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.857, "fraction": 0.698}, "binding": {"pIC50": 6.12, "LE": 0.289, "potency_term": 0.373, "efficiency_cap": 0.964}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.373}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.489, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.8571529031335965, "aff_pf": -0.12020031611124675, "aff_hs": 0.45150457819302875, "repeats_pf": {"runs": 3, "values": [0.0605, -0.0409, -0.3802], "mean": -0.1202, "spread": 0.4407}, "repeats_hs": {"runs": 3, "values": [0.1336, 0.7338, 0.4872], "mean": 0.4515, "spread": 0.6002}, "at": 1787315989}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315628, "scored_at": 1787315989, "alerts": [], "rank": 3082}, {"candidate_id": "ODC-4BB034", "res_at": 1786843444, "skeleton": "AZSIKHDSFDEQOZ", "hf_user": "yelixir", "display_name": "yelixir", "model_name": "glm-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 40.095, "axes": {"activity": 18.7, "binding": 9.64, "selectivity": 1.53, "admet": 4.09, "novelty": 3.48, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.722, "fraction": 0.623}, "binding": {"pIC50": 6.45, "LE": 0.315, "potency_term": 0.482, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.159, "target_engagement": 0.482}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.599, "ld50-zhu": 0.527, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "1", "pAct_q10": 5.722050593210469, "aff_pf": -0.44578637679417926, "aff_hs": -0.1278622547785441, "repeats_pf": {"runs": 3, "values": [-0.3227, -0.5392, -0.4755], "mean": -0.4458, "spread": 0.2164}, "repeats_hs": {"runs": 3, "values": [-0.1266, -0.1513, -0.1056], "mean": -0.1279, "spread": 0.0457}, "at": 1786843444}, "tier": 1, "relegate_reason": [], "submitted_at": 1786813137, "scored_at": 1786843444, "alerts": [], "rank": 3083}, {"candidate_id": "ODC-922B17", "res_at": 1788427260, "skeleton": "XIJDVECJLDSMQD", "hf_user": "Bio-JS", "display_name": "0903-S1-06 mF/cPr/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.092, "axes": {"activity": 19.2, "binding": 8.79, "selectivity": 2.26, "admet": 2.64, "novelty": 4.29, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.752, "fraction": 0.64}, "binding": {"pIC50": 6.51, "LE": 0.262, "potency_term": 0.503, "efficiency_cap": 0.874}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.503}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.472, "hia-hou": 1.0, "bioavailability-ma": 0.803, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.438}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.752085949975082, "aff_pf": -0.5083655516306559, "aff_hs": -0.05836703876654307, "repeats_pf": {"runs": 3, "values": [-0.6119, -0.4867, -0.4264], "mean": -0.5084, "spread": 0.1855}, "repeats_hs": {"runs": 3, "values": [-0.0206, -0.122, -0.0325], "mean": -0.0584, "spread": 0.1015}, "at": 1788427260}, "tier": 1, "alerts": [], "total_sd": 0.596, "total_ci95": [39.139, 41.557], "relegate_reason": [], "submitted_at": 1788362704, "scored_at": 1788427260, "rank": 3084}, {"candidate_id": "ODC-93A0B1", "res_at": 1787554516, "skeleton": "IVCYYUDKBVDZSB", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 40.086, "axes": {"activity": 16.13, "binding": 10.91, "selectivity": 2.22, "admet": 4.96, "novelty": 4.04, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 6.64, "LE": 0.325, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.999, "cyp2c9-veith": 0.957, "cyp3a4-substrate-carbonmangels": 0.16, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.567980716258429, "aff_pf": -0.6361974875132242, "aff_hs": -0.22914066910743713, "repeats_pf": {"runs": 3, "values": [-0.6396, -0.6267, -0.6422], "mean": -0.6362, "spread": 0.0155}, "repeats_hs": {"runs": 3, "values": [-0.1739, -0.2501, -0.2635], "mean": -0.2291, "spread": 0.0896}, "at": 1787554516}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537081, "scored_at": 1787554516, "alerts": [], "rank": 3085}, {"candidate_id": "ODC-58098A", "res_at": 1789517966, "skeleton": "ZHTPMBOILGZSOR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 40.079, "axes": {"activity": 12.55, "binding": 13.27, "selectivity": 4.23, "admet": 4.28, "novelty": 3.91, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.99, "LE": 0.309, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.319, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.5, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.738, "ld50-zhu": 0.827, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "0", "pAct_q10": 5.352722221972899, "aff_pf": -0.9911399284998575, "aff_hs": -0.3531579573949178, "repeats_pf": {"runs": 3, "values": [-1.0753, -0.8055, -1.0926], "mean": -0.9911, "spread": 0.2872}, "repeats_hs": {"runs": 3, "values": [-0.4048, -0.2675, -0.3871], "mean": -0.3532, "spread": 0.1373}, "at": 1789517966}, "tier": 1, "alerts": [], "total_sd": 1.417, "total_ci95": [37.899, 42.386], "relegate_reason": [], "submitted_at": 1789517671, "scored_at": 1789517966, "rank": 3086}, {"candidate_id": "ODC-161B9C", "res_at": 1789121918, "skeleton": "PZZLNQRVGUNQKH", "hf_user": "Bio-JS", "display_name": "0911-S1-x_CCS_c", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 40.073, "axes": {"activity": 13.93, "binding": 11.69, "selectivity": 4.62, "admet": 3.83, "novelty": 3.58, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.464}, "binding": {"pIC50": 6.75, "LE": 0.37, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.396, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.962, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.49, "herg": 0.235, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.435779452866186, "aff_pf": -0.7529493570327759, "aff_hs": 0.038078756382068, "repeats_pf": {"runs": 3, "values": [-0.7725, -0.7226, -0.7638], "mean": -0.7529, "spread": 0.0499}, "repeats_hs": {"runs": 3, "values": [0.0001, -0.0367, 0.1508], "mean": 0.0381, "spread": 0.1875}, "at": 1789121918}, "tier": 1, "alerts": [], "total_sd": 0.366, "total_ci95": [39.426, 40.793], "relegate_reason": [], "submitted_at": 1789117078, "scored_at": 1789121918, "rank": 3087}, {"candidate_id": "ODC-FB1CB5", "res_at": 1788611237, "skeleton": "DDDXKVSWYXIOGV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.072, "axes": {"activity": 9.25, "binding": 12.94, "selectivity": 6.84, "admet": 4.29, "novelty": 3.82, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.155, "fraction": 0.308}, "binding": {"pIC50": 6.94, "LE": 0.396, "potency_term": 0.647, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.647}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.337, "ld50-zhu": 0.409, "herg": 0.948, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.155257618487245, "aff_pf": -0.9410460193951925, "aff_hs": 0.11540168275435765, "repeats_pf": {"runs": 3, "values": [-0.896, -0.9583, -0.9689], "mean": -0.941, "spread": 0.0729}, "repeats_hs": {"runs": 3, "values": [0.1976, 0.0504, 0.0982], "mean": 0.1154, "spread": 0.1471}, "at": 1788611237}, "tier": 1, "alerts": [], "total_sd": 0.443, "total_ci95": [39.193, 40.914], "relegate_reason": [], "submitted_at": 1788583621, "scored_at": 1788611237, "rank": 3088}, {"candidate_id": "ODC-A27B56", "res_at": 1786951439, "skeleton": "DQWKBAQKSBULHC", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-11", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 40.067, "axes": {"activity": 10.38, "binding": 12.92, "selectivity": 5.53, "admet": 4.47, "novelty": 3.75, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.223, "fraction": 0.346}, "binding": {"pIC50": 6.94, "LE": 0.38, "potency_term": 0.646, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.428, "target_engagement": 0.646}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.764, "ld50-zhu": 0.506, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "2", "pAct_q10": 5.222726788355173, "aff_pf": -0.9386165539423624, "aff_hs": -0.0825889805952708, "repeats_pf": {"runs": 3, "values": [-0.9756, -0.9231, -0.9171], "mean": -0.9386, "spread": 0.0585}, "repeats_hs": {"runs": 3, "values": [-0.2954, 0.0282, 0.0194], "mean": -0.0826, "spread": 0.3236}, "at": 1786951439}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949077, "scored_at": 1786951439, "alerts": [], "rank": 3089}, {"candidate_id": "ODC-72DC2C", "res_at": 1786968486, "skeleton": "NBMRGEQEONYFRK", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 40.024, "axes": {"activity": 10.27, "binding": 13.04, "selectivity": 5.78, "admet": 4.42, "novelty": 3.85, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.216, "fraction": 0.342}, "binding": {"pIC50": 6.96, "LE": 0.433, "potency_term": 0.652, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.443, "target_engagement": 0.652}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.448, "herg": 0.17, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.216141255439427, "aff_pf": -0.9558930595715841, "aff_hs": -0.06979259848594666, "repeats_pf": {"runs": 3, "values": [-0.9439, -0.9818, -0.9419], "mean": -0.9559, "spread": 0.0399}, "repeats_hs": {"runs": 3, "values": [-0.0881, -0.0404, -0.0808], "mean": -0.0698, "spread": 0.0477}, "at": 1786968486}, "tier": 1, "relegate_reason": [], "submitted_at": 1786967825, "scored_at": 1786968486, "alerts": [], "rank": 3090}, {"candidate_id": "ODC-CD58A1", "res_at": 1789566150, "skeleton": "HBNBAKHAOXLEQG", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 40.023, "axes": {"activity": 12.95, "binding": 12.16, "selectivity": 5.34, "admet": 3.99, "novelty": 3.92, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 6.86, "LE": 0.294, "potency_term": 0.621, "efficiency_cap": 0.979}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.321, "cyp2c9-veith": 0.22, "cyp3a4-substrate-carbonmangels": 0.935, "ld50-zhu": 0.902, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 4.09}}, "run": {"gpu": "0", "pAct_q10": 5.377155562519968, "aff_pf": -0.8627416491508484, "aff_hs": -0.0029479066530863443, "repeats_pf": {"runs": 3, "values": [-0.8434, -0.9467, -0.7982], "mean": -0.8627, "spread": 0.1485}, "repeats_hs": {"runs": 3, "values": [0.0095, 0.0259, -0.0442], "mean": -0.0029, "spread": 0.0701}, "at": 1789566150}, "tier": 1, "alerts": [], "total_sd": 0.867, "total_ci95": [38.469, 41.95], "relegate_reason": [], "submitted_at": 1789563257, "scored_at": 1789566150, "rank": 3091}, {"candidate_id": "ODC-CF3461", "res_at": 1787616290, "skeleton": "IMPDNRCPLXVUFN", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 2-옥사스파이로[3.3]헵탄-6-일 (확장 O)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 40.019, "axes": {"activity": 17.21, "binding": 7.85, "selectivity": 6.03, "admet": 3.09, "novelty": 3.94, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.633, "fraction": 0.574}, "binding": {"pIC50": 6.54, "LE": 0.23, "potency_term": 0.513, "efficiency_cap": 0.766}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.397, "hia-hou": 1.0, "bioavailability-ma": 0.993, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.634, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.564, "herg": 0.05, "dili": 0.371}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.6328620677223356, "aff_pf": -0.5376777847607931, "aff_hs": 0.6385168631871542, "repeats_pf": {"runs": 3, "values": [-0.4543, -0.5703, -0.5884], "mean": -0.5377, "spread": 0.1341}, "repeats_hs": {"runs": 3, "values": [0.6419, 0.6745, 0.5991], "mean": 0.6385, "spread": 0.0754}, "at": 1787616290}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614439, "scored_at": 1787616290, "alerts": [], "rank": 3092}, {"candidate_id": "ODC-A296F5", "res_at": 1787556514, "skeleton": "FHEAVOYCIKFJMC", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DOM03]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········nc2n1", "total": 40.016, "axes": {"activity": 15.45, "binding": 12.15, "selectivity": 3.53, "admet": 3.06, "novelty": 3.53, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.527, "fraction": 0.515}, "binding": {"pIC50": 6.82, "LE": 0.322, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.72, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.527221482881041, "aff_pf": -0.8226216038068136, "aff_hs": -0.24230781694253287, "repeats_pf": {"runs": 3, "values": [-0.8242, -0.8064, -0.8372], "mean": -0.8226, "spread": 0.0309}, "repeats_hs": {"runs": 3, "values": [-0.1965, -0.318, -0.2125], "mean": -0.2423, "spread": 0.1215}, "at": 1787556514}, "tier": 1, "relegate_reason": [], "submitted_at": 1787543481, "scored_at": 1787556514, "alerts": [], "rank": 3093}, {"candidate_id": "ODC-AE8C30", "res_at": 1787187504, "skeleton": "ACDWHRDOEFVSTA", "hf_user": "Ku-ku", "display_name": "L9_vinyl_SCHF2_OMeBiPh", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 40.002, "axes": {"activity": 19.31, "binding": 8.01, "selectivity": 3.85, "admet": 2.31, "novelty": 3.59, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.759, "fraction": 0.644}, "binding": {"pIC50": 6.26, "LE": 0.286, "potency_term": 0.42, "efficiency_cap": 0.953}, "selectivity": {"fold": 8.2, "selectivity_term": 0.457, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.462, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.38, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.758859368069282, "aff_pf": -0.26079776883125305, "aff_hs": 0.6541772484779358, "repeats_pf": {"runs": 3, "values": [-0.2349, -0.3007, -0.2468], "mean": -0.2608, "spread": 0.0657}, "repeats_hs": {"runs": 3, "values": [0.8846, 0.6378, 0.4401], "mean": 0.6542, "spread": 0.4445}, "at": 1787187504}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184116, "scored_at": 1787187504, "alerts": [], "rank": 3094}, {"candidate_id": "ODC-42EAF4", "res_at": 1786892252, "skeleton": "CEZYGDRWJZTHFD", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 39.998, "axes": {"activity": 9.42, "binding": 12.71, "selectivity": 9.53, "admet": 4.47, "novelty": 1.32, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.165, "fraction": 0.314}, "binding": {"pIC50": 6.91, "LE": 0.378, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.5, "selectivity_term": 0.749, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.819, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.229, "ld50-zhu": 0.717, "herg": 0.065, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.792, "novelty": 0.208}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.165435932469441, "aff_pf": -0.9064986308415731, "aff_hs": 0.5923621753851572, "repeats_pf": {"runs": 3, "values": [-0.9301, -0.8761, -0.9133], "mean": -0.9065, "spread": 0.054}, "repeats_hs": {"runs": 3, "values": [0.6758, 0.492, 0.6094], "mean": 0.5924, "spread": 0.1838}, "at": 1786892252}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878929, "scored_at": 1786892252, "alerts": [], "rank": 3095}, {"candidate_id": "ODC-646EBE", "res_at": 1786844869, "skeleton": "CFEHNNZEANSDHM", "hf_user": "1Dmeds", "display_name": "ODC26-KO-02", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.995, "axes": {"activity": 13.06, "binding": 12.19, "selectivity": 6.18, "admet": 3.91, "novelty": 1.79, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.383, "fraction": 0.435}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.54, "cyp3a4-substrate-carbonmangels": 0.36, "ld50-zhu": 0.399, "herg": 0.088, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "2", "pAct_q10": 5.383480363960683, "aff_pf": -0.8277864456176758, "aff_hs": 0.18586878975232443, "repeats_pf": {"runs": 3, "values": [-0.8429, -0.8507, -0.7897], "mean": -0.8278, "spread": 0.0611}, "repeats_hs": {"runs": 3, "values": [0.2231, 0.1611, 0.1734], "mean": 0.1859, "spread": 0.062}, "at": 1786844869}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832744, "scored_at": 1786844869, "alerts": [], "rank": 3096}, {"candidate_id": "ODC-5802F9", "res_at": 1787871665, "skeleton": "VMSIMKNJLFYVOT", "hf_user": "Bio-JS", "display_name": "팔: 설폰 고리 6원 -> 4원", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.982, "axes": {"activity": 13.48, "binding": 12.98, "selectivity": 3.99, "admet": 2.56, "novelty": 4.41, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.449}, "binding": {"pIC50": 7.1, "LE": 0.278, "potency_term": 0.7, "efficiency_cap": 0.927}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.7}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.28, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.408952735764868, "aff_pf": -1.1014084418614705, "aff_hs": -0.5322451045115789, "repeats_pf": {"runs": 3, "values": [-1.0924, -1.0995, -1.1123], "mean": -1.1014, "spread": 0.0199}, "repeats_hs": {"runs": 3, "values": [-0.6419, -0.2349, -0.72], "mean": -0.5322, "spread": 0.4851}, "at": 1787851272}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795916, "scored_at": 1787851272, "alerts": [], "rank": 3097}, {"candidate_id": "ODC-C90BE3", "res_at": 1789249982, "skeleton": "QSKKMZLJVGULRP", "hf_user": "Ku-ku", "display_name": "KK-M-0913-830", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 39.946, "axes": {"activity": 18.32, "binding": 11.01, "selectivity": 0.0, "admet": 4.77, "novelty": 4.16, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.699, "fraction": 0.611}, "binding": {"pIC50": 6.65, "LE": 0.325, "potency_term": 0.55, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.55}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.536, "herg": 0.1, "dili": 0.808}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 4.05}}, "run": {"gpu": "0", "pAct_q10": 5.6989876645223205, "aff_pf": -0.6509154240290324, "aff_hs": -1.0431817173957825, "repeats_pf": {"runs": 3, "values": [-0.7499, -0.6959, -0.5069], "mean": -0.6509, "spread": 0.243}, "repeats_hs": {"runs": 3, "values": [-0.93, -1.1167, -1.0829], "mean": -1.0432, "spread": 0.1868}, "at": 1789249982}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.357, "total_ci95": [39.406, 40.486], "relegate_reason": [], "submitted_at": 1789235528, "scored_at": 1789249982, "rank": 3098}, {"candidate_id": "ODC-0569A9", "res_at": 1786845781, "skeleton": "JXTGPQOMMMFZCN", "hf_user": "DOATC", "display_name": "SOL_70_COREHOP_BRF01", "model_name": "OPenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 39.937, "axes": {"activity": 3.45, "binding": 14.72, "selectivity": 9.08, "admet": 5.23, "novelty": 4.19, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 4.807, "fraction": 0.115}, "binding": {"pIC50": 7.21, "LE": 0.47, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.2, "selectivity_term": 0.617, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 0.282, "ld50-zhu": 0.279, "herg": 0.674, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 4.80710386741809, "aff_pf": -1.2073323726654053, "aff_hs": 0.027084728082021076, "repeats_pf": {"runs": 3, "values": [-1.1876, -1.1949, -1.2395], "mean": -1.2073, "spread": 0.0519}, "repeats_hs": {"runs": 3, "values": [-0.0288, 0.0476, 0.0624], "mean": 0.0271, "spread": 0.0912}, "at": 1786845781}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837320, "scored_at": 1786845781, "alerts": [], "rank": 3099}, {"candidate_id": "ODC-FB94AA", "res_at": 1788593409, "skeleton": "WMNONAMDWFSSAP", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 39.927, "axes": {"activity": 18.59, "binding": 9.07, "selectivity": 2.33, "admet": 3.6, "novelty": 3.73, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.62}, "binding": {"pIC50": 6.36, "LE": 0.323, "potency_term": 0.453, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.257, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.74, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.715347081906699, "aff_pf": -0.36007911960283917, "aff_hs": 0.15355479220549265, "repeats_pf": {"runs": 3, "values": [-0.3274, -0.3894, -0.3635], "mean": -0.3601, "spread": 0.062}, "repeats_hs": {"runs": 3, "values": [0.1306, 0.2047, 0.1253], "mean": 0.1536, "spread": 0.0795}, "at": 1788593409}, "tier": 1, "alerts": [], "total_sd": 0.214, "total_ci95": [39.516, 40.317], "relegate_reason": [], "submitted_at": 1788583565, "scored_at": 1788593409, "rank": 3100}, {"candidate_id": "ODC-CD1D29", "res_at": 1789125605, "skeleton": "OAPIFDQYQCAIKD", "hf_user": "trblnfxn", "display_name": "NC-OPT5-03_C2_F", "model_name": "Hermes-C5Cl-C2Scan-v5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1nc2n··········)n2n1", "total": 39.919, "axes": {"activity": 15.23, "binding": 9.82, "selectivity": 5.62, "admet": 4.35, "novelty": 2.68, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.514, "fraction": 0.508}, "binding": {"pIC50": 6.47, "LE": 0.386, "potency_term": 0.491, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.491}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.644, "cyp3a4-substrate-carbonmangels": 0.609, "ld50-zhu": 0.474, "herg": 0.815, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.5138374718082765, "aff_pf": -0.4732634723186493, "aff_hs": 0.671297291914622, "repeats_pf": {"runs": 3, "values": [-0.3391, -0.602, -0.4787], "mean": -0.4733, "spread": 0.2629}, "repeats_hs": {"runs": 3, "values": [0.6297, 0.7479, 0.6363], "mean": 0.6713, "spread": 0.1181}, "at": 1789125605}, "tier": 1, "alerts": [], "total_sd": 0.984, "total_ci95": [38.414, 41.922], "relegate_reason": [], "submitted_at": 1789125185, "scored_at": 1789125605, "rank": 3101}, {"candidate_id": "ODC-EE881E", "res_at": 1787921222, "skeleton": "LIQAXZHXHVLRLK", "hf_user": "Bio-JS", "display_name": "K4 코어2-Et x 옥세탄 (부피만 +1, 전자 중립)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cnc12", "total": 39.915, "axes": {"activity": 18.86, "binding": 7.86, "selectivity": 3.64, "admet": 2.67, "novelty": 4.27, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.732, "fraction": 0.629}, "binding": {"pIC50": 6.48, "LE": 0.24, "potency_term": 0.492, "efficiency_cap": 0.799}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.44, "caco2-wang": 0.313, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.237, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.365, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.731527957906063, "aff_pf": -0.47555071115493774, "aff_hs": 0.2638162871201833, "repeats_pf": {"runs": 3, "values": [-0.3544, -0.4055, -0.6668], "mean": -0.4756, "spread": 0.3124}, "repeats_hs": {"runs": 3, "values": [0.199, 0.1772, 0.4152], "mean": 0.2638, "spread": 0.238}, "at": 1787921222}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898889, "scored_at": 1787921222, "alerts": [], "rank": 3102}, {"candidate_id": "ODC-DDEC9D", "res_at": 1787039592, "skeleton": "PQAMTBGYRGHGGG", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 39.913, "axes": {"activity": 11.85, "binding": 11.05, "selectivity": 9.17, "admet": 1.78, "novelty": 3.71, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.311, "fraction": 0.395}, "binding": {"pIC50": 6.66, "LE": 0.326, "potency_term": 0.552, "efficiency_cap": 1.0}, "selectivity": {"fold": 45.6, "selectivity_term": 0.83, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.215, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.612, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.3110850684930435, "aff_pf": -0.6572946508725485, "aff_hs": 1.0021150906880696, "repeats_pf": {"runs": 3, "values": [-0.5422, -0.6973, -0.7324], "mean": -0.6573, "spread": 0.1902}, "repeats_hs": {"runs": 3, "values": [1.0116, 1.0032, 0.9916], "mean": 1.0021, "spread": 0.02}, "at": 1787039592}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035830, "scored_at": 1787039592, "alerts": [], "rank": 3103}, {"candidate_id": "ODC-EFF128", "res_at": 1789881268, "skeleton": "SRDAOYAEZJJSSZ", "hf_user": "Bio-JS", "display_name": "0917-S1-div23", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Br", "total": 39.905, "axes": {"activity": 12.64, "binding": 11.67, "selectivity": 5.58, "admet": 4.33, "novelty": 3.77, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 6.75, "LE": 0.385, "potency_term": 0.583, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.492, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.43, "herg": 0.889, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "0", "pAct_q10": 5.3582075838570455, "aff_pf": -0.7501875559488932, "aff_hs": 0.2058229943116506, "repeats_pf": {"runs": 3, "values": [-0.7784, -0.7706, -0.7016], "mean": -0.7502, "spread": 0.0768}, "repeats_hs": {"runs": 3, "values": [0.1511, 0.2066, 0.2597], "mean": 0.2058, "spread": 0.1086}, "at": 1789881268}, "tier": 1, "alerts": [], "total_sd": 0.47, "total_ci95": [38.873, 40.67], "relegate_reason": [], "submitted_at": 1789628643, "scored_at": 1789881268, "rank": 3104}, {"candidate_id": "ODC-485991", "res_at": 1786854017, "skeleton": "HLGYKIQWFNYDBL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.903, "axes": {"activity": 19.95, "binding": 8.03, "selectivity": 2.01, "admet": 3.66, "novelty": 3.74, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.797, "fraction": 0.665}, "binding": {"pIC50": 6.2, "LE": 0.354, "potency_term": 0.402, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.402}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.931, "cyp2c9-veith": 0.088, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.447, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.796879390434538, "aff_pf": -0.20467393100261688, "aff_hs": 0.29571906725565594, "repeats_pf": {"runs": 3, "values": [-0.1595, -0.2731, -0.1815], "mean": -0.2047, "spread": 0.1136}, "repeats_hs": {"runs": 3, "values": [0.302, 0.3395, 0.2456], "mean": 0.2957, "spread": 0.0939}, "at": 1786854017}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847658, "scored_at": 1786854017, "alerts": [], "rank": 3105}, {"candidate_id": "ODC-8B5F70", "res_at": 1786823877, "skeleton": "ZNRYTGMYGMVHAZ", "hf_user": "ipsych", "display_name": "TPS-Soxet-4Cl3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.888, "axes": {"activity": 15.17, "binding": 10.56, "selectivity": 6.72, "admet": 2.62, "novelty": 2.55, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.58, "LE": 0.376, "potency_term": 0.528, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.7, "selectivity_term": 0.636, "target_engagement": 0.528}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.84, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.412, "herg": 0.05, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.510197760305446, "aff_pf": -0.5844687521457672, "aff_hs": 0.6873640418052673, "repeats_pf": {"runs": 3, "values": [-0.4653, -0.6958, -0.5924], "mean": -0.5845, "spread": 0.2305}, "repeats_hs": {"runs": 3, "values": [0.7199, 0.7486, 0.5936], "mean": 0.6874, "spread": 0.155}, "at": 1786823877}, "tier": 1, "relegate_reason": [], "submitted_at": 1786790111, "scored_at": 1786823877, "alerts": [], "rank": 3106}, {"candidate_id": "ODC-F8CEED", "res_at": 1789963400, "skeleton": "NGZKSLKNQXDCPN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 39.872, "axes": {"activity": 20.18, "binding": 6.5, "selectivity": 4.08, "admet": 3.02, "novelty": 2.73, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.811, "fraction": 0.673}, "binding": {"pIC50": 6.17, "LE": 0.249, "potency_term": 0.392, "efficiency_cap": 0.829}, "selectivity": {"fold": 11.0, "selectivity_term": 0.521, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 0.986, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.953, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.271}}, "novelty": {"max_tanimoto": 0.594, "novelty": 0.406}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "2", "pAct_q10": 5.811082001334551, "aff_pf": -0.174774169921875, "aff_hs": 0.867131769657135, "repeats_pf": {"runs": 3, "values": [-0.1343, -0.3887, -0.0014], "mean": -0.1748, "spread": 0.3873}, "repeats_hs": {"runs": 3, "values": [0.8606, 0.8074, 0.9334], "mean": 0.8671, "spread": 0.126}, "at": 1789963400}, "tier": 1, "alerts": [], "total_sd": 1.334, "total_ci95": [37.577, 42.778], "relegate_reason": [], "submitted_at": 1789907340, "scored_at": 1789963400, "rank": 3107}, {"candidate_id": "ODC-6E1980", "res_at": 1787638145, "skeleton": "OSAXLPZABRIKFJ", "hf_user": "Moonweave", "display_name": "M5AI-LOC-CAND-01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 39.87, "axes": {"activity": 16.17, "binding": 12.39, "selectivity": 2.7, "admet": 3.01, "novelty": 2.57, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 6.86, "LE": 0.348, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.218, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.417, "herg": 0.05, "dili": 0.847}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.570347229016031, "aff_pf": -0.8583490053812662, "aff_hs": -0.42275529106458026, "repeats_pf": {"runs": 3, "values": [-0.8269, -0.8324, -0.9158], "mean": -0.8583, "spread": 0.0889}, "repeats_hs": {"runs": 3, "values": [-0.5082, -0.375, -0.3851], "mean": -0.4228, "spread": 0.1332}, "at": 1787638145}, "tier": 1, "relegate_reason": [], "submitted_at": 1787635858, "scored_at": 1787638145, "alerts": [], "rank": 3108}, {"candidate_id": "ODC-1DCB87", "res_at": 1787023845, "skeleton": "FDAKYQZCJPJZCL", "hf_user": "takutoyo", "display_name": "PfD5-A3", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 39.86, "axes": {"activity": 22.87, "binding": 5.51, "selectivity": 0.0, "admet": 2.95, "novelty": 5.15, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.972, "fraction": 0.762}, "binding": {"pIC50": 5.92, "LE": 0.27, "potency_term": 0.306, "efficiency_cap": 0.901}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.306}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.971943274009234, "aff_pf": 0.08272704978783925, "aff_hs": -0.13941485931475958, "repeats_pf": {"runs": 3, "values": [0.1006, 0.0014, 0.1462], "mean": 0.0827, "spread": 0.1448}, "repeats_hs": {"runs": 3, "values": [-0.2076, -0.0256, -0.185], "mean": -0.1394, "spread": 0.182}, "at": 1787023845}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023026, "scored_at": 1787023845, "alerts": [], "rank": 3109}, {"candidate_id": "ODC-AC3262", "res_at": 1787495910, "skeleton": "LQPFYUJTUBCPNZ", "hf_user": "takutoyo", "display_name": "PfD15-22", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 39.851, "axes": {"activity": 17.28, "binding": 10.07, "selectivity": 4.97, "admet": 2.32, "novelty": 3.42, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 6.72, "LE": 0.263, "potency_term": 0.574, "efficiency_cap": 0.877}, "selectivity": {"fold": 7.3, "selectivity_term": 0.432, "target_engagement": 0.574}, "admet": {"geometric_mean": 0.269, "per_endpoint": {"solubility-aqsoldb": 0.097, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "3", "pAct_q10": 5.636620541290669, "aff_pf": -0.7223005890846252, "aff_hs": 0.14261900509397188, "repeats_pf": {"runs": 3, "values": [-0.7142, -0.6917, -0.761], "mean": -0.7223, "spread": 0.0693}, "repeats_hs": {"runs": 3, "values": [0.2292, 0.1746, 0.0241], "mean": 0.1426, "spread": 0.2051}, "at": 1787495910}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491727, "scored_at": 1787495910, "alerts": [], "rank": 3110}, {"candidate_id": "ODC-461CA1", "res_at": 1787584812, "skeleton": "XDXYBRKYWCFWPY", "hf_user": "takutoyo", "display_name": "PfD17-14", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 39.843, "axes": {"activity": 22.44, "binding": 7.32, "selectivity": 0.19, "admet": 2.66, "novelty": 5.33, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.946, "fraction": 0.748}, "binding": {"pIC50": 6.42, "LE": 0.232, "potency_term": 0.474, "efficiency_cap": 0.772}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.929, "herg": 0.05, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 4.22}}, "run": {"gpu": "3", "pAct_q10": 5.946354920349005, "aff_pf": -0.42229321599006653, "aff_hs": -0.3825991153717041, "repeats_pf": {"runs": 3, "values": [-0.4227, -0.459, -0.3851], "mean": -0.4223, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [-0.3791, -0.4272, -0.3416], "mean": -0.3826, "spread": 0.0856}, "at": 1787584812}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581797, "scored_at": 1787584812, "alerts": [], "rank": 3111}, {"candidate_id": "ODC-022D8E", "res_at": 1787625210, "skeleton": "XMDJMAMHXPQSMI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 39.837, "axes": {"activity": 17.07, "binding": 13.84, "selectivity": 0.06, "admet": 2.6, "novelty": 3.29, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.624, "fraction": 0.569}, "binding": {"pIC50": 7.08, "LE": 0.303, "potency_term": 0.692, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.004, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.059, "cyp3a4-substrate-carbonmangels": 0.463, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.624123654152022, "aff_pf": -1.0767039855321248, "aff_hs": -1.067793607711792, "repeats_pf": {"runs": 3, "values": [-1.0508, -1.0953, -1.0839], "mean": -1.0767, "spread": 0.0445}, "repeats_hs": {"runs": 3, "values": [-0.9904, -1.1396, -1.0734], "mean": -1.0678, "spread": 0.1492}, "at": 1787625210}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621020, "scored_at": 1787625210, "alerts": [], "rank": 3112}, {"candidate_id": "ODC-705E19", "res_at": 1788308609, "skeleton": "QNPMQQFFPOMLJP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC=COc1··········2)cc1", "total": 39.816, "axes": {"activity": 13.51, "binding": 13.24, "selectivity": 3.11, "admet": 2.91, "novelty": 4.16, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.45}, "binding": {"pIC50": 7.27, "LE": 0.262, "potency_term": 0.758, "efficiency_cap": 0.874}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.731, "herg": 0.05, "dili": 0.145}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.410620780986734, "aff_pf": -1.2726053794225056, "aff_hs": -0.861719032128652, "repeats_pf": {"runs": 3, "values": [-1.24, -1.2924, -1.2854], "mean": -1.2726, "spread": 0.0524}, "repeats_hs": {"runs": 3, "values": [-1.0133, -0.4296, -1.1423], "mean": -0.8617, "spread": 0.7127}, "at": 1788308609}, "tier": 1, "alerts": [], "total_sd": 1.545, "total_ci95": [37.368, 43.451], "relegate_reason": [], "submitted_at": 1788276498, "scored_at": 1788308609, "rank": 3113}, {"candidate_id": "ODC-535DDF", "res_at": 1788903043, "skeleton": "JYSWPHPEJYMLCJ", "hf_user": "Bio-JS", "display_name": "0909-S1-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 39.801, "axes": {"activity": 10.52, "binding": 11.5, "selectivity": 8.36, "admet": 4.04, "novelty": 3.05, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 6.72, "LE": 0.354, "potency_term": 0.575, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.5, "selectivity_term": 0.728, "target_engagement": 0.575}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.424, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.52, "herg": 0.352, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.231178571625446, "aff_pf": -0.7242956161499023, "aff_hs": 0.7307755748430887, "repeats_pf": {"runs": 3, "values": [-0.6775, -0.8496, -0.6458], "mean": -0.7243, "spread": 0.2037}, "repeats_hs": {"runs": 3, "values": [0.7268, 0.6964, 0.7691], "mean": 0.7308, "spread": 0.0727}, "at": 1788903043}, "tier": 1, "alerts": [], "total_sd": 1.155, "total_ci95": [38.114, 42.701], "relegate_reason": [], "submitted_at": 1788902702, "scored_at": 1788903043, "rank": 3114}, {"candidate_id": "ODC-6F704C", "res_at": 1789266028, "skeleton": "XGPLDDNPWJNEKD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 39.796, "axes": {"activity": 13.43, "binding": 11.51, "selectivity": 5.72, "admet": 3.6, "novelty": 2.78, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.406, "fraction": 0.448}, "binding": {"pIC50": 6.73, "LE": 0.384, "potency_term": 0.576, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.497, "target_engagement": 0.576}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.768, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.412, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.405954274721345, "aff_pf": -0.7272142370541891, "aff_hs": 0.2668098509311676, "repeats_pf": {"runs": 3, "values": [-0.6665, -0.7248, -0.7904], "mean": -0.7272, "spread": 0.1239}, "repeats_hs": {"runs": 3, "values": [0.3895, 0.3221, 0.0888], "mean": 0.2668, "spread": 0.3008}, "at": 1789266028}, "tier": 1, "alerts": [], "total_sd": 0.693, "total_ci95": [38.532, 41.393], "relegate_reason": [], "submitted_at": 1789263229, "scored_at": 1789266028, "rank": 3115}, {"candidate_id": "ODC-300C67", "res_at": 1787254514, "skeleton": "MPFSCRYYPYAFQW", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 39.793, "axes": {"activity": 16.04, "binding": 8.76, "selectivity": 5.48, "admet": 3.46, "novelty": 3.76, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.563, "fraction": 0.535}, "binding": {"pIC50": 6.5, "LE": 0.262, "potency_term": 0.501, "efficiency_cap": 0.874}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.501}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.708, "hia-hou": 0.928, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.729, "ld50-zhu": 0.681, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.562618870993062, "aff_pf": -0.5035134255886078, "aff_hs": 0.5898458858331045, "repeats_pf": {"runs": 3, "values": [-0.5119, -0.4999, -0.4987], "mean": -0.5035, "spread": 0.0132}, "repeats_hs": {"runs": 3, "values": [0.7555, 0.4352, 0.5789], "mean": 0.5898, "spread": 0.3203}, "at": 1787254514}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246828, "scored_at": 1787254514, "alerts": [], "rank": 3116}, {"candidate_id": "ODC-FD04F0", "res_at": 1787871835, "skeleton": "NIWUOHRCRYYEFP", "hf_user": "Bio-JS", "display_name": "고리 산소 + 스페이서: (옥세탄-3-일)메틸", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.787, "axes": {"activity": 13.42, "binding": 10.59, "selectivity": 7.18, "admet": 2.65, "novelty": 3.6, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 6.83, "LE": 0.26, "potency_term": 0.611, "efficiency_cap": 0.867}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.454, "caco2-wang": 0.296, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.148, "ld50-zhu": 0.546, "herg": 0.05, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.405307980493336, "aff_pf": -0.8325783014297485, "aff_hs": 0.3431558708349864, "repeats_pf": {"runs": 3, "values": [-0.8353, -0.8249, -0.8375], "mean": -0.8326, "spread": 0.0126}, "repeats_hs": {"runs": 3, "values": [0.2805, 0.3582, 0.3907], "mean": 0.3432, "spread": 0.1102}, "at": 1787867463}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813168, "scored_at": 1787867463, "alerts": [], "rank": 3117}, {"candidate_id": "ODC-71CCDD", "res_at": 1786846357, "skeleton": "SOCIBDHLTLFOMJ", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt-5.6 Sol", "mw_band": "300-350", "visibility": "public", "smiles": "CSc1nc2nc(Cl)cc(Nc3ccc(Cl)cc3)n2n1", "smiles_masked": null, "total": 39.774, "axes": {"activity": 12.48, "binding": 12.13, "selectivity": 6.13, "admet": 4.74, "novelty": 1.27, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 6.82, "LE": 0.467, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.298, "cyp3a4-substrate-carbonmangels": 0.887, "ld50-zhu": 0.322, "herg": 0.583, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.791, "novelty": 0.209}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "2", "pAct_q10": 5.349054744097458, "aff_pf": -0.820146898428599, "aff_hs": 0.19030416260162988, "repeats_pf": {"runs": 3, "values": [-0.8527, -0.8025, -0.8052], "mean": -0.8201, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [0.1253, 0.3331, 0.1125], "mean": 0.1903, "spread": 0.2206}, "at": 1786846357}, "tier": 1, "relegate_reason": [], "submitted_at": 1786843723, "scored_at": 1786846357, "alerts": [], "rank": 3118}, {"candidate_id": "ODC-789A87", "res_at": 1789384105, "skeleton": "RXKDZTBMGJMGAD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 39.773, "axes": {"activity": 15.37, "binding": 11.55, "selectivity": 3.74, "admet": 3.68, "novelty": 2.89, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.522, "fraction": 0.512}, "binding": {"pIC50": 6.73, "LE": 0.355, "potency_term": 0.577, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.424, "ld50-zhu": 0.465, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.522391971689048, "aff_pf": -0.7322432994842529, "aff_hs": -0.08488782991965611, "repeats_pf": {"runs": 3, "values": [-0.7164, -0.7, -0.7803], "mean": -0.7322, "spread": 0.0803}, "repeats_hs": {"runs": 3, "values": [-0.1664, -0.048, -0.0402], "mean": -0.0849, "spread": 0.1262}, "at": 1789384105}, "tier": 1, "alerts": [], "total_sd": 0.457, "total_ci95": [38.912, 40.735], "relegate_reason": [], "submitted_at": 1789365982, "scored_at": 1789384105, "rank": 3119}, {"candidate_id": "ODC-9C7117", "res_at": 1787667899, "skeleton": "BTRIINPJJMGPSJ", "hf_user": "Moonweave", "display_name": "M5AI-AZA-CAND-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 39.772, "axes": {"activity": 15.87, "binding": 10.84, "selectivity": 5.14, "admet": 2.34, "novelty": 2.92, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.552, "fraction": 0.529}, "binding": {"pIC50": 6.63, "LE": 0.324, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.474, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.268, "herg": 0.05, "dili": 0.318}}, "novelty": {"max_tanimoto": 0.461, "novelty": 0.539}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.552123771475532, "aff_pf": -0.6264602343241373, "aff_hs": 0.3210818370183309, "repeats_pf": {"runs": 3, "values": [-0.6623, -0.6008, -0.6163], "mean": -0.6265, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [0.3079, 0.2907, 0.3647], "mean": 0.3211, "spread": 0.074}, "at": 1787667899}, "tier": 1, "relegate_reason": [], "submitted_at": 1787667331, "scored_at": 1787667899, "alerts": [], "rank": 3120}, {"candidate_id": "ODC-0D04F8", "res_at": 1788304407, "skeleton": "OVMRONXDAVSQRG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 39.758, "axes": {"activity": 18.83, "binding": 8.65, "selectivity": 2.71, "admet": 2.71, "novelty": 3.95, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.73, "fraction": 0.628}, "binding": {"pIC50": 6.66, "LE": 0.234, "potency_term": 0.554, "efficiency_cap": 0.78}, "selectivity": {"fold": 3.1, "selectivity_term": 0.244, "target_engagement": 0.554}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.592, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.118, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.729768765973158, "aff_pf": -0.6627222696940104, "aff_hs": -0.17402250568072, "repeats_pf": {"runs": 3, "values": [-0.6625, -0.6384, -0.6873], "mean": -0.6627, "spread": 0.0489}, "repeats_hs": {"runs": 3, "values": [-0.2383, 0.0866, -0.3704], "mean": -0.174, "spread": 0.4569}, "at": 1788304407}, "tier": 1, "alerts": [], "total_sd": 0.629, "total_ci95": [38.596, 41.086], "relegate_reason": [], "submitted_at": 1788276482, "scored_at": 1788304407, "rank": 3121}, {"candidate_id": "ODC-2A526A", "res_at": 1789017677, "skeleton": "ONHRWZNZXDRIMV", "hf_user": "Ku-ku", "display_name": "KK-M-0910-636", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 39.743, "axes": {"activity": 14.52, "binding": 11.72, "selectivity": 2.85, "admet": 5.15, "novelty": 4.04, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 6.76, "LE": 0.343, "potency_term": 0.586, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.243, "target_engagement": 0.586}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.75, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.329, "cyp3a4-substrate-carbonmangels": 0.415, "ld50-zhu": 0.452, "herg": 0.532, "dili": 0.105}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 4.24}}, "run": {"gpu": "0", "pAct_q10": 5.471166532120845, "aff_pf": -0.7573362986246744, "aff_hs": -0.2708423336346944, "repeats_pf": {"runs": 3, "values": [-0.8893, -0.6603, -0.7223], "mean": -0.7573, "spread": 0.229}, "repeats_hs": {"runs": 3, "values": [-0.3475, -0.1756, -0.2893], "mean": -0.2708, "spread": 0.1719}, "at": 1789017677}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.135, "total_ci95": [37.789, 42.351], "relegate_reason": [], "submitted_at": 1789015916, "scored_at": 1789017677, "rank": 3122}, {"candidate_id": "ODC-D84A3E", "res_at": 1786782899, "skeleton": "ANNNBOZWQJOWQJ", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········3)CC2", "total": 39.735, "axes": {"activity": 12.08, "binding": 13.95, "selectivity": 4.84, "admet": 4.9, "novelty": 1.25, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.325, "fraction": 0.403}, "binding": {"pIC50": 7.09, "LE": 0.374, "potency_term": 0.698, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.347, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.405, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.821, "novelty": 0.179}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.324697193017848, "aff_pf": -1.0925153096516926, "aff_hs": -0.39889418085416156, "repeats_pf": {"runs": 3, "values": [-1.1621, -1.0598, -1.0556], "mean": -1.0925, "spread": 0.1065}, "repeats_hs": {"runs": 3, "values": [-0.3724, -0.3561, -0.4682], "mean": -0.3989, "spread": 0.1122}, "at": 1786782899}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779963, "scored_at": 1786782899, "alerts": [], "rank": 3123}, {"candidate_id": "ODC-5CBF7A", "res_at": 1788587338, "skeleton": "HREMMXSFPQTCTM", "hf_user": "Bio-JS", "display_name": "0905-S1-30 cPr/CN/CF3/F", "model_name": "anthropic/claude-sonnet-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 39.73, "axes": {"activity": 15.65, "binding": 10.63, "selectivity": 4.74, "admet": 3.56, "novelty": 2.86, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 6.59, "LE": 0.347, "potency_term": 0.531, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.531}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.617, "herg": 0.127, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.538728302924712, "aff_pf": -0.5942418773969015, "aff_hs": 0.2975582430760066, "repeats_pf": {"runs": 3, "values": [-0.6341, -0.557, -0.5916], "mean": -0.5942, "spread": 0.0772}, "repeats_hs": {"runs": 3, "values": [0.2303, 0.2768, 0.3856], "mean": 0.2976, "spread": 0.1553}, "at": 1788587338}, "tier": 1, "alerts": [], "total_sd": 0.406, "total_ci95": [39.018, 40.55], "relegate_reason": [], "submitted_at": 1788560542, "scored_at": 1788587338, "rank": 3124}, {"candidate_id": "ODC-317148", "res_at": 1786856933, "skeleton": "ROAUODUXBSKUQR", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 39.714, "axes": {"activity": 9.06, "binding": 13.13, "selectivity": 7.21, "admet": 4.66, "novelty": 2.85, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 6.97, "LE": 0.382, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.549, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.341, "cyp3a4-substrate-carbonmangels": 0.537, "ld50-zhu": 0.411, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.1434708487024325, "aff_pf": -0.9697365760803223, "aff_hs": 0.12894816199938455, "repeats_pf": {"runs": 3, "values": [-0.9393, -0.9614, -1.0085], "mean": -0.9697, "spread": 0.0692}, "repeats_hs": {"runs": 3, "values": [0.0946, 0.1238, 0.1684], "mean": 0.1289, "spread": 0.0738}, "at": 1786856933}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847792, "scored_at": 1786856933, "alerts": [], "rank": 3125}, {"candidate_id": "ODC-9FE2F8", "res_at": 1788145860, "skeleton": "RXQALZKIRCEKCY", "hf_user": "Bio-JS", "display_name": "L4 링커 O 복제 (C2=SMe 섀시)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.698, "axes": {"activity": 14.06, "binding": 9.58, "selectivity": 7.58, "admet": 3.4, "novelty": 2.84, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.469}, "binding": {"pIC50": 6.44, "LE": 0.42, "potency_term": 0.479, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.3, "selectivity_term": 0.792, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.961, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.453, "herg": 0.436, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.443320423132845, "aff_pf": -0.43687479694684345, "aff_hs": 1.1467430194218953, "repeats_pf": {"runs": 3, "values": [-0.4433, -0.4688, -0.3986], "mean": -0.4369, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [1.2453, 1.0172, 1.1777], "mean": 1.1467, "spread": 0.2281}, "at": 1788145860}, "tier": 1, "alerts": [], "total_sd": 0.464, "total_ci95": [38.772, 40.6], "relegate_reason": [], "submitted_at": 1788139316, "scored_at": 1788145860, "rank": 3126}, {"candidate_id": "ODC-54DDC1", "res_at": 1787019609, "skeleton": "PYQDENRBQNRNOF", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.684, "axes": {"activity": 13.53, "binding": 11.55, "selectivity": 6.21, "admet": 3.73, "novelty": 1.84, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.412, "fraction": 0.451}, "binding": {"pIC50": 6.73, "LE": 0.401, "potency_term": 0.577, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.538, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.59, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.45, "herg": 0.235, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.681, "novelty": 0.319}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.411539821155031, "aff_pf": -0.7320385972658793, "aff_hs": 0.34438556432724, "repeats_pf": {"runs": 3, "values": [-0.6601, -0.7872, -0.7488], "mean": -0.732, "spread": 0.1271}, "repeats_hs": {"runs": 3, "values": [0.3448, 0.3145, 0.3739], "mean": 0.3444, "spread": 0.0594}, "at": 1787019609}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019382, "scored_at": 1787019609, "alerts": [], "rank": 3127}, {"candidate_id": "ODC-8B57CC", "res_at": 1787504869, "skeleton": "WWUVLCXKLXOVSF", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········2)cc1", "total": 39.683, "axes": {"activity": 15.27, "binding": 9.54, "selectivity": 6.96, "admet": 2.22, "novelty": 3.42, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 6.57, "LE": 0.273, "potency_term": 0.525, "efficiency_cap": 0.91}, "selectivity": {"fold": 21.3, "selectivity_term": 0.664, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.541, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.135, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.516095417666782, "aff_pf": -0.5736388365427653, "aff_hs": 0.7539790272712708, "repeats_pf": {"runs": 3, "values": [-0.4035, -0.8987, -0.4187], "mean": -0.5736, "spread": 0.4952}, "repeats_hs": {"runs": 3, "values": [0.7273, 0.8313, 0.7033], "mean": 0.754, "spread": 0.128}, "at": 1787504869}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497900, "scored_at": 1787504869, "alerts": [], "rank": 3128}, {"candidate_id": "ODC-B7681E", "res_at": 1789002675, "skeleton": "GIJBZSLQFKGHPW", "hf_user": "Bio-JS", "display_name": "0910b-S1-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········cc1Cl", "total": 39.664, "axes": {"activity": 13.64, "binding": 11.34, "selectivity": 5.56, "admet": 4.01, "novelty": 2.69, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.455}, "binding": {"pIC50": 6.7, "LE": 0.353, "potency_term": 0.567, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.551, "herg": 0.323, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.418384145572455, "aff_pf": -0.7003260056177775, "aff_hs": 0.28104324638843536, "repeats_pf": {"runs": 3, "values": [-0.6933, -0.6882, -0.7194], "mean": -0.7003, "spread": 0.0312}, "repeats_hs": {"runs": 3, "values": [0.1393, 0.4254, 0.2785], "mean": 0.281, "spread": 0.2861}, "at": 1789002675}, "tier": 1, "alerts": [], "total_sd": 0.427, "total_ci95": [38.895, 40.482], "relegate_reason": [], "submitted_at": 1789001554, "scored_at": 1789002675, "rank": 3129}, {"candidate_id": "ODC-0F447F", "res_at": 1789056752, "skeleton": "DWTYNVIVYQLWJP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 39.658, "axes": {"activity": 14.86, "binding": 11.58, "selectivity": 3.66, "admet": 4.61, "novelty": 2.38, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.495}, "binding": {"pIC50": 6.74, "LE": 0.369, "potency_term": 0.579, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.316, "target_engagement": 0.579}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.716, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.474, "herg": 0.552, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.49169823493622, "aff_pf": -0.7375797828038534, "aff_hs": -0.10631680488586426, "repeats_pf": {"runs": 3, "values": [-0.776, -0.6944, -0.7423], "mean": -0.7376, "spread": 0.0816}, "repeats_hs": {"runs": 3, "values": [-0.0486, -0.1719, -0.0984], "mean": -0.1063, "spread": 0.1233}, "at": 1789056752}, "tier": 1, "alerts": [], "total_sd": 0.416, "total_ci95": [38.881, 40.532], "relegate_reason": [], "submitted_at": 1789041231, "scored_at": 1789056752, "rank": 3130}, {"candidate_id": "ODC-D683A1", "res_at": 1789101210, "skeleton": "IFEKXNGGBXZHQH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.658, "axes": {"activity": 9.65, "binding": 12.64, "selectivity": 7.43, "admet": 4.33, "novelty": 2.87, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.179, "fraction": 0.322}, "binding": {"pIC50": 6.9, "LE": 0.394, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.0, "selectivity_term": 0.588, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.348, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.796, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.178846323889886, "aff_pf": -0.8959541916847229, "aff_hs": 0.27927639583746594, "repeats_pf": {"runs": 3, "values": [-0.9089, -0.8535, -0.9254], "mean": -0.896, "spread": 0.0719}, "repeats_hs": {"runs": 3, "values": [0.1561, 0.4309, 0.2508], "mean": 0.2793, "spread": 0.2748}, "at": 1789101210}, "tier": 1, "alerts": [], "total_sd": 0.575, "total_ci95": [38.676, 40.698], "relegate_reason": [], "submitted_at": 1789093005, "scored_at": 1789101210, "rank": 3131}, {"candidate_id": "ODC-7FBDEC", "res_at": 1786982660, "skeleton": "BWUSVBBWMDRFGT", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 39.652, "axes": {"activity": 16.31, "binding": 9.72, "selectivity": 3.87, "admet": 4.5, "novelty": 2.77, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 6.46, "LE": 0.385, "potency_term": 0.486, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.486}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.724, "cyp3a4-substrate-carbonmangels": 0.258, "ld50-zhu": 0.381, "herg": 0.832, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.578831943265072, "aff_pf": -0.45822786291440326, "aff_hs": 0.3387988706429799, "repeats_pf": {"runs": 3, "values": [-0.4272, -0.4024, -0.5451], "mean": -0.4582, "spread": 0.1427}, "repeats_hs": {"runs": 3, "values": [0.411, 0.3017, 0.3037], "mean": 0.3388, "spread": 0.1093}, "at": 1786982660}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979508, "scored_at": 1786982660, "alerts": [], "rank": 3132}, {"candidate_id": "ODC-C9EE51", "res_at": 1787084821, "skeleton": "PNKFBKAMMJOSRN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 39.652, "axes": {"activity": 17.0, "binding": 9.34, "selectivity": 5.16, "admet": 1.93, "novelty": 3.8, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.62, "fraction": 0.567}, "binding": {"pIC50": 6.4, "LE": 0.302, "potency_term": 0.467, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.552, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.574, "herg": 0.127, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.6202327320609715, "aff_pf": -0.4007122715314229, "aff_hs": 0.7041247685750326, "repeats_pf": {"runs": 3, "values": [-0.314, -0.5185, -0.3696], "mean": -0.4007, "spread": 0.2044}, "repeats_hs": {"runs": 3, "values": [0.7441, 0.6273, 0.7409], "mean": 0.7041, "spread": 0.1168}, "at": 1787084821}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074098, "scored_at": 1787084821, "alerts": [], "rank": 3133}, {"candidate_id": "ODC-4D3925", "res_at": 1788222247, "skeleton": "QSIWKBIDHAYIDY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-12]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.649, "axes": {"activity": 9.87, "binding": 14.48, "selectivity": 3.14, "admet": 5.97, "novelty": 3.35, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.192, "fraction": 0.329}, "binding": {"pIC50": 7.17, "LE": 0.378, "potency_term": 0.724, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.217, "target_engagement": 0.724}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.721, "cyp3a4-substrate-carbonmangels": 0.76, "ld50-zhu": 0.564, "herg": 0.584, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.1923902182896295, "aff_pf": -1.171669363975525, "aff_hs": -0.7378118634223938, "repeats_pf": {"runs": 3, "values": [-1.1824, -1.1731, -1.1595], "mean": -1.1717, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [-0.8002, -0.7595, -0.6537], "mean": -0.7378, "spread": 0.1466}, "at": 1788222247}, "tier": 1, "alerts": [], "total_sd": 0.278, "total_ci95": [39.137, 40.164], "relegate_reason": [], "submitted_at": 1788155955, "scored_at": 1788222247, "rank": 3134}, {"candidate_id": "ODC-9F72CB", "res_at": 1786874501, "skeleton": "OTCPZTUFZWVSPV", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.641, "axes": {"activity": 13.23, "binding": 10.9, "selectivity": 5.54, "admet": 4.74, "novelty": 2.92, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 6.64, "LE": 0.395, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.4, "selectivity_term": 0.508, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.931, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.704, "cyp3a4-substrate-carbonmangels": 0.474, "ld50-zhu": 0.434, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 5.3935616266302935, "aff_pf": -0.6353773872057596, "aff_hs": 0.381501168012619, "repeats_pf": {"runs": 3, "values": [-0.6407, -0.5944, -0.671], "mean": -0.6354, "spread": 0.0766}, "repeats_hs": {"runs": 3, "values": [0.397, 0.345, 0.4025], "mean": 0.3815, "spread": 0.0574}, "at": 1786874501}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866716, "scored_at": 1786874501, "alerts": [], "rank": 3135}, {"candidate_id": "ODC-AE327B", "res_at": 1786885099, "skeleton": "AZVBVAFGKQKNAJ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.638, "axes": {"activity": 11.81, "binding": 12.22, "selectivity": 6.87, "admet": 3.92, "novelty": 1.83, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.693, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.394, "herg": 0.161, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "2", "pAct_q10": 5.308783326173761, "aff_pf": -0.8333968122800192, "aff_hs": 0.29084255794684094, "repeats_pf": {"runs": 3, "values": [-0.8522, -0.8198, -0.8282], "mean": -0.8334, "spread": 0.0324}, "repeats_hs": {"runs": 3, "values": [0.2491, 0.3627, 0.2608], "mean": 0.2908, "spread": 0.1136}, "at": 1786885099}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878939, "scored_at": 1786885099, "alerts": [], "rank": 3136}, {"candidate_id": "ODC-E6C9F5", "res_at": 1786949590, "skeleton": "DHKMHNNDYPUUSG", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.627, "axes": {"activity": 14.06, "binding": 11.43, "selectivity": 4.55, "admet": 4.68, "novelty": 2.17, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.469}, "binding": {"pIC50": 6.71, "LE": 0.438, "potency_term": 0.572, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.398, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.35, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.367, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.62, "novelty": 0.38}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "2", "pAct_q10": 5.443374361567879, "aff_pf": -0.7149216731389364, "aff_hs": 0.08160766710837682, "repeats_pf": {"runs": 3, "values": [-0.7265, -0.7709, -0.6474], "mean": -0.7149, "spread": 0.1236}, "repeats_hs": {"runs": 3, "values": [0.0883, 0.0841, 0.0724], "mean": 0.0816, "spread": 0.0159}, "at": 1786949590}, "tier": 1, "relegate_reason": [], "submitted_at": 1786938907, "scored_at": 1786949590, "alerts": [], "rank": 3137}, {"candidate_id": "ODC-FE9761", "res_at": 1789105466, "skeleton": "BNAXMWLZUSFWMN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.624, "axes": {"activity": 12.55, "binding": 13.47, "selectivity": 3.52, "admet": 3.87, "novelty": 3.42, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 7.02, "LE": 0.37, "potency_term": 0.674, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.674}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.218}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.352856159287995, "aff_pf": -1.0211774905522664, "aff_hs": -0.49913453062375385, "repeats_pf": {"runs": 3, "values": [-1.1275, -1.053, -0.883], "mean": -1.0212, "spread": 0.2445}, "repeats_hs": {"runs": 3, "values": [-0.479, -0.4966, -0.5218], "mean": -0.4991, "spread": 0.0429}, "at": 1789105466}, "tier": 1, "alerts": [], "total_sd": 1.271, "total_ci95": [36.869, 41.428], "relegate_reason": [], "submitted_at": 1789093515, "scored_at": 1789105466, "rank": 3138}, {"candidate_id": "ODC-4733B0", "res_at": 1787228095, "skeleton": "MYEUHESBRZCQFC", "hf_user": "takutoyo", "display_name": "PfD10-05", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········cc1Cl", "total": 39.622, "axes": {"activity": 19.99, "binding": 7.68, "selectivity": 1.63, "admet": 3.15, "novelty": 4.12, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.799, "fraction": 0.666}, "binding": {"pIC50": 6.15, "LE": 0.312, "potency_term": 0.384, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.578, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.364, "herg": 0.146, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.7992385164507585, "aff_pf": -0.15166187286376953, "aff_hs": 0.2722425162792206, "repeats_pf": {"runs": 3, "values": [-0.2297, -0.0218, -0.2035], "mean": -0.1517, "spread": 0.2079}, "repeats_hs": {"runs": 3, "values": [0.3867, 0.1876, 0.2424], "mean": 0.2722, "spread": 0.1991}, "at": 1787228095}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227197, "scored_at": 1787228095, "alerts": [], "rank": 3139}, {"candidate_id": "ODC-B3A2D8", "res_at": 1787039981, "skeleton": "QVCQTQUAISFLIM", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 39.614, "axes": {"activity": 12.32, "binding": 11.32, "selectivity": 7.87, "admet": 1.76, "novelty": 3.88, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.339, "fraction": 0.411}, "binding": {"pIC50": 6.7, "LE": 0.316, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.6, "selectivity_term": 0.695, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.207, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.486, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.339298846630279, "aff_pf": -0.6986156105995178, "aff_hs": 0.6917222142219543, "repeats_pf": {"runs": 3, "values": [-0.6363, -0.6941, -0.7654], "mean": -0.6986, "spread": 0.129}, "repeats_hs": {"runs": 3, "values": [0.763, 0.7171, 0.5951], "mean": 0.6917, "spread": 0.1679}, "at": 1787039981}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035852, "scored_at": 1787039981, "alerts": [], "rank": 3140}, {"candidate_id": "ODC-31891C", "res_at": 1787624877, "skeleton": "YSJXZJJRVWTGMJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 39.611, "axes": {"activity": 18.13, "binding": 9.69, "selectivity": 2.32, "admet": 3.69, "novelty": 3.36, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.688, "fraction": 0.604}, "binding": {"pIC50": 6.67, "LE": 0.261, "potency_term": 0.557, "efficiency_cap": 0.87}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.557}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.804, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.148, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.687734755839789, "aff_pf": -0.670370360215505, "aff_hs": -0.2529657632112503, "repeats_pf": {"runs": 3, "values": [-0.6037, -0.793, -0.6144], "mean": -0.6704, "spread": 0.1892}, "repeats_hs": {"runs": 3, "values": [-0.3068, -0.1747, -0.2774], "mean": -0.253, "spread": 0.1321}, "at": 1787624877}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621002, "scored_at": 1787624877, "alerts": [], "rank": 3141}, {"candidate_id": "ODC-485408", "res_at": 1789326099, "skeleton": "ONYKSXARWHVGOJ", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-04_cPrMeO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.6, "axes": {"activity": 14.12, "binding": 13.46, "selectivity": 0.59, "admet": 4.1, "novelty": 4.08, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.471}, "binding": {"pIC50": 7.02, "LE": 0.401, "potency_term": 0.673, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.044, "target_engagement": 0.673}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.555, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.447428939951891, "aff_pf": -1.0183175404866536, "aff_hs": -0.9302254120508829, "repeats_pf": {"runs": 3, "values": [-1.0206, -0.987, -1.0474], "mean": -1.0183, "spread": 0.0605}, "repeats_hs": {"runs": 3, "values": [-0.8592, -0.9906, -0.9409], "mean": -0.9302, "spread": 0.1313}, "at": 1789326099}, "tier": 1, "alerts": [], "total_sd": 0.338, "total_ci95": [38.98, 40.176], "relegate_reason": [], "submitted_at": 1789318279, "scored_at": 1789326099, "rank": 3142}, {"candidate_id": "ODC-B0A122", "res_at": 1788236916, "skeleton": "WMUXMQHYTXEPCV", "hf_user": "Bio-JS", "display_name": "0901-S1 팔 피페리딘 [헤테로 없음 대조]", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.593, "axes": {"activity": 19.03, "binding": 7.73, "selectivity": 3.31, "admet": 2.45, "novelty": 4.14, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.742, "fraction": 0.634}, "binding": {"pIC50": 6.36, "LE": 0.256, "potency_term": 0.453, "efficiency_cap": 0.854}, "selectivity": {"fold": 5.4, "selectivity_term": 0.365, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 0.602, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.58, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.428, "herg": 0.05, "dili": 0.62}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.741903820457886, "aff_pf": -0.35787732402483624, "aff_hs": 0.37309908866882324, "repeats_pf": {"runs": 3, "values": [-0.3322, -0.3971, -0.3443], "mean": -0.3579, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [0.3396, 0.3755, 0.4042], "mean": 0.3731, "spread": 0.0646}, "at": 1788236916}, "tier": 1, "alerts": [], "total_sd": 0.229, "total_ci95": [39.2, 40.043], "relegate_reason": [], "submitted_at": 1788222364, "scored_at": 1788236916, "rank": 3143}, {"candidate_id": "ODC-F9A691", "res_at": 1786986235, "skeleton": "HYUSJJKCMXVVIF", "hf_user": "1Dmeds", "display_name": "ODC26-R7-23", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.589, "axes": {"activity": 10.49, "binding": 12.0, "selectivity": 6.2, "admet": 4.93, "novelty": 3.16, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.23, "fraction": 0.35}, "binding": {"pIC50": 6.8, "LE": 0.423, "potency_term": 0.6, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.516, "target_engagement": 0.6}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.464, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.273, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 5.229672218077642, "aff_pf": -0.8000883857409159, "aff_hs": 0.2324931969245275, "repeats_pf": {"runs": 3, "values": [-0.8177, -0.7951, -0.7875], "mean": -0.8001, "spread": 0.0303}, "repeats_hs": {"runs": 3, "values": [0.1933, 0.3078, 0.1964], "mean": 0.2325, "spread": 0.1145}, "at": 1786986235}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980491, "scored_at": 1786986235, "alerts": [], "rank": 3144}, {"candidate_id": "ODC-DCCCA5", "res_at": 1789918408, "skeleton": "SPNWMDUAOWMGLT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCC(··········2)CC1", "total": 39.587, "axes": {"activity": 19.69, "binding": 6.89, "selectivity": 3.41, "admet": 3.44, "novelty": 2.88, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 5.781, "fraction": 0.656}, "binding": {"pIC50": 6.29, "LE": 0.24, "potency_term": 0.431, "efficiency_cap": 0.798}, "selectivity": {"fold": 6.2, "selectivity_term": 0.395, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.6, "herg": 0.05, "dili": 0.962}}, "novelty": {"max_tanimoto": 0.562, "novelty": 0.438}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "2", "pAct_q10": 5.781374567550332, "aff_pf": -0.29424340774615604, "aff_hs": 0.495533287525177, "repeats_pf": {"runs": 3, "values": [0.0076, -0.6749, -0.2155], "mean": -0.2942, "spread": 0.6826}, "repeats_hs": {"runs": 3, "values": [0.552, 0.4464, 0.4882], "mean": 0.4955, "spread": 0.1055}, "at": 1789918408}, "tier": 1, "alerts": [], "total_sd": 2.336, "total_ci95": [36.004, 45.358], "relegate_reason": [], "submitted_at": 1789907258, "scored_at": 1789918408, "rank": 3145}, {"candidate_id": "ODC-A84060", "res_at": 1787576967, "skeleton": "XHHXDYHYMXRPNU", "hf_user": "Ku-ku", "display_name": "KK-M-0824-33", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 39.58, "axes": {"activity": 13.2, "binding": 11.84, "selectivity": 5.64, "admet": 2.35, "novelty": 4.0, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.392, "fraction": 0.44}, "binding": {"pIC50": 6.78, "LE": 0.357, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.476, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.392161438192258, "aff_pf": -0.776188055674235, "aff_hs": 0.1764184683561325, "repeats_pf": {"runs": 3, "values": [-0.7569, -0.8882, -0.6835], "mean": -0.7762, "spread": 0.2047}, "repeats_hs": {"runs": 3, "values": [0.3914, 0.2653, -0.1275], "mean": 0.1764, "spread": 0.5189}, "at": 1787576967}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575354, "scored_at": 1787576967, "alerts": [], "rank": 3146}, {"candidate_id": "ODC-05A869", "res_at": 1787916835, "skeleton": "BMGPXXGZVCMZSQ", "hf_user": "Bio-JS", "display_name": "K8 코어2-H x 옥세탄 (치환기 제거, 음의 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 39.574, "axes": {"activity": 18.88, "binding": 7.57, "selectivity": 4.09, "admet": 3.04, "novelty": 3.24, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.733, "fraction": 0.629}, "binding": {"pIC50": 6.37, "LE": 0.249, "potency_term": 0.456, "efficiency_cap": 0.831}, "selectivity": {"fold": 7.9, "selectivity_term": 0.448, "target_engagement": 0.456}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.412, "hia-hou": 1.0, "bioavailability-ma": 0.955, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.353, "cyp3a4-substrate-carbonmangels": 0.108, "ld50-zhu": 0.373, "herg": 0.05, "dili": 0.111}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.732977601051133, "aff_pf": -0.36723768214384717, "aff_hs": 0.5295891563097636, "repeats_pf": {"runs": 3, "values": [-0.2282, -0.5492, -0.3243], "mean": -0.3672, "spread": 0.321}, "repeats_hs": {"runs": 3, "values": [0.5099, 0.5156, 0.5633], "mean": 0.5296, "spread": 0.0534}, "at": 1787916835}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898932, "scored_at": 1787916835, "alerts": [], "rank": 3147}, {"candidate_id": "ODC-D016B3", "res_at": 1789574097, "skeleton": "LQMMCJYKFDYBOL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 39.572, "axes": {"activity": 8.04, "binding": 12.96, "selectivity": 8.29, "admet": 3.56, "novelty": 4.29, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.083, "fraction": 0.268}, "binding": {"pIC50": 6.94, "LE": 0.317, "potency_term": 0.648, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.1, "selectivity_term": 0.64, "target_engagement": 0.648}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.852, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.693, "ld50-zhu": 0.745, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "0", "pAct_q10": 5.082594748634506, "aff_pf": -0.9435330231984457, "aff_hs": 0.3366907238960266, "repeats_pf": {"runs": 3, "values": [-0.8524, -0.9928, -0.9854], "mean": -0.9435, "spread": 0.1405}, "repeats_hs": {"runs": 3, "values": [0.3735, 0.3342, 0.3024], "mean": 0.3367, "spread": 0.0711}, "at": 1789574097}, "tier": 1, "alerts": [], "total_sd": 0.774, "total_ci95": [38.367, 40.799], "relegate_reason": [], "submitted_at": 1789571834, "scored_at": 1789574097, "rank": 3148}, {"candidate_id": "ODC-6E1EE3", "res_at": 1787559576, "skeleton": "DWSJNYPGQYVCPA", "hf_user": "takutoyo", "display_name": "PfD16-14", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 39.571, "axes": {"activity": 21.57, "binding": 6.78, "selectivity": 1.45, "admet": 2.78, "novelty": 4.21, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.894, "fraction": 0.719}, "binding": {"pIC50": 6.19, "LE": 0.257, "potency_term": 0.396, "efficiency_cap": 0.856}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.054, "caco2-wang": 0.473, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.765, "ld50-zhu": 0.418, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.894496670255618, "aff_pf": -0.18722670276959738, "aff_hs": 0.17980152368545532, "repeats_pf": {"runs": 3, "values": [-0.1322, -0.2183, -0.2113], "mean": -0.1872, "spread": 0.0861}, "repeats_hs": {"runs": 3, "values": [0.6049, -0.5352, 0.4697], "mean": 0.1798, "spread": 1.1401}, "at": 1787559576}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544172, "scored_at": 1787559576, "alerts": [], "rank": 3149}, {"candidate_id": "ODC-BE5E78", "res_at": 1789909961, "skeleton": "JUVRSALCQYAROW", "hf_user": "Bio-JS", "display_name": "0918-S1-div23", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 39.56, "axes": {"activity": 13.45, "binding": 11.78, "selectivity": 4.54, "admet": 3.51, "novelty": 3.75, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.448}, "binding": {"pIC50": 6.77, "LE": 0.386, "potency_term": 0.589, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.564, "cyp2c9-veith": 0.329, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.417, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.40678561315273, "aff_pf": -0.7663376728693644, "aff_hs": 0.00430715208252271, "repeats_pf": {"runs": 3, "values": [-0.7798, -0.7363, -0.7829], "mean": -0.7663, "spread": 0.0466}, "repeats_hs": {"runs": 3, "values": [-0.0068, 0.0544, -0.0347], "mean": 0.0043, "spread": 0.0892}, "at": 1789909961}, "tier": 1, "alerts": [], "total_sd": 0.266, "total_ci95": [39.033, 40.058], "relegate_reason": [], "submitted_at": 1789687071, "scored_at": 1789909961, "rank": 3150}, {"candidate_id": "ODC-9572DE", "res_at": 1789555205, "skeleton": "OERBBYGWUZHSMJ", "hf_user": "Bio-JS", "display_name": "0916-S1-div27", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········)cc1F", "total": 39.546, "axes": {"activity": 12.65, "binding": 11.91, "selectivity": 4.96, "admet": 3.6, "novelty": 3.91, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 6.79, "LE": 0.372, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.237, "cyp3a4-substrate-carbonmangels": 0.115, "ld50-zhu": 0.534, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.3589511155189635, "aff_pf": -0.7862335443496704, "aff_hs": 0.04651982088883718, "repeats_pf": {"runs": 3, "values": [-0.6955, -0.7514, -0.9118], "mean": -0.7862, "spread": 0.2162}, "repeats_hs": {"runs": 3, "values": [-0.0338, 0.0857, 0.0877], "mean": 0.0465, "spread": 0.1215}, "at": 1789555205}, "tier": 1, "alerts": [], "total_sd": 1.173, "total_ci95": [37.663, 42.486], "relegate_reason": [], "submitted_at": 1789526924, "scored_at": 1789555205, "rank": 3151}, {"candidate_id": "ODC-CA3CFA", "res_at": 1788622375, "skeleton": "UDRKYDCRGSNCBN", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-25D]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 39.541, "axes": {"activity": 9.92, "binding": 12.29, "selectivity": 6.55, "admet": 4.46, "novelty": 3.69, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.331}, "binding": {"pIC50": 6.84, "LE": 0.375, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.533, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.564, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.459, "herg": 0.212, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.195395928974242, "aff_pf": -0.8439551393191019, "aff_hs": 0.2218886911869049, "repeats_pf": {"runs": 3, "values": [-0.7806, -0.9356, -0.8157], "mean": -0.844, "spread": 0.155}, "repeats_hs": {"runs": 3, "values": [0.2449, 0.2863, 0.1345], "mean": 0.2219, "spread": 0.1517}, "at": 1788622375}, "tier": 1, "alerts": [], "total_sd": 0.867, "total_ci95": [38.1, 41.367], "relegate_reason": [], "submitted_at": 1788617364, "scored_at": 1788622375, "rank": 3152}, {"candidate_id": "ODC-CC6844", "res_at": 1788963140, "skeleton": "AOCSEOPJHOZRHH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 39.537, "axes": {"activity": 11.23, "binding": 12.43, "selectivity": 6.1, "admet": 4.33, "novelty": 2.42, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 6.87, "LE": 0.392, "potency_term": 0.622, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.622}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.938, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.455, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.675, "herg": 0.076, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 5.273927510677263, "aff_pf": -0.865013837814331, "aff_hs": 0.11641452213128407, "repeats_pf": {"runs": 3, "values": [-0.8362, -0.9284, -0.8305], "mean": -0.865, "spread": 0.0979}, "repeats_hs": {"runs": 3, "values": [0.1042, 0.1251, 0.12], "mean": 0.1164, "spread": 0.0209}, "at": 1788963140}, "tier": 1, "alerts": [], "total_sd": 0.532, "total_ci95": [38.824, 40.873], "relegate_reason": [], "submitted_at": 1788962818, "scored_at": 1788963140, "rank": 3153}, {"candidate_id": "ODC-910718", "res_at": 1787306874, "skeleton": "UNNAOCIDXHOFST", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)cc12", "total": 39.528, "axes": {"activity": 22.13, "binding": 4.74, "selectivity": 1.49, "admet": 2.87, "novelty": 5.36, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 5.928, "fraction": 0.738}, "binding": {"pIC50": 5.99, "LE": 0.216, "potency_term": 0.329, "efficiency_cap": 0.72}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.329}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.483, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.912, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.927512897324802, "aff_pf": 0.011536945899327597, "aff_hs": 0.46399541695912677, "repeats_pf": {"runs": 3, "values": [0.3794, -0.0336, -0.3112], "mean": 0.0115, "spread": 0.6906}, "repeats_hs": {"runs": 3, "values": [0.4995, 0.348, 0.5444], "mean": 0.464, "spread": 0.1964}, "at": 1787306874}, "tier": 1, "relegate_reason": [], "submitted_at": 1787306071, "scored_at": 1787306874, "alerts": [], "rank": 3154}, {"candidate_id": "ODC-898F22", "res_at": 1787125973, "skeleton": "ACCFFUNKXMBBBI", "hf_user": "takutoyo", "display_name": "PfD7-B2", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 39.522, "axes": {"activity": 18.62, "binding": 8.5, "selectivity": 2.47, "admet": 3.37, "novelty": 4.33, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.717, "fraction": 0.621}, "binding": {"pIC50": 6.28, "LE": 0.344, "potency_term": 0.425, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.291, "target_engagement": 0.425}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.367, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.462, "herg": 0.257, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.717040442582895, "aff_pf": -0.27544650932153064, "aff_hs": 0.30582334597905475, "repeats_pf": {"runs": 3, "values": [-0.399, -0.1875, -0.2399], "mean": -0.2754, "spread": 0.2115}, "repeats_hs": {"runs": 3, "values": [0.42, 0.2581, 0.2394], "mean": 0.3058, "spread": 0.1807}, "at": 1787125973}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108223, "scored_at": 1787125973, "alerts": [], "rank": 3155}, {"candidate_id": "ODC-F27983", "res_at": 1789249362, "skeleton": "GEUNBKUUXQRMOL", "hf_user": "Ku-ku", "display_name": "KK-M-0913-323", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 39.504, "axes": {"activity": 17.94, "binding": 11.62, "selectivity": 0.0, "admet": 4.26, "novelty": 4.12, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.676, "fraction": 0.598}, "binding": {"pIC50": 6.74, "LE": 0.33, "potency_term": 0.581, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.581}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.595, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.605, "herg": 0.05, "dili": 0.521}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 4.16}}, "run": {"gpu": "0", "pAct_q10": 5.67630474675636, "aff_pf": -0.7428984840710958, "aff_hs": -1.0039296746253967, "repeats_pf": {"runs": 3, "values": [-0.7386, -0.7159, -0.7742], "mean": -0.7429, "spread": 0.0584}, "repeats_hs": {"runs": 3, "values": [-1.0527, -0.9097, -1.0494], "mean": -1.0039, "spread": 0.1429}, "at": 1789249362}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.091, "total_ci95": [39.324, 39.713], "relegate_reason": [], "submitted_at": 1789235524, "scored_at": 1789249362, "rank": 3156}, {"candidate_id": "ODC-B0100B", "res_at": 1788965481, "skeleton": "TUPKRSDCZFSOQG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 39.499, "axes": {"activity": 10.24, "binding": 13.62, "selectivity": 5.26, "admet": 4.6, "novelty": 2.4, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 5.215, "fraction": 0.341}, "binding": {"pIC50": 7.04, "LE": 0.42, "potency_term": 0.681, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.386, "target_engagement": 0.681}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.782, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.552, "herg": 0.05, "dili": 0.297}}, "novelty": {"max_tanimoto": 0.647, "novelty": 0.353}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 5.214622548782151, "aff_pf": -1.0430204073588054, "aff_hs": -0.2703928202390671, "repeats_pf": {"runs": 3, "values": [-1.1231, -0.9655, -1.0404], "mean": -1.043, "spread": 0.1576}, "repeats_hs": {"runs": 3, "values": [-0.1702, -0.3461, -0.2949], "mean": -0.2704, "spread": 0.1759}, "at": 1788965481}, "tier": 1, "alerts": [], "total_sd": 0.808, "total_ci95": [37.993, 41.092], "relegate_reason": [], "submitted_at": 1788963410, "scored_at": 1788965481, "rank": 3157}, {"candidate_id": "ODC-7C7416", "res_at": 1787317730, "skeleton": "YWEPVRSZSYTULO", "hf_user": "takutoyo", "display_name": "PfD12-12", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1nc··········sc1Cl", "total": 39.496, "axes": {"activity": 20.31, "binding": 6.35, "selectivity": 2.98, "admet": 2.47, "novelty": 4.97, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.818, "fraction": 0.677}, "binding": {"pIC50": 6.04, "LE": 0.276, "potency_term": 0.346, "efficiency_cap": 0.919}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.346}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.562, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.684, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.818331149189133, "aff_pf": -0.03673085446159045, "aff_hs": 0.8253979086875916, "repeats_pf": {"runs": 3, "values": [0.0033, -0.0927, -0.0208], "mean": -0.0367, "spread": 0.096}, "repeats_hs": {"runs": 3, "values": [0.8567, 0.9534, 0.6661], "mean": 0.8254, "spread": 0.2872}, "at": 1787317730}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315774, "scored_at": 1787317730, "alerts": [], "rank": 3158}, {"candidate_id": "ODC-881F38", "res_at": 1787499985, "skeleton": "JTWXIAJMNOUSNI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-GC02]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 39.485, "axes": {"activity": 14.79, "binding": 10.78, "selectivity": 5.52, "admet": 3.55, "novelty": 2.53, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 6.62, "LE": 0.324, "potency_term": 0.539, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.512, "target_engagement": 0.539}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.531, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 0.437, "herg": 0.068, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.531, "novelty": 0.469}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.4874591839431295, "aff_pf": -0.6166699727376302, "aff_hs": 0.40750887989997864, "repeats_pf": {"runs": 3, "values": [-0.6132, -0.6917, -0.5451], "mean": -0.6167, "spread": 0.1466}, "repeats_hs": {"runs": 3, "values": [0.3998, 0.375, 0.4477], "mean": 0.4075, "spread": 0.0727}, "at": 1787499985}, "tier": 1, "relegate_reason": [], "submitted_at": 1787493241, "scored_at": 1787499985, "alerts": [], "rank": 3159}, {"candidate_id": "ODC-576813", "res_at": 1789339778, "skeleton": "JEKCLZVHEXSLCZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Br", "total": 39.485, "axes": {"activity": 13.34, "binding": 10.71, "selectivity": 6.38, "admet": 3.74, "novelty": 2.9, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.4, "fraction": 0.445}, "binding": {"pIC50": 6.61, "LE": 0.394, "potency_term": 0.536, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.494, "herg": 0.169, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.400158501195916, "aff_pf": -0.6067418654759725, "aff_hs": 0.5839240153630575, "repeats_pf": {"runs": 3, "values": [-0.6135, -0.623, -0.5838], "mean": -0.6067, "spread": 0.0392}, "repeats_hs": {"runs": 3, "values": [0.5794, 0.541, 0.6314], "mean": 0.5839, "spread": 0.0904}, "at": 1789339778}, "tier": 1, "alerts": [], "total_sd": 0.249, "total_ci95": [38.991, 39.932], "relegate_reason": [], "submitted_at": 1789328947, "scored_at": 1789339778, "rank": 3160}, {"candidate_id": "ODC-4AFFA9", "res_at": 1786785451, "skeleton": "OGWYEJOGJVXZOG", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.46, "axes": {"activity": 11.47, "binding": 12.87, "selectivity": 5.67, "admet": 4.34, "novelty": 2.37, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 6.93, "LE": 0.38, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.418, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.499, "herg": 0.225, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.2884151482067505, "aff_pf": -0.9305649598439535, "aff_hs": -0.048704897363980613, "repeats_pf": {"runs": 3, "values": [-0.926, -0.991, -0.8747], "mean": -0.9306, "spread": 0.1162}, "repeats_hs": {"runs": 3, "values": [-0.0662, -0.0984, 0.0185], "mean": -0.0487, "spread": 0.1168}, "at": 1786785451}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780867, "scored_at": 1786785451, "alerts": [], "rank": 3161}, {"candidate_id": "ODC-B7418D", "res_at": 1786754642, "skeleton": "NURULECKLUFXNI", "hf_user": "honey90", "display_name": "honey90", "model_name": "OpenAI 5.6 SOL", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(F)c(F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 39.46, "axes": {"activity": 13.71, "binding": 11.92, "selectivity": 5.14, "admet": 4.54, "novelty": 1.31, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.79, "LE": 0.404, "potency_term": 0.596, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.777, "cyp3a4-substrate-carbonmangels": 0.297, "ld50-zhu": 0.232, "herg": 0.598, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.78, "novelty": 0.22}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.422443123393695, "aff_pf": -0.7882249355316162, "aff_hs": 0.07369422912597656, "at": 1786754642}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753739, "scored_at": 1786754642, "alerts": [], "rank": 3162}, {"candidate_id": "ODC-9DCCE4", "res_at": 1787950640, "skeleton": "BNXQVWJSCWMDFL", "hf_user": "Bio-JS", "display_name": "A3 소형 2-메틸 x 옥세탄 + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.459, "axes": {"activity": 11.29, "binding": 11.93, "selectivity": 4.95, "admet": 4.52, "novelty": 4.21, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.277, "fraction": 0.376}, "binding": {"pIC50": 6.79, "LE": 0.388, "potency_term": 0.597, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.597}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.975, "cyp2c9-veith": 0.865, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.458, "herg": 0.05, "dili": 0.964}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.277239274548018, "aff_pf": -0.7898003856341044, "aff_hs": 0.04051090528567632, "repeats_pf": {"runs": 3, "values": [-0.6828, -0.7934, -0.8932], "mean": -0.7898, "spread": 0.2105}, "repeats_hs": {"runs": 3, "values": [0.0169, 0.069, 0.0356], "mean": 0.0405, "spread": 0.0521}, "at": 1787950640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945019, "scored_at": 1787950640, "alerts": [], "rank": 3163}, {"candidate_id": "ODC-43E493", "res_at": 1789912661, "skeleton": "WXTYPZWXMISRMH", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 39.452, "axes": {"activity": 17.72, "binding": 7.55, "selectivity": 4.41, "admet": 3.37, "novelty": 3.96, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.591}, "binding": {"pIC50": 6.4, "LE": 0.243, "potency_term": 0.466, "efficiency_cap": 0.811}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.466}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.317, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.471, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 5.663462250689342, "aff_pf": -0.3966078559557597, "aff_hs": 0.5500479141871134, "repeats_pf": {"runs": 3, "values": [-0.3895, -0.4189, -0.3814], "mean": -0.3966, "spread": 0.0375}, "repeats_hs": {"runs": 3, "values": [0.6604, 0.6053, 0.3844], "mean": 0.55, "spread": 0.276}, "at": 1789912661}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [38.848, 40.064], "relegate_reason": [], "submitted_at": 1789837506, "scored_at": 1789912661, "rank": 3164}, {"candidate_id": "ODC-390E9B", "res_at": 1787325075, "skeleton": "UXMSPORCIUGWRB", "hf_user": "Ku-ku", "display_name": "F_4Br_3OCF3", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.444, "axes": {"activity": 18.68, "binding": 10.35, "selectivity": 1.08, "admet": 3.25, "novelty": 3.36, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 6.55, "LE": 0.333, "potency_term": 0.518, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.518}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.729, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.720768859229606, "aff_pf": -0.553237795829773, "aff_hs": -0.34545421600341797, "repeats_pf": {"runs": 3, "values": [-0.5429, -0.5666, -0.5502], "mean": -0.5532, "spread": 0.0237}, "repeats_hs": {"runs": 3, "values": [-0.372, -0.3842, -0.2801], "mean": -0.3455, "spread": 0.1041}, "at": 1787325075}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322713, "scored_at": 1787325075, "alerts": [], "rank": 3165}, {"candidate_id": "ODC-23FBF0", "res_at": 1787649346, "skeleton": "PQSGJIFISKZOND", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.428, "axes": {"activity": 14.82, "binding": 10.71, "selectivity": 5.46, "admet": 3.54, "novelty": 2.49, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.489, "fraction": 0.494}, "binding": {"pIC50": 6.61, "LE": 0.362, "potency_term": 0.535, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.51, "target_engagement": 0.535}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.591, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.622, "herg": 0.058, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.489027793282057, "aff_pf": -0.6063675085703532, "aff_hs": 0.4141229788462321, "repeats_pf": {"runs": 3, "values": [-0.5478, -0.6143, -0.657], "mean": -0.6064, "spread": 0.1092}, "repeats_hs": {"runs": 3, "values": [0.3897, 0.4533, 0.3994], "mean": 0.4141, "spread": 0.0635}, "at": 1787649346}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643608, "scored_at": 1787649346, "alerts": [], "rank": 3166}, {"candidate_id": "ODC-79651F", "res_at": 1787562382, "skeleton": "FQOKLJFGHQEIQS", "hf_user": "Moonweave", "display_name": "M5AI-WA-S4", "model_name": "OpenAI Codex — private diagnostic", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········C2)s1", "total": 39.411, "axes": {"activity": 13.58, "binding": 10.9, "selectivity": 7.06, "admet": 3.81, "novelty": 1.34, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.415, "fraction": 0.453}, "binding": {"pIC50": 6.64, "LE": 0.379, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.647, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.589, "ld50-zhu": 0.382, "herg": 0.05, "dili": 0.446}}, "novelty": {"max_tanimoto": 0.754, "novelty": 0.246}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 5.414856405757866, "aff_pf": -0.6351743936538696, "aff_hs": 0.6592005292574564, "repeats_pf": {"runs": 3, "values": [-0.7161, -0.6735, -0.5159], "mean": -0.6352, "spread": 0.2001}, "repeats_hs": {"runs": 3, "values": [0.601, 0.6428, 0.7338], "mean": 0.6592, "spread": 0.1328}, "at": 1787562382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787553382, "scored_at": 1787562382, "alerts": [], "rank": 3167}, {"candidate_id": "ODC-505E0F", "res_at": 1787567622, "skeleton": "FDPKGVQOGPZVMR", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.396, "axes": {"activity": 19.8, "binding": 7.86, "selectivity": 1.74, "admet": 2.77, "novelty": 4.4, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.788, "fraction": 0.66}, "binding": {"pIC50": 6.54, "LE": 0.23, "potency_term": 0.513, "efficiency_cap": 0.766}, "selectivity": {"fold": 2.2, "selectivity_term": 0.17, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.485, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.383, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.788258508445634, "aff_pf": -0.5391239126523336, "aff_hs": -0.19950556755065918, "repeats_pf": {"runs": 3, "values": [-0.5153, -0.6514, -0.4508], "mean": -0.5391, "spread": 0.2006}, "repeats_hs": {"runs": 3, "values": [-0.2386, -0.2132, -0.1467], "mean": -0.1995, "spread": 0.0919}, "at": 1787567622}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557324, "scored_at": 1787567622, "alerts": [], "rank": 3168}, {"candidate_id": "ODC-04F9AC", "res_at": 1788061262, "skeleton": "LLGKLLCCLOLYGJ", "hf_user": "Bio-JS", "display_name": "02 A2 오쏘 2-Me", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)n2n1", "total": 39.386, "axes": {"activity": 15.85, "binding": 10.72, "selectivity": 4.22, "admet": 2.53, "novelty": 3.92, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.551, "fraction": 0.528}, "binding": {"pIC50": 6.85, "LE": 0.261, "potency_term": 0.617, "efficiency_cap": 0.869}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.551112917777325, "aff_pf": -0.8507422606150309, "aff_hs": -0.1661339451869329, "repeats_pf": {"runs": 3, "values": [-0.7372, -0.8638, -0.9512], "mean": -0.8507, "spread": 0.214}, "repeats_hs": {"runs": 3, "values": [-0.0761, -0.2353, -0.187], "mean": -0.1661, "spread": 0.1592}, "at": 1788061262}, "tier": 1, "alerts": [], "total_sd": 1.057, "total_ci95": [37.521, 41.511], "relegate_reason": [], "submitted_at": 1788017279, "scored_at": 1788061262, "rank": 3169}, {"candidate_id": "ODC-D61D93", "res_at": 1786977550, "skeleton": "WJPWAONFBBUQRO", "hf_user": "takutoyo", "display_name": "PfD3-12", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 39.378, "axes": {"activity": 21.49, "binding": 5.08, "selectivity": 2.64, "admet": 3.1, "novelty": 4.09, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.89, "fraction": 0.716}, "binding": {"pIC50": 5.9, "LE": 0.253, "potency_term": 0.301, "efficiency_cap": 0.842}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.301}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.139, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.666, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.889582404806345, "aff_pf": 0.09642304976781209, "aff_hs": 0.9724442362785339, "repeats_pf": {"runs": 3, "values": [0.1063, 0.046, 0.137], "mean": 0.0964, "spread": 0.091}, "repeats_hs": {"runs": 3, "values": [0.8429, 1.1218, 0.9526], "mean": 0.9724, "spread": 0.2789}, "at": 1786977550}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975802, "scored_at": 1786977550, "alerts": [], "rank": 3170}, {"candidate_id": "ODC-371FBE", "res_at": 1786987523, "skeleton": "FEDMCKXDWHEIPU", "hf_user": "1Dmeds", "display_name": "ODC26-R7D-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········ccc1I", "total": 39.374, "axes": {"activity": 8.85, "binding": 14.27, "selectivity": 4.82, "admet": 4.08, "novelty": 4.3, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 7.14, "LE": 0.425, "potency_term": 0.714, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.829, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.398, "herg": 0.079, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.130904861564676, "aff_pf": -1.140602429707845, "aff_hs": -0.46500174204508465, "repeats_pf": {"runs": 3, "values": [-1.1479, -1.2072, -1.0667], "mean": -1.1406, "spread": 0.1405}, "repeats_hs": {"runs": 3, "values": [-0.4471, -0.5155, -0.4325], "mean": -0.465, "spread": 0.083}, "at": 1786987523}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980961, "scored_at": 1786987523, "alerts": [], "rank": 3171}, {"candidate_id": "ODC-0304A5", "res_at": 1789263079, "skeleton": "IRIRXLGIVMVGFK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSCc1nc··········)n2n1", "total": 39.355, "axes": {"activity": 11.91, "binding": 12.3, "selectivity": 5.29, "admet": 4.33, "novelty": 2.83, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.397}, "binding": {"pIC50": 6.85, "LE": 0.375, "potency_term": 0.615, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.195, "ld50-zhu": 0.476, "herg": 0.241, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.314429509647782, "aff_pf": -0.8455413977305094, "aff_hs": 0.013836840788523356, "repeats_pf": {"runs": 3, "values": [-0.8299, -0.8273, -0.8793], "mean": -0.8455, "spread": 0.052}, "repeats_hs": {"runs": 3, "values": [0.009, 0.0467, -0.0141], "mean": 0.0138, "spread": 0.0608}, "at": 1789263079}, "tier": 1, "alerts": [], "total_sd": 0.303, "total_ci95": [38.886, 40.069], "relegate_reason": [], "submitted_at": 1789262596, "scored_at": 1789263079, "rank": 3172}, {"candidate_id": "ODC-F60ABE", "res_at": 1789208786, "skeleton": "KZKGCLVFIPSGFD", "hf_user": "Bio-JS", "display_name": "0912-S1-x2CCS_anilOCHF2Cl", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 39.353, "axes": {"activity": 12.78, "binding": 12.65, "selectivity": 3.72, "admet": 3.55, "novelty": 3.75, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 6.9, "LE": 0.378, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.294, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.084, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.991, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.591, "ld50-zhu": 0.666, "herg": 0.186, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.366831534526743, "aff_pf": -0.8969698349634806, "aff_hs": -0.30931804080804187, "repeats_pf": {"runs": 3, "values": [-0.9365, -0.8878, -0.8666], "mean": -0.897, "spread": 0.0699}, "repeats_hs": {"runs": 3, "values": [-0.1287, -0.6382, -0.1611], "mean": -0.3093, "spread": 0.5095}, "at": 1789208786}, "tier": 1, "alerts": [], "total_sd": 0.903, "total_ci95": [37.749, 40.846], "relegate_reason": [], "submitted_at": 1789177547, "scored_at": 1789208786, "rank": 3173}, {"candidate_id": "ODC-914D03", "res_at": 1789191216, "skeleton": "JXVZLECKYWEHCO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.347, "axes": {"activity": 13.84, "binding": 11.24, "selectivity": 6.31, "admet": 3.39, "novelty": 1.87, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 6.69, "LE": 0.398, "potency_term": 0.562, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.561, "target_engagement": 0.562}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.446, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.430291984772517, "aff_pf": -0.6858946084976196, "aff_hs": 0.43633604049682617, "repeats_pf": {"runs": 3, "values": [-0.6996, -0.6299, -0.7281], "mean": -0.6859, "spread": 0.0982}, "repeats_hs": {"runs": 3, "values": [0.4429, 0.4118, 0.4543], "mean": 0.4363, "spread": 0.0426}, "at": 1789191216}, "tier": 1, "alerts": [], "total_sd": 0.477, "total_ci95": [38.293, 40.088], "relegate_reason": [], "submitted_at": 1789174927, "scored_at": 1789191216, "rank": 3174}, {"candidate_id": "ODC-A401DC", "res_at": 1787167648, "skeleton": "LUWPPJVCALOBKH", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc2[nH]cnc2cc1-c1ccc(S(=O)(=O)NCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1", "smiles_masked": null, "total": 39.343, "axes": {"activity": 18.14, "binding": 9.63, "selectivity": 2.77, "admet": 2.24, "novelty": 3.54, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.688, "fraction": 0.605}, "binding": {"pIC50": 6.77, "LE": 0.244, "potency_term": 0.592, "efficiency_cap": 0.814}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 5.688314164814624, "aff_pf": -0.7747292915980021, "aff_hs": -0.3067883253097534, "repeats_pf": {"runs": 3, "values": [-0.9176, -0.507, -0.8995], "mean": -0.7747, "spread": 0.4106}, "repeats_hs": {"runs": 3, "values": [-0.4061, -0.1656, -0.3486], "mean": -0.3068, "spread": 0.2405}, "at": 1787167648}, "tier": 1, "relegate_reason": [], "submitted_at": 1787161113, "scored_at": 1787167648, "alerts": [], "rank": 3175}, {"candidate_id": "ODC-73236E", "res_at": 1788545737, "skeleton": "VLUCXPDTWDLJRX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.339, "axes": {"activity": 11.41, "binding": 13.6, "selectivity": 5.6, "admet": 5.34, "novelty": 0.0, "synthesis": 3.38}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.38}, "binding": {"pIC50": 7.04, "LE": 0.419, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.412, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.606, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.443, "herg": 0.492, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.28488013073025, "aff_pf": -1.040517807006836, "aff_hs": -0.21723259488741556, "repeats_pf": {"runs": 3, "values": [-1.0141, -1.0573, -1.0501], "mean": -1.0405, "spread": 0.0432}, "repeats_hs": {"runs": 3, "values": [-0.2999, -0.1996, -0.1522], "mean": -0.2172, "spread": 0.1476}, "at": 1788545737}, "tier": 1, "alerts": [], "total_sd": 0.363, "total_ci95": [38.534, 39.971], "relegate_reason": [], "submitted_at": 1788495805, "scored_at": 1788545737, "rank": 3176}, {"candidate_id": "ODC-ADDD33", "res_at": 1789618774, "skeleton": "WTPKEPSYSNCGMW", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 39.328, "axes": {"activity": 14.06, "binding": 10.87, "selectivity": 5.59, "admet": 3.61, "novelty": 3.83, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 6.79, "LE": 0.274, "potency_term": 0.596, "efficiency_cap": 0.912}, "selectivity": {"fold": 8.7, "selectivity_term": 0.469, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 0.378, "hia-hou": 0.991, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.877, "cyp2c9-veith": 0.22, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "0", "pAct_q10": 5.443785390331412, "aff_pf": -0.7878783543904623, "aff_hs": 0.15077355007330576, "repeats_pf": {"runs": 3, "values": [-0.7525, -0.8255, -0.7856], "mean": -0.7879, "spread": 0.073}, "repeats_hs": {"runs": 3, "values": [0.2352, 0.2121, 0.0049], "mean": 0.1508, "spread": 0.2303}, "at": 1789618774}, "tier": 1, "alerts": [], "total_sd": 0.522, "total_ci95": [38.32, 40.353], "relegate_reason": [], "submitted_at": 1789617682, "scored_at": 1789618774, "rank": 3177}, {"candidate_id": "ODC-02AF92", "res_at": 1786871342, "skeleton": "PYJLCMGDEDYYCK", "hf_user": "DOATC", "display_name": "SOL_OPENAI_RETAKE_03", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.297, "axes": {"activity": 10.8, "binding": 13.23, "selectivity": 6.01, "admet": 4.03, "novelty": 1.99, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 6.99, "LE": 0.435, "potency_term": 0.662, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.97, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.219, "ld50-zhu": 0.503, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "2", "pAct_q10": 5.248237046724514, "aff_pf": -0.9851855238278707, "aff_hs": -0.07691429058710735, "repeats_pf": {"runs": 3, "values": [-0.9549, -0.8439, -1.1567], "mean": -0.9852, "spread": 0.3128}, "repeats_hs": {"runs": 3, "values": [-0.1449, -0.0475, -0.0384], "mean": -0.0769, "spread": 0.1065}, "at": 1786871342}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865168, "scored_at": 1786871342, "alerts": [], "rank": 3178}, {"candidate_id": "ODC-61AEA9", "res_at": 1787253943, "skeleton": "CZDDAFGYUSVIJE", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 39.277, "axes": {"activity": 19.25, "binding": 6.44, "selectivity": 3.95, "admet": 2.62, "novelty": 4.08, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.755, "fraction": 0.642}, "binding": {"pIC50": 6.14, "LE": 0.255, "potency_term": 0.379, "efficiency_cap": 0.849}, "selectivity": {"fold": 11.0, "selectivity_term": 0.521, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.755217423584975, "aff_pf": -0.1369000058621168, "aff_hs": 0.9058775305747986, "repeats_pf": {"runs": 3, "values": [-0.2331, 0.0265, -0.2041], "mean": -0.1369, "spread": 0.2597}, "repeats_hs": {"runs": 3, "values": [0.9381, 1.0437, 0.7358], "mean": 0.9059, "spread": 0.3079}, "at": 1787253943}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246781, "scored_at": 1787253943, "alerts": [], "rank": 3179}, {"candidate_id": "ODC-F24615", "res_at": 1789239011, "skeleton": "QVXSHYOWBMOZPP", "hf_user": "Bio-JS", "display_name": "0913-S1-div18", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.267, "axes": {"activity": 11.56, "binding": 11.04, "selectivity": 8.72, "admet": 3.75, "novelty": 1.61, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 6.66, "LE": 0.434, "potency_term": 0.552, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.1, "selectivity_term": 0.79, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.054, "ld50-zhu": 0.365, "herg": 0.868, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.708, "novelty": 0.292}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.293314502049575, "aff_pf": -0.6556697289148966, "aff_hs": 0.9247961441675822, "repeats_pf": {"runs": 3, "values": [-0.6998, -0.6187, -0.6485], "mean": -0.6557, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [1.0421, 0.9211, 0.8112], "mean": 0.9248, "spread": 0.2309}, "at": 1789239011}, "tier": 1, "alerts": [], "total_sd": 0.532, "total_ci95": [38.25, 40.302], "relegate_reason": [], "submitted_at": 1789226350, "scored_at": 1789239011, "rank": 3180}, {"candidate_id": "ODC-5E54C1", "res_at": 1787265313, "skeleton": "WKRCWVLNMMNEBW", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.235, "axes": {"activity": 19.77, "binding": 7.79, "selectivity": 1.33, "admet": 3.19, "novelty": 4.37, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.786, "fraction": 0.659}, "binding": {"pIC50": 6.43, "LE": 0.245, "potency_term": 0.477, "efficiency_cap": 0.816}, "selectivity": {"fold": 1.9, "selectivity_term": 0.14, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.73, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.786340696886493, "aff_pf": -0.4323976735273997, "aff_hs": -0.15324134627978006, "repeats_pf": {"runs": 3, "values": [-0.4675, -0.2667, -0.563], "mean": -0.4324, "spread": 0.2963}, "repeats_hs": {"runs": 3, "values": [-0.2634, 0.059, -0.2552], "mean": -0.1532, "spread": 0.3224}, "at": 1787265313}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264736, "scored_at": 1787265313, "alerts": [], "rank": 3181}, {"candidate_id": "ODC-DD8243", "res_at": 1789875959, "skeleton": "BFZFKEGKCFFEBC", "hf_user": "Bio-JS", "display_name": "0917-S1-div11", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 39.228, "axes": {"activity": 22.53, "binding": 2.9, "selectivity": 0.0, "admet": 5.88, "novelty": 4.74, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.952, "fraction": 0.751}, "binding": {"pIC50": 5.44, "LE": 0.298, "potency_term": 0.146, "efficiency_cap": 0.993}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.146}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.382, "ld50-zhu": 0.443, "herg": 0.712, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.951507888981467, "aff_pf": 0.5618984500567118, "aff_hs": 0.5081522464752197, "repeats_pf": {"runs": 3, "values": [0.5444, 0.6155, 0.5258], "mean": 0.5619, "spread": 0.0897}, "repeats_hs": {"runs": 3, "values": [0.5582, 0.4795, 0.4868], "mean": 0.5082, "spread": 0.0787}, "at": 1789875959}, "tier": 1, "alerts": [], "total_sd": 0.16, "total_ci95": [38.848, 39.488], "relegate_reason": [], "submitted_at": 1789628589, "scored_at": 1789875959, "rank": 3182}, {"candidate_id": "ODC-6CCC58", "res_at": 1789626505, "skeleton": "DXHUWSLHNQOVKW", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 39.2, "axes": {"activity": 14.27, "binding": 11.54, "selectivity": 4.27, "admet": 3.58, "novelty": 4.07, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.476}, "binding": {"pIC50": 6.83, "LE": 0.284, "potency_term": 0.61, "efficiency_cap": 0.945}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.61}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.332, "hia-hou": 0.933, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.64, "cyp2c9-veith": 0.228, "cyp3a4-substrate-carbonmangels": 0.909, "ld50-zhu": 0.7, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 4.21}}, "run": {"gpu": "0", "pAct_q10": 5.455993652792789, "aff_pf": -0.8306952913602194, "aff_hs": -0.13103683292865753, "repeats_pf": {"runs": 3, "values": [-0.6942, -0.983, -0.8149], "mean": -0.8307, "spread": 0.2888}, "repeats_hs": {"runs": 3, "values": [-0.1307, -0.2595, -0.0029], "mean": -0.131, "spread": 0.2566}, "at": 1789626505}, "tier": 1, "alerts": [], "total_sd": 1.6, "total_ci95": [36.671, 42.782], "relegate_reason": [], "submitted_at": 1789624195, "scored_at": 1789626505, "rank": 3183}, {"candidate_id": "ODC-FC0B8B", "res_at": 1788334389, "skeleton": "XMPMVYZJYZBLGL", "hf_user": "Bio-JS", "display_name": "0902C-S1-EA6", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.166, "axes": {"activity": 19.78, "binding": 7.65, "selectivity": 1.9, "admet": 2.65, "novelty": 4.4, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.787, "fraction": 0.659}, "binding": {"pIC50": 6.41, "LE": 0.244, "potency_term": 0.471, "efficiency_cap": 0.813}, "selectivity": {"fold": 2.5, "selectivity_term": 0.202, "target_engagement": 0.471}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.421, "hia-hou": 1.0, "bioavailability-ma": 0.487, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.418, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.358}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.786923839187044, "aff_pf": -0.41162116328875226, "aff_hs": -0.008400305484731993, "repeats_pf": {"runs": 3, "values": [-0.4271, -0.4444, -0.3634], "mean": -0.4116, "spread": 0.081}, "repeats_hs": {"runs": 3, "values": [0.0203, -0.1604, 0.115], "mean": -0.0084, "spread": 0.2754}, "at": 1788334389}, "tier": 1, "alerts": [], "total_sd": 0.392, "total_ci95": [38.403, 39.875], "relegate_reason": [], "submitted_at": 1788327468, "scored_at": 1788334389, "rank": 3184}, {"candidate_id": "ODC-89CB14", "res_at": 1786860482, "skeleton": "ZJZAKVSRKZTFJL", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.161, "axes": {"activity": 13.42, "binding": 12.53, "selectivity": 5.84, "admet": 4.48, "novelty": 0.0, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 6.88, "LE": 0.393, "potency_term": 0.627, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.466, "target_engagement": 0.627}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.479, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.08, "ld50-zhu": 0.528, "herg": 0.05, "dili": 0.253}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.404960545522958, "aff_pf": -0.8800256450970968, "aff_hs": 0.05189942320187887, "repeats_pf": {"runs": 3, "values": [-0.8884, -0.9112, -0.8406], "mean": -0.88, "spread": 0.0706}, "repeats_hs": {"runs": 3, "values": [0.0459, 0.0822, 0.0276], "mean": 0.0519, "spread": 0.0546}, "at": 1786860482}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850238, "scored_at": 1786860482, "alerts": [], "rank": 3185}, {"candidate_id": "ODC-3E2056", "res_at": 1789119956, "skeleton": "QXFPTFSOUKUBRE", "hf_user": "Bio-JS", "display_name": "0911-S1-2pos_CSC", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSCc1nc··········)n2n1", "total": 39.159, "axes": {"activity": 8.09, "binding": 12.0, "selectivity": 9.26, "admet": 3.75, "novelty": 3.64, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.085, "fraction": 0.27}, "binding": {"pIC50": 6.8, "LE": 0.373, "potency_term": 0.6, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.9, "selectivity_term": 0.772, "target_engagement": 0.6}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.755, "cyp2c9-veith": 0.225, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.499, "herg": 0.29, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.085201704628452, "aff_pf": -0.7993597984313965, "aff_hs": 0.7437564730644226, "repeats_pf": {"runs": 3, "values": [-0.8467, -0.8513, -0.7001], "mean": -0.7994, "spread": 0.1512}, "repeats_hs": {"runs": 3, "values": [0.6897, 0.7802, 0.7614], "mean": 0.7438, "spread": 0.0905}, "at": 1789119956}, "tier": 1, "alerts": [], "total_sd": 0.952, "total_ci95": [37.053, 40.526], "relegate_reason": [], "submitted_at": 1789117036, "scored_at": 1789119956, "rank": 3186}, {"candidate_id": "ODC-3719D2", "res_at": 1789910351, "skeleton": "PPAADPGVDSRKCG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 39.157, "axes": {"activity": 13.31, "binding": 13.11, "selectivity": 1.98, "admet": 4.86, "novelty": 2.9, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.399, "fraction": 0.444}, "binding": {"pIC50": 6.97, "LE": 0.398, "potency_term": 0.655, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.151, "target_engagement": 0.655}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.527, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.276, "herg": 0.432, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.3987065902011, "aff_pf": -0.9664867520332336, "aff_hs": -0.6642823616663615, "repeats_pf": {"runs": 3, "values": [-0.9784, -0.9573, -0.9638], "mean": -0.9665, "spread": 0.0212}, "repeats_hs": {"runs": 3, "values": [-0.5968, -0.7012, -0.6949], "mean": -0.6643, "spread": 0.1044}, "at": 1789910351}, "tier": 1, "alerts": [], "total_sd": 0.203, "total_ci95": [38.806, 39.525], "relegate_reason": [], "submitted_at": 1789829709, "scored_at": 1789910351, "rank": 3187}, {"candidate_id": "ODC-61F245", "res_at": 1786983215, "skeleton": "XMAUVGVTSWXBHQ", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 39.143, "axes": {"activity": 16.65, "binding": 7.85, "selectivity": 4.58, "admet": 4.46, "novelty": 3.14, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 6.18, "LE": 0.353, "potency_term": 0.392, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.7, "selectivity_term": 0.584, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.946, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.565, "cyp3a4-substrate-carbonmangels": 0.1, "ld50-zhu": 0.535, "herg": 0.945, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.598781772599751, "aff_pf": -0.1772422343492508, "aff_hs": 0.9902057647705078, "repeats_pf": {"runs": 3, "values": [-0.0543, -0.3177, -0.1598], "mean": -0.1772, "spread": 0.2634}, "repeats_hs": {"runs": 3, "values": [0.9707, 0.9088, 1.0911], "mean": 0.9902, "spread": 0.1824}, "at": 1786983215}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979563, "scored_at": 1786983215, "alerts": [], "rank": 3188}, {"candidate_id": "ODC-9317BB", "res_at": 1787732873, "skeleton": "CTNTZPKGOHPXKC", "hf_user": "1Dmeds", "display_name": "ODC26-M40-R5H-YCl", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 39.137, "axes": {"activity": 23.1, "binding": 3.87, "selectivity": 0.0, "admet": 3.41, "novelty": 5.45, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.986, "fraction": 0.77}, "binding": {"pIC50": 5.71, "LE": 0.245, "potency_term": 0.237, "efficiency_cap": 0.815}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.237}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.46, "hia-hou": 1.0, "bioavailability-ma": 0.968, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.607, "herg": 0.204, "dili": 0.259}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.985993204676934, "aff_pf": 0.28794435660044354, "aff_hs": -0.5685002207756042, "repeats_pf": {"runs": 3, "values": [0.2553, 0.2133, 0.3952], "mean": 0.2879, "spread": 0.1818}, "repeats_hs": {"runs": 3, "values": [-0.6238, -0.7839, -0.2978], "mean": -0.5685, "spread": 0.4862}, "at": 1787732873}, "tier": 1, "relegate_reason": [], "submitted_at": 1787728394, "scored_at": 1787732873, "alerts": [], "rank": 3189}, {"candidate_id": "ODC-E81A3F", "res_at": 1789267346, "skeleton": "RSUMAIVCHRMKEN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 39.137, "axes": {"activity": 16.08, "binding": 8.6, "selectivity": 4.89, "admet": 4.1, "novelty": 2.98, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 6.29, "LE": 0.345, "potency_term": 0.43, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.43}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.412, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.56488385325468, "aff_pf": -0.290445476770401, "aff_hs": 0.8459683060646057, "repeats_pf": {"runs": 3, "values": [-0.336, -0.2853, -0.25], "mean": -0.2904, "spread": 0.086}, "repeats_hs": {"runs": 3, "values": [0.8576, 0.8329, 0.8473], "mean": 0.846, "spread": 0.0247}, "at": 1789267346}, "tier": 1, "alerts": [], "total_sd": 0.317, "total_ci95": [38.56, 39.816], "relegate_reason": [], "submitted_at": 1789263508, "scored_at": 1789267346, "rank": 3190}, {"candidate_id": "ODC-2C3903", "res_at": 1786867108, "skeleton": "GADJDTGVDHSKHV", "hf_user": "scala39", "display_name": "Scala", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.136, "axes": {"activity": 11.67, "binding": 13.09, "selectivity": 4.59, "admet": 4.01, "novelty": 2.76, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 6.96, "LE": 0.397, "potency_term": 0.654, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.654}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.300394446503269, "aff_pf": -0.9630316893259684, "aff_hs": -0.26100149750709534, "repeats_pf": {"runs": 3, "values": [-0.9915, -0.9622, -0.9354], "mean": -0.963, "spread": 0.056}, "repeats_hs": {"runs": 3, "values": [-0.2669, -0.2187, -0.2975], "mean": -0.261, "spread": 0.0788}, "at": 1786867108}, "tier": 1, "relegate_reason": [], "submitted_at": 1786860937, "scored_at": 1786867108, "alerts": [], "rank": 3191}, {"candidate_id": "ODC-2571FB", "res_at": 1787565070, "skeleton": "RDBAKYOXPSEVCJ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 39.133, "axes": {"activity": 17.9, "binding": 7.74, "selectivity": 1.39, "admet": 5.69, "novelty": 4.44, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.674, "fraction": 0.597}, "binding": {"pIC50": 6.19, "LE": 0.292, "potency_term": 0.397, "efficiency_cap": 0.975}, "selectivity": {"fold": 2.2, "selectivity_term": 0.175, "target_engagement": 0.397}, "admet": {"geometric_mean": 0.636, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.958, "cyp2c9-veith": 0.971, "cyp3a4-substrate-carbonmangels": 0.308, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.674273922049523, "aff_pf": -0.1915474236011505, "aff_hs": 0.15748619039853415, "repeats_pf": {"runs": 3, "values": [-0.2225, -0.2224, -0.1298], "mean": -0.1915, "spread": 0.0927}, "repeats_hs": {"runs": 3, "values": [0.1534, 0.1717, 0.1473], "mean": 0.1575, "spread": 0.0244}, "at": 1787565070}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556928, "scored_at": 1787565070, "alerts": [], "rank": 3192}, {"candidate_id": "ODC-08E1DC", "res_at": 1788132451, "skeleton": "ZNDPCXQJQPXKBN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 39.131, "axes": {"activity": 16.85, "binding": 9.37, "selectivity": 4.93, "admet": 2.14, "novelty": 3.08, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.611, "fraction": 0.562}, "binding": {"pIC50": 6.41, "LE": 0.303, "potency_term": 0.468, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.468}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.611082210644921, "aff_pf": -0.40546858310699463, "aff_hs": 0.6467095216115316, "repeats_pf": {"runs": 3, "values": [-0.3694, -0.4284, -0.4186], "mean": -0.4055, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [0.6898, 0.5798, 0.6705], "mean": 0.6467, "spread": 0.11}, "at": 1788132451}, "tier": 1, "alerts": [], "total_sd": 0.272, "total_ci95": [38.57, 39.568], "relegate_reason": [], "submitted_at": 1788132267, "scored_at": 1788132451, "rank": 3193}, {"candidate_id": "ODC-5505B0", "res_at": 1789879004, "skeleton": "WKOKMFSELICQEB", "hf_user": "Bio-JS", "display_name": "0917-S1-div19", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 39.129, "axes": {"activity": 18.2, "binding": 8.45, "selectivity": 2.41, "admet": 4.19, "novelty": 3.27, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.692, "fraction": 0.607}, "binding": {"pIC50": 6.27, "LE": 0.33, "potency_term": 0.423, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.423}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.524, "herg": 0.09, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.691891537553012, "aff_pf": -0.26759786407152814, "aff_hs": 0.30235076944033307, "repeats_pf": {"runs": 3, "values": [-0.314, -0.0719, -0.417], "mean": -0.2676, "spread": 0.3451}, "repeats_hs": {"runs": 3, "values": [0.2665, 0.2818, 0.3588], "mean": 0.3024, "spread": 0.0923}, "at": 1789879004}, "tier": 1, "alerts": [], "total_sd": 1.123, "total_ci95": [36.863, 41.09], "relegate_reason": [], "submitted_at": 1789628625, "scored_at": 1789879004, "rank": 3194}, {"candidate_id": "ODC-2B46B7", "res_at": 1789572611, "skeleton": "LNCHFVGRMMWPOG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 39.124, "axes": {"activity": 11.81, "binding": 11.38, "selectivity": 6.38, "admet": 3.58, "novelty": 3.69, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 6.71, "LE": 0.317, "potency_term": 0.569, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.2, "selectivity_term": 0.56, "target_engagement": 0.569}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.544, "ld50-zhu": 0.67, "herg": 0.114, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.308880477965723, "aff_pf": -0.7071452339490255, "aff_hs": 0.4136475721995036, "repeats_pf": {"runs": 3, "values": [-0.7062, -0.6162, -0.7991], "mean": -0.7071, "spread": 0.1829}, "repeats_hs": {"runs": 3, "values": [0.3671, 0.5133, 0.3605], "mean": 0.4136, "spread": 0.1528}, "at": 1789572611}, "tier": 1, "alerts": [], "total_sd": 0.942, "total_ci95": [37.179, 40.759], "relegate_reason": [], "submitted_at": 1789571822, "scored_at": 1789572611, "rank": 3195}, {"candidate_id": "ODC-CB9F76", "res_at": 1789121527, "skeleton": "GXEUGPVBSGNVTK", "hf_user": "Bio-JS", "display_name": "0911-S1-x_CCS_a", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 39.121, "axes": {"activity": 13.03, "binding": 10.68, "selectivity": 5.71, "admet": 4.2, "novelty": 3.19, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 6.6, "LE": 0.377, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.572, "cyp3a4-substrate-carbonmangels": 0.228, "ld50-zhu": 0.427, "herg": 0.624, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.381576088620868, "aff_pf": -0.6015089551607767, "aff_hs": 0.46730660398801166, "repeats_pf": {"runs": 3, "values": [-0.6547, -0.5648, -0.5851], "mean": -0.6015, "spread": 0.0899}, "repeats_hs": {"runs": 3, "values": [0.3135, 0.5873, 0.5011], "mean": 0.4673, "spread": 0.2738}, "at": 1789121527}, "tier": 1, "alerts": [], "total_sd": 0.628, "total_ci95": [37.855, 40.425], "relegate_reason": [], "submitted_at": 1789117069, "scored_at": 1789121527, "rank": 3196}, {"candidate_id": "ODC-014286", "res_at": 1786932776, "skeleton": "YUXCIXQCXBMOBR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 39.12, "axes": {"activity": 17.74, "binding": 8.2, "selectivity": 3.96, "admet": 2.71, "novelty": 3.78, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.664, "fraction": 0.591}, "binding": {"pIC50": 6.29, "LE": 0.287, "potency_term": 0.428, "efficiency_cap": 0.957}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.099, "cyp2c9-veith": 0.595, "cyp3a4-substrate-carbonmangels": 0.389, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.664191718040006, "aff_pf": -0.28536027669906616, "aff_hs": 0.6394142905871073, "repeats_pf": {"runs": 3, "values": [-0.2678, -0.3288, -0.2596], "mean": -0.2854, "spread": 0.0692}, "repeats_hs": {"runs": 3, "values": [0.63, 0.6761, 0.612], "mean": 0.6394, "spread": 0.0641}, "at": 1786932776}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925688, "scored_at": 1786932776, "alerts": [], "rank": 3197}, {"candidate_id": "ODC-C36A36", "res_at": 1788262932, "skeleton": "KZPKQNDPWBSYNN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1CC1O··········2)cc1", "total": 39.116, "axes": {"activity": 16.44, "binding": 9.98, "selectivity": 4.77, "admet": 2.42, "novelty": 3.51, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 6.9, "LE": 0.236, "potency_term": 0.633, "efficiency_cap": 0.788}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.633}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.824, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.249}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 5.586244028354185, "aff_pf": -0.900490919748942, "aff_hs": -0.14686019470294318, "repeats_pf": {"runs": 3, "values": [-0.8773, -0.9196, -0.9045], "mean": -0.9005, "spread": 0.0423}, "repeats_hs": {"runs": 3, "values": [0.4325, -0.1047, -0.7684], "mean": -0.1469, "spread": 1.2009}, "at": 1788262932}, "tier": 1, "alerts": [], "total_sd": 1.737, "total_ci95": [36.38, 42.785], "relegate_reason": [], "submitted_at": 1788231031, "scored_at": 1788262932, "rank": 3198}, {"candidate_id": "ODC-64114E", "res_at": 1787272438, "skeleton": "JVYVLTIAENEDCS", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R04", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 39.111, "axes": {"activity": 20.54, "binding": 5.38, "selectivity": 2.09, "admet": 3.29, "novelty": 4.48, "synthesis": 3.32}, "detail": {"activity": {"pAct_q10": 5.833, "fraction": 0.685}, "binding": {"pIC50": 5.98, "LE": 0.248, "potency_term": 0.325, "efficiency_cap": 0.827}, "selectivity": {"fold": 4.4, "selectivity_term": 0.321, "target_engagement": 0.325}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.301}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.832681493084366, "aff_pf": 0.023639053106307983, "aff_hs": 0.6664304137229919, "repeats_pf": {"runs": 3, "values": [-0.0072, 0.047, 0.0312], "mean": 0.0236, "spread": 0.0542}, "repeats_hs": {"runs": 3, "values": [0.6176, 0.6742, 0.7074], "mean": 0.6664, "spread": 0.0898}, "at": 1787272438}, "tier": 1, "relegate_reason": [], "submitted_at": 1787270776, "scored_at": 1787272438, "alerts": [], "rank": 3199}, {"candidate_id": "ODC-6DBFA9", "res_at": 1789568157, "skeleton": "UCYUZGSDEQNENU", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········)(F)F", "total": 39.104, "axes": {"activity": 17.35, "binding": 11.34, "selectivity": 1.25, "admet": 3.68, "novelty": 4.05, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.641, "fraction": 0.578}, "binding": {"pIC50": 6.81, "LE": 0.283, "potency_term": 0.602, "efficiency_cap": 0.942}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.652, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 4.26}}, "run": {"gpu": "0", "pAct_q10": 5.64091622717119, "aff_pf": -0.8061468601226807, "aff_hs": -0.5986388921737671, "repeats_pf": {"runs": 3, "values": [-0.7304, -0.9384, -0.7496], "mean": -0.8061, "spread": 0.208}, "repeats_hs": {"runs": 3, "values": [-0.6483, -0.5616, -0.586], "mean": -0.5986, "spread": 0.0868}, "at": 1789568157}, "tier": 1, "alerts": [], "total_sd": 1.005, "total_ci95": [37.94, 41.837], "relegate_reason": [], "submitted_at": 1789567253, "scored_at": 1789568157, "rank": 3200}, {"candidate_id": "ODC-C8CD84", "res_at": 1787560789, "skeleton": "AFBZIGJAYPFIOX", "hf_user": "Moonweave", "display_name": "M5AI-WA-S1", "model_name": "OpenAI Codex — private diagnostic", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 39.092, "axes": {"activity": 13.91, "binding": 11.88, "selectivity": 5.21, "admet": 4.41, "novelty": 1.51, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.434, "fraction": 0.464}, "binding": {"pIC50": 6.78, "LE": 0.332, "potency_term": 0.594, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.745, "novelty": 0.255}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.434441719467131, "aff_pf": -0.7822919289271036, "aff_hs": 0.09423492352167766, "repeats_pf": {"runs": 3, "values": [-0.7513, -0.8479, -0.7477], "mean": -0.7823, "spread": 0.1003}, "repeats_hs": {"runs": 3, "values": [0.0832, 0.0342, 0.1653], "mean": 0.0942, "spread": 0.1311}, "at": 1787560789}, "tier": 1, "relegate_reason": [], "submitted_at": 1787551902, "scored_at": 1787560789, "alerts": [], "rank": 3201}, {"candidate_id": "ODC-F32CAB", "res_at": 1787619548, "skeleton": "IAHCEPTWTKBZMZ", "hf_user": "Bio-JS", "display_name": "아닐린 4차: N-포밀-3-(플루오로메틸)아제티딘-3-일 (아실 fold + 가지F 효능)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 39.064, "axes": {"activity": 19.16, "binding": 6.84, "selectivity": 3.42, "admet": 2.76, "novelty": 4.44, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.75, "fraction": 0.639}, "binding": {"pIC50": 6.38, "LE": 0.224, "potency_term": 0.458, "efficiency_cap": 0.747}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.458}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.3, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.7497174546956975, "aff_pf": -0.37527740001678467, "aff_hs": 0.3716217329104741, "repeats_pf": {"runs": 3, "values": [0.4916, -0.5901, -1.0274], "mean": -0.3753, "spread": 1.519}, "repeats_hs": {"runs": 3, "values": [0.4841, 0.2251, 0.4057], "mean": 0.3716, "spread": 0.259}, "at": 1787619548}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618642, "scored_at": 1787619548, "alerts": [], "rank": 3202}, {"candidate_id": "ODC-F4DAD6", "res_at": 1788091324, "skeleton": "ALIZDLZXIBGWTO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········CCCC1", "total": 39.045, "axes": {"activity": 16.68, "binding": 9.62, "selectivity": 3.33, "admet": 3.6, "novelty": 3.47, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.601, "fraction": 0.556}, "binding": {"pIC50": 6.51, "LE": 0.288, "potency_term": 0.502, "efficiency_cap": 0.958}, "selectivity": {"fold": 4.6, "selectivity_term": 0.332, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.68, "cyp2c9-veith": 0.216, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.60107625412853, "aff_pf": -0.5056170225143433, "aff_hs": 0.15745817869901657, "repeats_pf": {"runs": 3, "values": [-0.556, -0.4812, -0.4796], "mean": -0.5056, "spread": 0.0764}, "repeats_hs": {"runs": 3, "values": [-0.0121, 0.1124, 0.3722], "mean": 0.1575, "spread": 0.3843}, "at": 1788091324}, "tier": 1, "alerts": [], "total_sd": 0.577, "total_ci95": [38.039, 40.122], "relegate_reason": [], "submitted_at": 1788080572, "scored_at": 1788091324, "rank": 3203}, {"candidate_id": "ODC-AC65B2", "res_at": 1788134904, "skeleton": "JVDPAYJIPNNUTJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 39.043, "axes": {"activity": 18.53, "binding": 10.06, "selectivity": 0.0, "admet": 3.87, "novelty": 4.09, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.712, "fraction": 0.618}, "binding": {"pIC50": 6.6, "LE": 0.283, "potency_term": 0.534, "efficiency_cap": 0.942}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.403, "cyp3a4-substrate-carbonmangels": 0.521, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.711583272868989, "aff_pf": -0.6021979053815206, "aff_hs": -0.7410328189531962, "repeats_pf": {"runs": 3, "values": [-0.65, -0.4874, -0.6692], "mean": -0.6022, "spread": 0.1817}, "repeats_hs": {"runs": 3, "values": [-0.7135, -0.6594, -0.8503], "mean": -0.741, "spread": 0.1909}, "at": 1788134904}, "tier": 1, "alerts": [], "total_sd": 0.365, "total_ci95": [38.159, 39.57], "relegate_reason": [], "submitted_at": 1788132467, "scored_at": 1788134904, "rank": 3204}, {"candidate_id": "ODC-63E6A8", "res_at": 1788968587, "skeleton": "ZBHBFIZDHTUXIV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 39.041, "axes": {"activity": 15.05, "binding": 11.2, "selectivity": 3.27, "admet": 4.15, "novelty": 2.94, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 6.68, "LE": 0.366, "potency_term": 0.56, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.622, "cyp3a4-substrate-carbonmangels": 0.228, "ld50-zhu": 0.596, "herg": 0.214, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.502730913735385, "aff_pf": -0.6803743739922842, "aff_hs": -0.09634330372015636, "repeats_pf": {"runs": 3, "values": [-0.4472, -0.7547, -0.8392], "mean": -0.6804, "spread": 0.392}, "repeats_hs": {"runs": 3, "values": [-0.1381, -0.2232, 0.0724], "mean": -0.0963, "spread": 0.2956}, "at": 1788968587}, "tier": 1, "alerts": [], "total_sd": 1.909, "total_ci95": [35.992, 42.457], "relegate_reason": [], "submitted_at": 1788964163, "scored_at": 1788968587, "rank": 3205}, {"candidate_id": "ODC-6C8146", "res_at": 1787016954, "skeleton": "BSIKEPHBGDTDHY", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.037, "axes": {"activity": 12.16, "binding": 13.24, "selectivity": 5.29, "admet": 3.22, "novelty": 2.0, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.405}, "binding": {"pIC50": 6.99, "LE": 0.383, "potency_term": 0.662, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.54, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.626, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.329716878897361, "aff_pf": -0.9863545497258505, "aff_hs": -0.18782118459542593, "repeats_pf": {"runs": 3, "values": [-0.9949, -0.97, -0.9941], "mean": -0.9864, "spread": 0.0249}, "repeats_hs": {"runs": 3, "values": [-0.2312, -0.1725, -0.1597], "mean": -0.1878, "spread": 0.0715}, "at": 1787016954}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016756, "scored_at": 1787016954, "alerts": [], "rank": 3206}, {"candidate_id": "ODC-CC0404", "res_at": 1787122041, "skeleton": "CVWRIJKCARXPJK", "hf_user": "FwangFwang", "display_name": "fwang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.029, "axes": {"activity": 14.79, "binding": 11.04, "selectivity": 5.81, "admet": 4.18, "novelty": 1.07, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 6.66, "LE": 0.351, "potency_term": 0.552, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.652, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.797}}, "novelty": {"max_tanimoto": 0.807, "novelty": 0.193}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.487257450458659, "aff_pf": -0.6558284560839335, "aff_hs": 0.39652397235234577, "repeats_pf": {"runs": 3, "values": [-0.5772, -0.7108, -0.6795], "mean": -0.6558, "spread": 0.1336}, "repeats_hs": {"runs": 3, "values": [0.4268, 0.3098, 0.453], "mean": 0.3965, "spread": 0.1431}, "at": 1787122041}, "tier": 1, "relegate_reason": [], "submitted_at": 1787103889, "scored_at": 1787122041, "alerts": [], "rank": 3207}, {"candidate_id": "ODC-76D3F6", "res_at": 1788057700, "skeleton": "DFFGUPGLAQYPEF", "hf_user": "Bio-JS", "display_name": "03 A2 오쏘 2-OMe", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)n2n1", "total": 39.026, "axes": {"activity": 15.4, "binding": 9.33, "selectivity": 6.74, "admet": 2.1, "novelty": 3.4, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.524, "fraction": 0.513}, "binding": {"pIC50": 6.69, "LE": 0.248, "potency_term": 0.565, "efficiency_cap": 0.826}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.368, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.551, "herg": 0.05, "dili": 0.2}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.524129126829544, "aff_pf": -0.6945779720942179, "aff_hs": 0.49872177839279175, "repeats_pf": {"runs": 3, "values": [-0.6227, -0.7496, -0.7115], "mean": -0.6946, "spread": 0.1269}, "repeats_hs": {"runs": 3, "values": [0.7863, 0.2208, 0.4891], "mean": 0.4987, "spread": 0.5655}, "at": 1788057700}, "tier": 1, "alerts": [], "total_sd": 0.82, "total_ci95": [37.494, 40.824], "relegate_reason": [], "submitted_at": 1788017289, "scored_at": 1788057700, "rank": 3208}, {"candidate_id": "ODC-C25DC0", "res_at": 1788589365, "skeleton": "BHWQPWBPRNUXCK", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 39.018, "axes": {"activity": 9.91, "binding": 13.65, "selectivity": 5.43, "admet": 5.01, "novelty": 2.28, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 7.05, "LE": 0.371, "potency_term": 0.683, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.398, "target_engagement": 0.683}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.818, "cyp3a4-substrate-carbonmangels": 0.391, "ld50-zhu": 0.349, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.194520400418261, "aff_pf": -1.0479664007822673, "aff_hs": -0.252414549390475, "repeats_pf": {"runs": 3, "values": [-1.1038, -0.9883, -1.0518], "mean": -1.048, "spread": 0.1156}, "repeats_hs": {"runs": 3, "values": [-0.2911, -0.1511, -0.315], "mean": -0.2524, "spread": 0.1639}, "at": 1788589365}, "tier": 1, "alerts": [], "total_sd": 0.632, "total_ci95": [37.794, 40.203], "relegate_reason": [], "submitted_at": 1788571072, "scored_at": 1788589365, "rank": 3209}, {"candidate_id": "ODC-17A8D8", "res_at": 1789070640, "skeleton": "BMXZHSOETLBRNH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········ccc12", "total": 39.017, "axes": {"activity": 18.26, "binding": 8.48, "selectivity": 3.29, "admet": 2.31, "novelty": 3.87, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.695, "fraction": 0.609}, "binding": {"pIC50": 6.53, "LE": 0.249, "potency_term": 0.511, "efficiency_cap": 0.829}, "selectivity": {"fold": 4.4, "selectivity_term": 0.321, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.478}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.695481336346256, "aff_pf": -0.5343545377254486, "aff_hs": 0.10849192986885707, "repeats_pf": {"runs": 3, "values": [-0.7849, -0.3921, -0.4261], "mean": -0.5344, "spread": 0.3929}, "repeats_hs": {"runs": 3, "values": [0.1584, 0.0175, 0.1496], "mean": 0.1085, "spread": 0.1408}, "at": 1789070640}, "tier": 1, "alerts": [], "total_sd": 1.329, "total_ci95": [36.964, 41.209], "relegate_reason": [], "submitted_at": 1789045935, "scored_at": 1789070640, "rank": 3210}, {"candidate_id": "ODC-8EE925", "res_at": 1787443325, "skeleton": "XKILMUFHHOLFLJ", "hf_user": "1Dmeds", "display_name": "ODC26-C4", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········nc2n1", "total": 38.975, "axes": {"activity": 20.27, "binding": 9.0, "selectivity": 0.0, "admet": 2.61, "novelty": 4.07, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.816, "fraction": 0.676}, "binding": {"pIC50": 6.57, "LE": 0.257, "potency_term": 0.525, "efficiency_cap": 0.858}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.501, "ld50-zhu": 0.555, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.81639621596063, "aff_pf": -0.5737285415331522, "aff_hs": -0.6163377563158671, "repeats_pf": {"runs": 3, "values": [-0.7069, -0.3399, -0.6744], "mean": -0.5737, "spread": 0.367}, "repeats_hs": {"runs": 3, "values": [-0.6224, -0.5544, -0.6723], "mean": -0.6163, "spread": 0.1179}, "at": 1787443325}, "tier": 1, "relegate_reason": [], "submitted_at": 1787442345, "scored_at": 1787443325, "alerts": [], "rank": 3211}, {"candidate_id": "ODC-BE5A9F", "res_at": 1787558337, "skeleton": "KYUKATAEXQMZLU", "hf_user": "takutoyo", "display_name": "PfD16-08", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········2)n1C", "total": 38.975, "axes": {"activity": 22.89, "binding": 6.17, "selectivity": 0.0, "admet": 2.46, "novelty": 4.7, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.973, "fraction": 0.763}, "binding": {"pIC50": 6.07, "LE": 0.26, "potency_term": 0.356, "efficiency_cap": 0.866}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.215, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.37, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.973381708097983, "aff_pf": -0.06921452283859253, "aff_hs": -0.31400411824385327, "repeats_pf": {"runs": 3, "values": [0.0185, -0.3101, 0.084], "mean": -0.0692, "spread": 0.3941}, "repeats_hs": {"runs": 3, "values": [-0.4433, -0.2483, -0.2504], "mean": -0.314, "spread": 0.195}, "at": 1787558337}, "tier": 1, "relegate_reason": [], "submitted_at": 1787544084, "scored_at": 1787558337, "alerts": [], "rank": 3212}, {"candidate_id": "ODC-7B7231", "res_at": 1787033719, "skeleton": "XGONQRVFQNIFHE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 38.971, "axes": {"activity": 10.41, "binding": 11.23, "selectivity": 7.9, "admet": 4.04, "novelty": 3.13, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.224, "fraction": 0.347}, "binding": {"pIC50": 6.68, "LE": 0.398, "potency_term": 0.562, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.5, "selectivity_term": 0.703, "target_engagement": 0.562}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.932, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 0.825, "ld50-zhu": 0.56, "herg": 0.328, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.22433974798832, "aff_pf": -0.6849488417307535, "aff_hs": 0.7217437426249186, "repeats_pf": {"runs": 3, "values": [-0.6457, -0.6698, -0.7393], "mean": -0.6849, "spread": 0.0936}, "repeats_hs": {"runs": 3, "values": [0.7581, 0.5688, 0.8383], "mean": 0.7217, "spread": 0.2694}, "at": 1787033719}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030833, "scored_at": 1787033719, "alerts": [], "rank": 3213}, {"candidate_id": "ODC-84AA1F", "res_at": 1786984875, "skeleton": "NMPXBTWXTIUHNI", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-09", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.885, "axes": {"activity": 11.85, "binding": 11.98, "selectivity": 5.78, "admet": 3.08, "novelty": 3.57, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.311, "fraction": 0.395}, "binding": {"pIC50": 6.8, "LE": 0.372, "potency_term": 0.599, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.482, "target_engagement": 0.599}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.878, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.368, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.310932296432569, "aff_pf": -0.7964295744895935, "aff_hs": 0.1683624784151713, "repeats_pf": {"runs": 3, "values": [-0.7898, -0.8421, -0.7574], "mean": -0.7964, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [0.2917, 0.1282, 0.0851], "mean": 0.1684, "spread": 0.2066}, "at": 1786984875}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980742, "scored_at": 1786984875, "alerts": [], "rank": 3214}, {"candidate_id": "ODC-E5D110", "res_at": 1789434621, "skeleton": "ISDSGFPBTVKQBL", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)(··········)n2n1", "total": 38.885, "axes": {"activity": 12.9, "binding": 11.9, "selectivity": 5.18, "admet": 3.8, "novelty": 3.36, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 6.79, "LE": 0.3, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.266, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.767, "ld50-zhu": 0.955, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "0", "pAct_q10": 5.373871281013563, "aff_pf": -0.7856259743372599, "aff_hs": 0.08457527309656143, "repeats_pf": {"runs": 3, "values": [-0.7501, -0.8048, -0.802], "mean": -0.7856, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [0.1417, 0.0588, 0.0531], "mean": 0.0846, "spread": 0.0886}, "at": 1789434621}, "tier": 1, "alerts": [], "total_sd": 0.366, "total_ci95": [38.054, 39.446], "relegate_reason": [], "submitted_at": 1789434113, "scored_at": 1789434621, "rank": 3215}, {"candidate_id": "ODC-AB2D60", "res_at": 1790023382, "skeleton": "SZEZHUNVVXEWBF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 38.862, "axes": {"activity": 19.24, "binding": 8.17, "selectivity": 1.56, "admet": 3.55, "novelty": 4.12, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.754, "fraction": 0.641}, "binding": {"pIC50": 6.23, "LE": 0.305, "potency_term": 0.409, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.409}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.108, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.898, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.7543493214906505, "aff_pf": -0.22569292287031809, "aff_hs": 0.15684733043114343, "repeats_pf": {"runs": 3, "values": [-0.3837, -0.1306, -0.1628], "mean": -0.2257, "spread": 0.2531}, "repeats_hs": {"runs": 3, "values": [0.1055, 0.1627, 0.2024], "mean": 0.1568, "spread": 0.097}, "at": 1790023382}, "tier": 1, "alerts": [], "total_sd": 0.819, "total_ci95": [37.749, 40.934], "relegate_reason": [], "submitted_at": 1790009059, "scored_at": 1790023382, "rank": 3216}, {"candidate_id": "ODC-63A988", "res_at": 1786853280, "skeleton": "TWGOZHNDSRFCQM", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNc1cc(··········nc2n1", "total": 38.857, "axes": {"activity": 12.79, "binding": 11.73, "selectivity": 4.85, "admet": 4.39, "novelty": 2.54, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 6.76, "LE": 0.386, "potency_term": 0.586, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.586}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.413, "cyp3a4-substrate-carbonmangels": 0.565, "ld50-zhu": 0.284, "herg": 0.478, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.567, "novelty": 0.433}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.3674372266794, "aff_pf": -0.7590288718541464, "aff_hs": 0.06892681618531545, "repeats_pf": {"runs": 3, "values": [-0.8074, -0.6484, -0.8213], "mean": -0.759, "spread": 0.1729}, "repeats_hs": {"runs": 3, "values": [0.0503, 0.1405, 0.0159], "mean": 0.0689, "spread": 0.1246}, "at": 1786853280}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847546, "scored_at": 1786853280, "alerts": [], "rank": 3217}, {"candidate_id": "ODC-08C94E", "res_at": 1787899179, "skeleton": "LBMBKZZCCNLSKA", "hf_user": "Bio-JS", "display_name": "팔제거: 코어2-Me + 에타이닐싸이에탄", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 38.828, "axes": {"activity": 8.55, "binding": 11.88, "selectivity": 8.52, "admet": 3.32, "novelty": 4.19, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.113, "fraction": 0.285}, "binding": {"pIC50": 6.78, "LE": 0.387, "potency_term": 0.594, "efficiency_cap": 1.0}, "selectivity": {"fold": 27.1, "selectivity_term": 0.717, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.278, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.263, "herg": 0.05, "dili": 0.514}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.112706412089522, "aff_pf": -0.782587468624115, "aff_hs": 0.650701661904653, "repeats_pf": {"runs": 3, "values": [-0.7843, -0.8468, -0.7167], "mean": -0.7826, "spread": 0.1301}, "repeats_hs": {"runs": 3, "values": [0.559, 0.686, 0.7071], "mean": 0.6507, "spread": 0.1481}, "at": 1787899179}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889356, "scored_at": 1787899179, "alerts": [], "rank": 3218}, {"candidate_id": "ODC-4EB8C0", "res_at": 1788600599, "skeleton": "JBMFPFFAUHWVJF", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 38.819, "axes": {"activity": 11.08, "binding": 14.5, "selectivity": 3.5, "admet": 3.73, "novelty": 3.24, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.369}, "binding": {"pIC50": 7.17, "LE": 0.328, "potency_term": 0.725, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.725}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.857, "cyp2c9-veith": 0.535, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.56, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 5.264913511659362, "aff_pf": -1.1742673714955647, "aff_hs": -0.6916898886362711, "repeats_pf": {"runs": 3, "values": [-1.1642, -1.1809, -1.1776], "mean": -1.1743, "spread": 0.0167}, "repeats_hs": {"runs": 3, "values": [-0.6955, -0.695, -0.6846], "mean": -0.6917, "spread": 0.011}, "at": 1788600599}, "tier": 1, "alerts": [], "total_sd": 0.08, "total_ci95": [38.619, 38.955], "relegate_reason": [], "submitted_at": 1788583687, "scored_at": 1788600599, "rank": 3219}, {"candidate_id": "ODC-4C83BC", "res_at": 1789440333, "skeleton": "AMFXZHKUGXLNQD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 38.815, "axes": {"activity": 15.2, "binding": 10.41, "selectivity": 4.33, "admet": 3.54, "novelty": 3.17, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.512, "fraction": 0.507}, "binding": {"pIC50": 6.56, "LE": 0.333, "potency_term": 0.52, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.52}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.578, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.511763931721307, "aff_pf": -0.5611415306727091, "aff_hs": 0.27184943358103436, "repeats_pf": {"runs": 3, "values": [-0.6226, -0.6094, -0.4514], "mean": -0.5611, "spread": 0.1712}, "repeats_hs": {"runs": 3, "values": [0.1325, 0.2507, 0.4323], "mean": 0.2718, "spread": 0.2998}, "at": 1789440333}, "tier": 1, "alerts": [], "total_sd": 0.925, "total_ci95": [37.252, 40.617], "relegate_reason": [], "submitted_at": 1789435867, "scored_at": 1789440333, "rank": 3220}, {"candidate_id": "ODC-C56276", "res_at": 1786983084, "skeleton": "KUYRUMLHXQKWSE", "hf_user": "1Dmeds", "display_name": "ODC26-R7A-07", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.805, "axes": {"activity": 8.44, "binding": 11.77, "selectivity": 8.07, "admet": 4.51, "novelty": 3.61, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 6.77, "LE": 0.403, "potency_term": 0.589, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.5, "selectivity_term": 0.685, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.415, "herg": 0.795, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 5.106184506185361, "aff_pf": -0.7655866742134094, "aff_hs": 0.6047857105731964, "repeats_pf": {"runs": 3, "values": [-0.7581, -0.7153, -0.8233], "mean": -0.7656, "spread": 0.108}, "repeats_hs": {"runs": 3, "values": [0.7943, 0.4668, 0.5532], "mean": 0.6048, "spread": 0.3275}, "at": 1786983084}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979493, "scored_at": 1786983084, "alerts": [], "rank": 3221}, {"candidate_id": "ODC-4874C5", "res_at": 1788134296, "skeleton": "NTVSURMFVDKNBO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 38.78, "axes": {"activity": 11.3, "binding": 12.66, "selectivity": 3.98, "admet": 4.76, "novelty": 3.46, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.377}, "binding": {"pIC50": 6.9, "LE": 0.338, "potency_term": 0.633, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.633}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.529, "cyp3a4-substrate-carbonmangels": 0.434, "ld50-zhu": 0.488, "herg": 0.173, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.277808686375367, "aff_pf": -0.8993926048278809, "aff_hs": -0.27105093002319336, "repeats_pf": {"runs": 3, "values": [-0.8843, -0.9199, -0.8939], "mean": -0.8994, "spread": 0.0356}, "repeats_hs": {"runs": 3, "values": [-0.2432, -0.2357, -0.3342], "mean": -0.2711, "spread": 0.0985}, "at": 1788134296}, "tier": 1, "alerts": [], "total_sd": 0.242, "total_ci95": [38.327, 39.22], "relegate_reason": [], "submitted_at": 1788132422, "scored_at": 1788134296, "rank": 3222}, {"candidate_id": "ODC-52EC30", "res_at": 1789385336, "skeleton": "GTNXMZTTXWWBIU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 38.771, "axes": {"activity": 12.97, "binding": 11.6, "selectivity": 4.57, "admet": 3.99, "novelty": 3.15, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 6.74, "LE": 0.342, "potency_term": 0.58, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.455, "cyp3a4-substrate-carbonmangels": 0.565, "ld50-zhu": 0.438, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.457, "novelty": 0.543}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.378479918529959, "aff_pf": -0.7400212486584982, "aff_hs": 0.04795589049657186, "repeats_pf": {"runs": 3, "values": [-0.8431, -0.6624, -0.7145], "mean": -0.74, "spread": 0.1807}, "repeats_hs": {"runs": 3, "values": [0.3143, -0.2833, 0.1129], "mean": 0.048, "spread": 0.5976}, "at": 1789385336}, "tier": 1, "alerts": [], "total_sd": 1.228, "total_ci95": [36.801, 41.221], "relegate_reason": [], "submitted_at": 1789366228, "scored_at": 1789385336, "rank": 3223}, {"candidate_id": "ODC-DF13FC", "res_at": 1787697444, "skeleton": "MFMCWWWHXIRJEN", "hf_user": "Bio-JS", "display_name": "팔 사다리: 4-(피롤리딘-1-일)페닐 (11, −3)", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 38.769, "axes": {"activity": 19.41, "binding": 7.44, "selectivity": 2.71, "admet": 2.19, "novelty": 4.12, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.764, "fraction": 0.647}, "binding": {"pIC50": 6.28, "LE": 0.261, "potency_term": 0.428, "efficiency_cap": 0.87}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.225, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.358, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.496, "herg": 0.05, "dili": 0.402}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.7643356164294435, "aff_pf": -0.28382909297943115, "aff_hs": 0.3500829537709554, "repeats_pf": {"runs": 3, "values": [-0.3795, -0.3118, -0.1602], "mean": -0.2838, "spread": 0.2193}, "repeats_hs": {"runs": 3, "values": [0.3493, 0.3464, 0.3546], "mean": 0.3501, "spread": 0.0082}, "at": 1787697444}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696895, "scored_at": 1787697444, "alerts": [], "rank": 3224}, {"candidate_id": "ODC-EECC66", "res_at": 1789020089, "skeleton": "SCWZNUYJQOPICX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 38.763, "axes": {"activity": 20.67, "binding": 5.55, "selectivity": 0.64, "admet": 4.11, "novelty": 5.03, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.84, "fraction": 0.689}, "binding": {"pIC50": 5.84, "LE": 0.296, "potency_term": 0.281, "efficiency_cap": 0.988}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.462, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.840400907683748, "aff_pf": 0.15784515937169394, "aff_hs": 0.38671926657358807, "repeats_pf": {"runs": 3, "values": [0.2536, 0.07, 0.1499], "mean": 0.1578, "spread": 0.1836}, "repeats_hs": {"runs": 3, "values": [0.4241, 0.4142, 0.3219], "mean": 0.3867, "spread": 0.1022}, "at": 1789020089}, "tier": 1, "alerts": [], "total_sd": 0.45, "total_ci95": [38.011, 39.542], "relegate_reason": [], "submitted_at": 1789016348, "scored_at": 1789020089, "rank": 3225}, {"candidate_id": "ODC-265A3A", "res_at": 1786780264, "skeleton": "JQSUDBXPVLILRM", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 38.753, "axes": {"activity": 13.41, "binding": 11.8, "selectivity": 4.96, "admet": 4.02, "novelty": 1.72, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 6.77, "LE": 0.386, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.448, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.299, "herg": 0.304, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.709, "novelty": 0.291}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.404570318896162, "aff_pf": -0.77067631483078, "aff_hs": 0.06895568097631137, "repeats_pf": {"runs": 3, "values": [-0.7875, -0.6892, -0.8354], "mean": -0.7707, "spread": 0.1462}, "repeats_hs": {"runs": 3, "values": [0.0632, 0.084, 0.0597], "mean": 0.069, "spread": 0.0243}, "at": 1786780264}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779215, "scored_at": 1786780264, "alerts": [], "rank": 3226}, {"candidate_id": "ODC-8939A3", "res_at": 1786839006, "skeleton": "XDWJQNDKHOKCPN", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.747, "axes": {"activity": 12.19, "binding": 12.41, "selectivity": 5.69, "admet": 3.57, "novelty": 2.17, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 6.86, "LE": 0.362, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.458, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.847, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.491, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.65, "novelty": 0.35}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.331293747326247, "aff_pf": -0.8607828219731649, "aff_hs": 0.05588516592979431, "repeats_pf": {"runs": 3, "values": [-0.8657, -0.9296, -0.787], "mean": -0.8608, "spread": 0.1426}, "repeats_hs": {"runs": 3, "values": [0.0456, 0.0787, 0.0433], "mean": 0.0559, "spread": 0.0354}, "at": 1786839006}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805241, "scored_at": 1786839006, "alerts": [], "rank": 3227}, {"candidate_id": "ODC-468375", "res_at": 1787554318, "skeleton": "YTAGUHIDKBQOAR", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 38.731, "axes": {"activity": 16.68, "binding": 9.56, "selectivity": 1.86, "admet": 4.57, "novelty": 4.24, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.601, "fraction": 0.556}, "binding": {"pIC50": 6.43, "LE": 0.315, "potency_term": 0.478, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.787, "cyp2c9-veith": 0.904, "cyp3a4-substrate-carbonmangels": 0.168, "ld50-zhu": 0.952, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.600711570033321, "aff_pf": -0.43336212635040283, "aff_hs": -0.044675253331661224, "repeats_pf": {"runs": 3, "values": [-0.453, -0.4299, -0.4172], "mean": -0.4334, "spread": 0.0357}, "repeats_hs": {"runs": 3, "values": [-0.13, 0.065, -0.069], "mean": -0.0447, "spread": 0.195}, "at": 1787554318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537063, "scored_at": 1787554318, "alerts": [], "rank": 3228}, {"candidate_id": "ODC-5A6B63", "res_at": 1789174394, "skeleton": "MVQCIGUGNVEFQF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.725, "axes": {"activity": 9.53, "binding": 16.23, "selectivity": 0.85, "admet": 4.85, "novelty": 3.92, "synthesis": 3.35}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 7.43, "LE": 0.392, "potency_term": 0.811, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.052, "target_engagement": 0.811}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.633, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.171669542320651, "aff_pf": -1.4342021544774373, "aff_hs": -1.3292105197906494, "repeats_pf": {"runs": 3, "values": [-1.3591, -1.3301, -1.6134], "mean": -1.4342, "spread": 0.2834}, "repeats_hs": {"runs": 3, "values": [-1.3522, -1.2662, -1.3693], "mean": -1.3292, "spread": 0.1031}, "at": 1789174394}, "tier": 1, "alerts": [], "total_sd": 1.435, "total_ci95": [36.774, 42.436], "relegate_reason": [], "submitted_at": 1789173764, "scored_at": 1789174394, "rank": 3229}, {"candidate_id": "ODC-FB286D", "res_at": 1787409538, "skeleton": "BCXDHMHJPKSWIO", "hf_user": "takutoyo", "display_name": "PfD13-15", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 38.72, "axes": {"activity": 19.69, "binding": 9.28, "selectivity": 1.28, "admet": 2.36, "novelty": 4.81, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.656}, "binding": {"pIC50": 6.65, "LE": 0.253, "potency_term": 0.55, "efficiency_cap": 0.844}, "selectivity": {"fold": 1.7, "selectivity_term": 0.116, "target_engagement": 0.55}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.507, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.936, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 4.62}}, "run": {"gpu": "3", "pAct_q10": 5.781607984564903, "aff_pf": -0.6501598358154297, "aff_hs": -0.4171900947888692, "repeats_pf": {"runs": 3, "values": [-0.5503, -0.7553, -0.6448], "mean": -0.6502, "spread": 0.2051}, "repeats_hs": {"runs": 3, "values": [-0.3927, -0.6093, -0.2496], "mean": -0.4172, "spread": 0.3597}, "at": 1787409538}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406791, "scored_at": 1787409538, "alerts": [], "rank": 3230}, {"candidate_id": "ODC-72680D", "res_at": 1789002191, "skeleton": "CVGMJRCOSLEEEV", "hf_user": "Bio-JS", "display_name": "0910b-S1-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.699, "axes": {"activity": 9.94, "binding": 11.09, "selectivity": 8.72, "admet": 4.18, "novelty": 2.2, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.197, "fraction": 0.331}, "binding": {"pIC50": 6.66, "LE": 0.38, "potency_term": 0.555, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.3, "selectivity_term": 0.786, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.502, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.878, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.344, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.603, "novelty": 0.397}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.196516327410879, "aff_pf": -0.6641715367635092, "aff_hs": 0.907736579577128, "repeats_pf": {"runs": 3, "values": [-0.5719, -0.6439, -0.7767], "mean": -0.6642, "spread": 0.2049}, "repeats_hs": {"runs": 3, "values": [0.844, 0.8931, 0.9861], "mean": 0.9077, "spread": 0.1421}, "at": 1789002191}, "tier": 1, "alerts": [], "total_sd": 1.197, "total_ci95": [36.621, 41.309], "relegate_reason": [], "submitted_at": 1789001550, "scored_at": 1789002191, "rank": 3231}, {"candidate_id": "ODC-2E7E92", "res_at": 1786899970, "skeleton": "VHKRLFIWDSHKKR", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Codex-PfDHODH-Target80", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.694, "axes": {"activity": 12.4, "binding": 12.23, "selectivity": 4.11, "admet": 4.42, "novelty": 2.8, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.344, "fraction": 0.413}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.612, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.612}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.546, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.344199059136874, "aff_pf": -0.8348605831464132, "aff_hs": -0.16221057871977487, "repeats_pf": {"runs": 3, "values": [-0.8009, -0.8237, -0.88], "mean": -0.8349, "spread": 0.0791}, "repeats_hs": {"runs": 3, "values": [-0.1495, -0.1685, -0.1686], "mean": -0.1622, "spread": 0.0191}, "at": 1786899970}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887244, "scored_at": 1786899970, "alerts": [], "rank": 3232}, {"candidate_id": "ODC-924C70", "res_at": 1789071121, "skeleton": "HNOXEPHYUYFRJX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········ccc12", "total": 38.674, "axes": {"activity": 19.85, "binding": 6.74, "selectivity": 1.73, "admet": 2.89, "novelty": 4.29, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.791, "fraction": 0.662}, "binding": {"pIC50": 6.3, "LE": 0.233, "potency_term": 0.434, "efficiency_cap": 0.778}, "selectivity": {"fold": 2.5, "selectivity_term": 0.2, "target_engagement": 0.434}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.937, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.791089496009254, "aff_pf": -0.3007107228040695, "aff_hs": 0.0985261599222819, "repeats_pf": {"runs": 3, "values": [-0.2159, -0.2872, -0.3991], "mean": -0.3007, "spread": 0.1832}, "repeats_hs": {"runs": 3, "values": [0.0566, 0.0724, 0.1665], "mean": 0.0985, "spread": 0.1099}, "at": 1789071121}, "tier": 1, "alerts": [], "total_sd": 0.517, "total_ci95": [37.81, 39.887], "relegate_reason": [], "submitted_at": 1789045942, "scored_at": 1789071121, "rank": 3233}, {"candidate_id": "ODC-25EDEF", "res_at": 1786901496, "skeleton": "WHDDSUXXAJWYFG", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 38.666, "axes": {"activity": 10.96, "binding": 12.02, "selectivity": 6.86, "admet": 3.6, "novelty": 2.8, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.257, "fraction": 0.365}, "binding": {"pIC50": 6.8, "LE": 0.321, "potency_term": 0.601, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.601}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.769, "cyp2c9-veith": 0.324, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.594, "herg": 0.05, "dili": 0.157}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.257444957483104, "aff_pf": -0.8023088971773783, "aff_hs": 0.34031906723976135, "repeats_pf": {"runs": 3, "values": [-0.8118, -0.7546, -0.8405], "mean": -0.8023, "spread": 0.0859}, "repeats_hs": {"runs": 3, "values": [0.3957, 0.5736, 0.0517], "mean": 0.3403, "spread": 0.5219}, "at": 1786901496}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888034, "scored_at": 1786901496, "alerts": [], "rank": 3234}, {"candidate_id": "ODC-8DC9C1", "res_at": 1789909726, "skeleton": "LQTGEVAISGQZPG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.653, "axes": {"activity": 8.11, "binding": 12.19, "selectivity": 8.09, "admet": 4.94, "novelty": 2.51, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.087, "fraction": 0.27}, "binding": {"pIC50": 6.83, "LE": 0.425, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.3, "selectivity_term": 0.664, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.721, "cyp3a4-substrate-carbonmangels": 0.33, "ld50-zhu": 0.276, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.588, "novelty": 0.412}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.086879351363028, "aff_pf": -0.8280710180600485, "aff_hs": 0.5000697374343872, "repeats_pf": {"runs": 3, "values": [-0.8047, -0.8559, -0.8236], "mean": -0.8281, "spread": 0.0511}, "repeats_hs": {"runs": 3, "values": [0.5263, 0.4659, 0.508], "mean": 0.5001, "spread": 0.0603}, "at": 1789909726}, "tier": 1, "alerts": [], "total_sd": 0.306, "total_ci95": [38.059, 39.29], "relegate_reason": [], "submitted_at": 1789829694, "scored_at": 1789909726, "rank": 3235}, {"candidate_id": "ODC-C3CB9F", "res_at": 1789941612, "skeleton": "QXUHMHQPEAMPJE", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "OCc1nc2··········)n2n1", "total": 38.646, "axes": {"activity": 14.86, "binding": 9.77, "selectivity": 4.67, "admet": 4.35, "novelty": 2.77, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.495}, "binding": {"pIC50": 6.47, "LE": 0.369, "potency_term": 0.488, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.566, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.469, "herg": 0.714, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.4917129237516304, "aff_pf": -0.46531763672828674, "aff_hs": 0.49037832021713257, "repeats_pf": {"runs": 3, "values": [-0.3321, -0.6261, -0.4377], "mean": -0.4653, "spread": 0.294}, "repeats_hs": {"runs": 3, "values": [0.504, 0.5295, 0.4376], "mean": 0.4904, "spread": 0.0919}, "at": 1789941612}, "tier": 1, "alerts": [], "total_sd": 1.222, "total_ci95": [36.78, 41.982], "relegate_reason": [], "submitted_at": 1789828722, "scored_at": 1789941612, "rank": 3236}, {"candidate_id": "ODC-01476B", "res_at": 1786915649, "skeleton": "SLNMELRGNOQFKR", "hf_user": "ipsych", "display_name": "TPY-phenyl-3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.633, "axes": {"activity": 13.05, "binding": 12.23, "selectivity": 5.13, "admet": 2.22, "novelty": 2.95, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.383, "fraction": 0.435}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.813, "ld50-zhu": 0.402, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.382722546881752, "aff_pf": -0.8340901136398315, "aff_hs": 0.005719209710756938, "repeats_pf": {"runs": 3, "values": [-0.6792, -0.8311, -0.9919], "mean": -0.8341, "spread": 0.3127}, "repeats_hs": {"runs": 3, "values": [0.1764, -0.2296, 0.0703], "mean": 0.0057, "spread": 0.406}, "at": 1786915649}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915121, "scored_at": 1786915649, "alerts": [], "rank": 3237}, {"candidate_id": "ODC-F59CA7", "res_at": 1787655564, "skeleton": "ANUVHUYTKVFEFA", "hf_user": "Moonweave", "display_name": "M5AI-ALK-CAND-02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 38.631, "axes": {"activity": 16.35, "binding": 11.79, "selectivity": 2.64, "admet": 2.89, "novelty": 2.49, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.581, "fraction": 0.545}, "binding": {"pIC50": 6.77, "LE": 0.331, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.369, "herg": 0.05, "dili": 0.976}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.581067369804659, "aff_pf": -0.7685465216636658, "aff_hs": -0.31987907985846203, "repeats_pf": {"runs": 3, "values": [-0.7397, -0.8079, -0.7581], "mean": -0.7685, "spread": 0.0682}, "repeats_hs": {"runs": 3, "values": [-0.2497, -0.3946, -0.3153], "mean": -0.3199, "spread": 0.1449}, "at": 1787655564}, "tier": 1, "relegate_reason": [], "submitted_at": 1787653800, "scored_at": 1787655564, "alerts": [], "rank": 3238}, {"candidate_id": "ODC-B57437", "res_at": 1787453815, "skeleton": "HOCBCKZDMVZOBA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1N=c2··········)F)O1", "total": 38.627, "axes": {"activity": 10.4, "binding": 13.52, "selectivity": 3.46, "admet": 5.47, "novelty": 4.06, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.224, "fraction": 0.347}, "binding": {"pIC50": 7.03, "LE": 0.321, "potency_term": 0.676, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.256, "target_engagement": 0.676}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.626, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.754, "herg": 0.072, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 4.22}}, "run": {"gpu": "3", "pAct_q10": 5.22383032977805, "aff_pf": -1.028465727965037, "aff_hs": -0.5174026489257812, "repeats_pf": {"runs": 3, "values": [-1.0665, -1.0224, -0.9966], "mean": -1.0285, "spread": 0.0699}, "repeats_hs": {"runs": 3, "values": [-0.5725, -0.4917, -0.488], "mean": -0.5174, "spread": 0.0845}, "at": 1787453815}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453028, "scored_at": 1787453815, "alerts": [], "rank": 3239}, {"candidate_id": "ODC-ECC750", "res_at": 1788542037, "skeleton": "JVCFNNMHZBGGCE", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 38.62, "axes": {"activity": 14.96, "binding": 13.2, "selectivity": 0.11, "admet": 3.8, "novelty": 3.76, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.498, "fraction": 0.499}, "binding": {"pIC50": 6.98, "LE": 0.368, "potency_term": 0.66, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.66}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 0.372, "ld50-zhu": 0.697, "herg": 0.068, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.497759371834824, "aff_pf": -0.9801251490910848, "aff_hs": -0.9640823801358541, "repeats_pf": {"runs": 3, "values": [-1.0196, -0.9431, -0.9777], "mean": -0.9801, "spread": 0.0764}, "repeats_hs": {"runs": 3, "values": [-0.9527, -1.0818, -0.8578], "mean": -0.9641, "spread": 0.224}, "at": 1788542037}, "tier": 1, "alerts": [], "total_sd": 0.391, "total_ci95": [38.074, 39.594], "relegate_reason": [], "submitted_at": 1788489659, "scored_at": 1788542037, "rank": 3240}, {"candidate_id": "ODC-320B13", "res_at": 1789178770, "skeleton": "WRXZEYZDYUSLHL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········)n2n1", "total": 38.619, "axes": {"activity": 15.77, "binding": 11.54, "selectivity": 1.77, "admet": 4.57, "novelty": 2.37, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.546, "fraction": 0.526}, "binding": {"pIC50": 6.73, "LE": 0.384, "potency_term": 0.577, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.638, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.403, "herg": 0.751, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.546278722349427, "aff_pf": -0.7309006055196127, "aff_hs": -0.4239201843738556, "repeats_pf": {"runs": 3, "values": [-0.6458, -0.7668, -0.78], "mean": -0.7309, "spread": 0.1342}, "repeats_hs": {"runs": 3, "values": [-0.3829, -0.3785, -0.5104], "mean": -0.4239, "spread": 0.1318}, "at": 1789178770}, "tier": 1, "alerts": [], "total_sd": 0.69, "total_ci95": [37.254, 39.734], "relegate_reason": [], "submitted_at": 1789174114, "scored_at": 1789178770, "rank": 3241}, {"candidate_id": "ODC-41FA6C", "res_at": 1787379401, "skeleton": "DBVOHUKCTMSZNG", "hf_user": "1Dmeds", "display_name": "ODC26-G25", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········CC1C2", "total": 38.616, "axes": {"activity": 20.59, "binding": 9.62, "selectivity": 0.0, "admet": 2.79, "novelty": 4.77, "synthesis": 0.85}, "detail": {"activity": {"pAct_q10": 5.835, "fraction": 0.686}, "binding": {"pIC50": 6.54, "LE": 0.28, "potency_term": 0.515, "efficiency_cap": 0.934}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.144, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 5.13}}, "run": {"gpu": "3", "pAct_q10": 5.835460943950358, "aff_pf": -0.544785829881827, "aff_hs": -0.6468741695086161, "repeats_pf": {"runs": 3, "values": [-0.8513, 0.0436, -0.8266], "mean": -0.5448, "spread": 0.8949}, "repeats_hs": {"runs": 3, "values": [-0.6344, -0.7389, -0.5674], "mean": -0.6469, "spread": 0.1715}, "at": 1787379401}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372817, "scored_at": 1787379401, "alerts": [], "rank": 3242}, {"candidate_id": "ODC-89AEB3", "res_at": 1786927225, "skeleton": "DRIIWDRKDWJAGR", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2Me-C6F-4CF2Me", "model_name": "ODC-2026-R6", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 38.603, "axes": {"activity": 12.43, "binding": 10.95, "selectivity": 5.54, "admet": 4.06, "novelty": 3.25, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.414}, "binding": {"pIC50": 6.64, "LE": 0.379, "potency_term": 0.547, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.47, "cyp3a4-substrate-carbonmangels": 0.281, "ld50-zhu": 0.337, "herg": 0.336, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "1", "pAct_q10": 5.345864795858332, "aff_pf": -0.6423632502555847, "aff_hs": 0.3687397340933482, "repeats_pf": {"runs": 3, "values": [-0.7615, -0.5364, -0.6291], "mean": -0.6424, "spread": 0.2251}, "repeats_hs": {"runs": 3, "values": [0.2913, 0.4397, 0.3752], "mean": 0.3687, "spread": 0.1484}, "at": 1786927225}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923861, "scored_at": 1786927225, "alerts": [], "rank": 3243}, {"candidate_id": "ODC-221D53", "res_at": 1787274828, "skeleton": "WBBNTUPWSWEXOB", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R07", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNc1··········c2)n1", "total": 38.583, "axes": {"activity": 20.61, "binding": 5.71, "selectivity": 1.37, "admet": 3.06, "novelty": 4.5, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.837, "fraction": 0.687}, "binding": {"pIC50": 6.0, "LE": 0.257, "potency_term": 0.334, "efficiency_cap": 0.856}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.334}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.511, "herg": 0.05, "dili": 0.184}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.836599230851637, "aff_pf": -0.0005614658196767172, "aff_hs": 0.409969965616862, "repeats_pf": {"runs": 3, "values": [-0.0143, 0.0761, -0.0634], "mean": -0.0006, "spread": 0.1395}, "repeats_hs": {"runs": 3, "values": [0.3762, 0.431, 0.4227], "mean": 0.41, "spread": 0.0548}, "at": 1787274828}, "tier": 1, "relegate_reason": [], "submitted_at": 1787274628, "scored_at": 1787274828, "alerts": [], "rank": 3244}, {"candidate_id": "ODC-38B562", "res_at": 1786839335, "skeleton": "JGABPKQMIYTRKQ", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.542, "axes": {"activity": 17.59, "binding": 8.91, "selectivity": 3.55, "admet": 4.05, "novelty": 1.78, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 6.34, "LE": 0.362, "potency_term": 0.446, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.398, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.285, "herg": 0.681, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "1", "pAct_q10": 5.655497316228244, "aff_pf": -0.3366854091485341, "aff_hs": 0.4602791865666707, "repeats_pf": {"runs": 3, "values": [-0.3478, -0.3995, -0.2628], "mean": -0.3367, "spread": 0.1366}, "repeats_hs": {"runs": 3, "values": [0.3793, 0.4348, 0.5667], "mean": 0.4603, "spread": 0.1874}, "at": 1786839335}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805236, "scored_at": 1786839335, "alerts": [], "rank": 3245}, {"candidate_id": "ODC-E40E1E", "res_at": 1787921797, "skeleton": "PELLFEPXTGKJPQ", "hf_user": "Bio-JS", "display_name": "K6 코어2-F x 옥세탄 (전자끌기 최소점)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 38.537, "axes": {"activity": 18.8, "binding": 9.28, "selectivity": 0.74, "admet": 2.92, "novelty": 4.2, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.728, "fraction": 0.627}, "binding": {"pIC50": 6.65, "LE": 0.253, "potency_term": 0.55, "efficiency_cap": 0.844}, "selectivity": {"fold": 1.4, "selectivity_term": 0.068, "target_engagement": 0.55}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.499, "hia-hou": 1.0, "bioavailability-ma": 0.922, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.128, "ld50-zhu": 0.524, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.728178232484526, "aff_pf": -0.6503628691037496, "aff_hs": -0.5150958100954691, "repeats_pf": {"runs": 3, "values": [-0.5788, -0.545, -0.8273], "mean": -0.6504, "spread": 0.2822}, "repeats_hs": {"runs": 3, "values": [-0.5431, -0.4567, -0.5454], "mean": -0.5151, "spread": 0.0887}, "at": 1787921797}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898918, "scored_at": 1787921797, "alerts": [], "rank": 3246}, {"candidate_id": "ODC-5384C3", "res_at": 1788433509, "skeleton": "DTIBSRPJWXTRSN", "hf_user": "Bio-JS", "display_name": "0903-S1-16 oCC_mF/cPr/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 38.535, "axes": {"activity": 19.22, "binding": 9.51, "selectivity": 0.22, "admet": 2.43, "novelty": 4.55, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.753, "fraction": 0.641}, "binding": {"pIC50": 6.68, "LE": 0.254, "potency_term": 0.561, "efficiency_cap": 0.848}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.54}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.75293080772089, "aff_pf": -0.6826287508010864, "aff_hs": -0.6439591447512308, "repeats_pf": {"runs": 3, "values": [-0.7039, -0.7371, -0.6069], "mean": -0.6826, "spread": 0.1303}, "repeats_hs": {"runs": 3, "values": [-0.6422, -0.5783, -0.7114], "mean": -0.644, "spread": 0.1332}, "at": 1788433509}, "tier": 1, "alerts": [], "total_sd": 0.407, "total_ci95": [37.787, 39.245], "relegate_reason": [], "submitted_at": 1788362791, "scored_at": 1788433509, "rank": 3247}, {"candidate_id": "ODC-64ACE1", "res_at": 1789375703, "skeleton": "FTGKWZXWTBYCGS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.531, "axes": {"activity": 17.06, "binding": 8.81, "selectivity": 3.59, "admet": 3.54, "novelty": 2.98, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.624, "fraction": 0.569}, "binding": {"pIC50": 6.32, "LE": 0.333, "potency_term": 0.44, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.495, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.623710332000891, "aff_pf": -0.3212195336818695, "aff_hs": 0.4930229187011719, "repeats_pf": {"runs": 3, "values": [-0.2896, -0.3751, -0.299], "mean": -0.3212, "spread": 0.0855}, "repeats_hs": {"runs": 3, "values": [0.5764, 0.6902, 0.2125], "mean": 0.493, "spread": 0.4777}, "at": 1789375703}, "tier": 1, "alerts": [], "total_sd": 0.579, "total_ci95": [37.495, 39.643], "relegate_reason": [], "submitted_at": 1789365256, "scored_at": 1789375703, "rank": 3248}, {"candidate_id": "ODC-065106", "res_at": 1789902885, "skeleton": "XQPPNHILZBGWMH", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.521, "axes": {"activity": 12.14, "binding": 11.56, "selectivity": 6.17, "admet": 4.49, "novelty": 1.62, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.405}, "binding": {"pIC50": 6.73, "LE": 0.369, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.719, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.293, "herg": 0.263, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 5.328367831337836, "aff_pf": -0.733303964138031, "aff_hs": 0.3352467715740204, "repeats_pf": {"runs": 3, "values": [-0.7222, -0.7518, -0.726], "mean": -0.7333, "spread": 0.0296}, "repeats_hs": {"runs": 3, "values": [0.3883, 0.3382, 0.2792], "mean": 0.3352, "spread": 0.1091}, "at": 1789902885}, "tier": 1, "alerts": [], "total_sd": 0.222, "total_ci95": [38.105, 39.008], "relegate_reason": [], "submitted_at": 1789770016, "scored_at": 1789902885, "rank": 3249}, {"candidate_id": "ODC-5D9177", "res_at": 1787704358, "skeleton": "RLYPOJZHBUVJSX", "hf_user": "Bio-JS", "display_name": "팔 울타리: 페닐 2-메틸 (입체)", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 38.516, "axes": {"activity": 17.33, "binding": 7.13, "selectivity": 5.31, "admet": 2.3, "novelty": 4.19, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.64, "fraction": 0.578}, "binding": {"pIC50": 6.36, "LE": 0.236, "potency_term": 0.454, "efficiency_cap": 0.785}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.639887302446462, "aff_pf": -0.36125991741816205, "aff_hs": 0.8083510200182596, "repeats_pf": {"runs": 3, "values": [-0.3222, -0.3429, -0.4187], "mean": -0.3613, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [0.9133, 0.5708, 0.9409], "mean": 0.8084, "spread": 0.3701}, "at": 1787704358}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702807, "scored_at": 1787704358, "alerts": [], "rank": 3250}, {"candidate_id": "ODC-ACC887", "res_at": 1786855735, "skeleton": "IBKBPBCEMGDHDA", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.496, "axes": {"activity": 13.1, "binding": 9.14, "selectivity": 8.17, "admet": 3.72, "novelty": 2.29, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.386, "fraction": 0.437}, "binding": {"pIC50": 6.37, "LE": 0.416, "potency_term": 0.457, "efficiency_cap": 1.0}, "selectivity": {"fold": 61.2, "selectivity_term": 0.893, "target_engagement": 0.457}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.491, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.674, "ld50-zhu": 0.563, "herg": 0.277, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.386160609818874, "aff_pf": -0.371401846408844, "aff_hs": 1.4152586460113525, "repeats_pf": {"runs": 3, "values": [-0.3692, -0.3762, -0.3688], "mean": -0.3714, "spread": 0.0074}, "repeats_hs": {"runs": 3, "values": [1.3435, 1.4642, 1.4381], "mean": 1.4153, "spread": 0.1207}, "at": 1786855735}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847666, "scored_at": 1786855735, "alerts": [], "rank": 3251}, {"candidate_id": "ODC-AD67E8", "res_at": 1788763944, "skeleton": "GHNAFKMYPOPFNF", "hf_user": "Bio-JS", "display_name": "0906-S1-06 SCHF2/CN/R6-Cl/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 38.494, "axes": {"activity": 16.22, "binding": 10.38, "selectivity": 3.16, "admet": 2.94, "novelty": 3.61, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.573, "fraction": 0.541}, "binding": {"pIC50": 6.56, "LE": 0.359, "potency_term": 0.519, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.519}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.345, "herg": 0.81, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.573414953342958, "aff_pf": -0.5568831165631613, "aff_hs": 0.051576800644397736, "repeats_pf": {"runs": 3, "values": [-0.6023, -0.5665, -0.5018], "mean": -0.5569, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [-0.0016, -0.002, 0.1583], "mean": 0.0516, "spread": 0.1603}, "at": 1788763944}, "tier": 1, "alerts": [], "total_sd": 0.414, "total_ci95": [37.739, 39.356], "relegate_reason": [], "submitted_at": 1788665901, "scored_at": 1788763944, "rank": 3252}, {"candidate_id": "ODC-34E7C3", "res_at": 1790000986, "skeleton": "JPFHOZCXLKOEJK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 38.492, "axes": {"activity": 18.63, "binding": 5.78, "selectivity": 3.0, "admet": 4.17, "novelty": 4.29, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.718, "fraction": 0.621}, "binding": {"pIC50": 6.06, "LE": 0.244, "potency_term": 0.355, "efficiency_cap": 0.814}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.552, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.634, "ld50-zhu": 0.782, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.718099751109672, "aff_pf": -0.06412157416343689, "aff_hs": 0.7814445495605469, "repeats_pf": {"runs": 3, "values": [0.027, -0.1652, -0.0542], "mean": -0.0641, "spread": 0.1922}, "repeats_hs": {"runs": 3, "values": [0.502, 0.9245, 0.9178], "mean": 0.7814, "spread": 0.4226}, "at": 1790000986}, "tier": 1, "alerts": [], "total_sd": 0.659, "total_ci95": [37.223, 39.848], "relegate_reason": [], "submitted_at": 1789993128, "scored_at": 1790000986, "rank": 3253}, {"candidate_id": "ODC-E1FA1A", "res_at": 1787070640, "skeleton": "HXYZZXRAZBTYEK", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-018 visible-mask QC", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 38.488, "axes": {"activity": 11.25, "binding": 12.14, "selectivity": 6.78, "admet": 4.16, "novelty": 1.77, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.275, "fraction": 0.375}, "binding": {"pIC50": 6.82, "LE": 0.334, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.558, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.874, "cyp2c9-veith": 0.534, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.588, "herg": 0.229, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.708, "novelty": 0.292}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.27493544036821, "aff_pf": -0.8213195006052653, "aff_hs": 0.2950936605532964, "repeats_pf": {"runs": 3, "values": [-0.8025, -0.8745, -0.787], "mean": -0.8213, "spread": 0.0875}, "repeats_hs": {"runs": 3, "values": [0.3177, 0.191, 0.3766], "mean": 0.2951, "spread": 0.1856}, "at": 1787070640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065332, "scored_at": 1787070640, "alerts": [], "rank": 3254}, {"candidate_id": "ODC-B5B107", "res_at": 1788558312, "skeleton": "PFQKXVVODAMANF", "hf_user": "1Dmeds", "display_name": "ODC26-S1D08", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)CCC1", "total": 38.485, "axes": {"activity": 13.26, "binding": 11.01, "selectivity": 4.81, "admet": 3.55, "novelty": 3.9, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.395, "fraction": 0.442}, "binding": {"pIC50": 6.81, "LE": 0.274, "potency_term": 0.602, "efficiency_cap": 0.914}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.699, "caco2-wang": 0.331, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.106}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 5.395363708766876, "aff_pf": -0.806852916876475, "aff_hs": -0.008897100885709127, "repeats_pf": {"runs": 3, "values": [-0.8685, -0.7778, -0.7742], "mean": -0.8069, "spread": 0.0943}, "repeats_hs": {"runs": 3, "values": [0.0419, 0.075, -0.1436], "mean": -0.0089, "spread": 0.2187}, "at": 1788558312}, "tier": 1, "alerts": [], "total_sd": 0.661, "total_ci95": [37.363, 39.921], "relegate_reason": [], "submitted_at": 1788555394, "scored_at": 1788558312, "rank": 3255}, {"candidate_id": "ODC-790A4F", "res_at": 1788132687, "skeleton": "ONGSUFBMQNCYAO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.453, "axes": {"activity": 14.71, "binding": 10.69, "selectivity": 5.52, "admet": 1.99, "novelty": 3.04, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.6, "LE": 0.302, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.516, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.481, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.858, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.482429858153452, "aff_pf": -0.6034475366274515, "aff_hs": 0.4283943772315979, "repeats_pf": {"runs": 3, "values": [-0.6083, -0.6269, -0.5752], "mean": -0.6034, "spread": 0.0517}, "repeats_hs": {"runs": 3, "values": [0.4839, 0.3523, 0.4491], "mean": 0.4284, "spread": 0.1316}, "at": 1788132687}, "tier": 1, "alerts": [], "total_sd": 0.301, "total_ci95": [37.947, 38.976], "relegate_reason": [], "submitted_at": 1788132318, "scored_at": 1788132687, "rank": 3256}, {"candidate_id": "ODC-30C4F8", "res_at": 1789408668, "skeleton": "RNCZMXFPSRLTBY", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 38.44, "axes": {"activity": 11.24, "binding": 12.34, "selectivity": 6.06, "admet": 4.04, "novelty": 2.94, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.375}, "binding": {"pIC50": 6.85, "LE": 0.313, "potency_term": 0.617, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.395, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.707, "ld50-zhu": 0.845, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "0", "pAct_q10": 5.274101708885201, "aff_pf": -0.8516781727472941, "aff_hs": 0.13026742140452066, "repeats_pf": {"runs": 3, "values": [-0.9371, -0.8034, -0.8145], "mean": -0.8517, "spread": 0.1337}, "repeats_hs": {"runs": 3, "values": [0.2443, -0.05, 0.1965], "mean": 0.1303, "spread": 0.2943}, "at": 1789408668}, "tier": 1, "alerts": [], "total_sd": 0.881, "total_ci95": [37.001, 40.097], "relegate_reason": [], "submitted_at": 1789407617, "scored_at": 1789408668, "rank": 3257}, {"candidate_id": "ODC-CB744F", "res_at": 1788303023, "skeleton": "GCRQOHRDGIZIAO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC=COc1··········2)cc1", "total": 38.434, "axes": {"activity": 13.42, "binding": 11.2, "selectivity": 5.36, "admet": 2.41, "novelty": 3.52, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 7.04, "LE": 0.247, "potency_term": 0.68, "efficiency_cap": 0.824}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.653, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.405454780594074, "aff_pf": -1.0390625794728596, "aff_hs": -0.2506992121537526, "repeats_pf": {"runs": 3, "values": [-1.0361, -1.0896, -0.9915], "mean": -1.0391, "spread": 0.0981}, "repeats_hs": {"runs": 3, "values": [-0.5979, -0.5884, 0.4341], "mean": -0.2507, "spread": 1.032}, "at": 1788303023}, "tier": 1, "alerts": [], "total_sd": 1.849, "total_ci95": [35.445, 41.946], "relegate_reason": [], "submitted_at": 1788275409, "scored_at": 1788303023, "rank": 3258}, {"candidate_id": "ODC-A1B1F9", "res_at": 1786769149, "skeleton": "XFNXQNIWORRVQN", "hf_user": "aiqcamp", "display_name": "FKDKSA", "model_name": "Deepseek v4 flash", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Cl)c(C(F)F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 38.42, "axes": {"activity": 12.38, "binding": 13.76, "selectivity": 2.43, "admet": 4.59, "novelty": 2.25, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 7.06, "LE": 0.387, "potency_term": 0.688, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.688}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.34, "herg": 0.227, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.342613311058753, "aff_pf": -1.0634968280792236, "aff_hs": -0.7102949619293213, "at": 1786769149}, "tier": 1, "relegate_reason": [], "submitted_at": 1786768555, "scored_at": 1786769149, "alerts": [], "rank": 3259}, {"candidate_id": "ODC-9B09B0", "res_at": 1789324902, "skeleton": "QIECXSDUWRGYDC", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-02_MeOEtO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCCOc1··········)cc1F", "total": 38.418, "axes": {"activity": 14.41, "binding": 11.26, "selectivity": 2.33, "admet": 4.31, "novelty": 3.34, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.48}, "binding": {"pIC50": 6.69, "LE": 0.382, "potency_term": 0.563, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.553, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.712, "cyp3a4-substrate-carbonmangels": 0.391, "ld50-zhu": 0.448, "herg": 0.055, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.464793768535351, "aff_pf": -0.6897209286689758, "aff_hs": -0.2766277839740117, "repeats_pf": {"runs": 3, "values": [-0.6711, -0.671, -0.727], "mean": -0.6897, "spread": 0.056}, "repeats_hs": {"runs": 3, "values": [-0.2415, -0.2849, -0.3035], "mean": -0.2766, "spread": 0.062}, "at": 1789324902}, "tier": 1, "alerts": [], "total_sd": 0.322, "total_ci95": [37.967, 39.198], "relegate_reason": [], "submitted_at": 1789318268, "scored_at": 1789324902, "rank": 3260}, {"candidate_id": "ODC-7B5330", "res_at": 1787871386, "skeleton": "CFSAIOXHPDHFSP", "hf_user": "Bio-JS", "display_name": "설폭사이드팔 x N-아실 스페이서", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 38.416, "axes": {"activity": 14.29, "binding": 9.11, "selectivity": 7.76, "admet": 1.93, "novelty": 3.31, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.457, "fraction": 0.476}, "binding": {"pIC50": 6.7, "LE": 0.241, "potency_term": 0.566, "efficiency_cap": 0.805}, "selectivity": {"fold": 23.4, "selectivity_term": 0.685, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.45, "caco2-wang": 0.375, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.575, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.457417963466536, "aff_pf": -0.6984556317329407, "aff_hs": 0.671579917271932, "repeats_pf": {"runs": 3, "values": [-0.5845, -0.7741, -0.7368], "mean": -0.6985, "spread": 0.1895}, "repeats_hs": {"runs": 3, "values": [0.7564, 0.6283, 0.63], "mean": 0.6716, "spread": 0.1281}, "at": 1787871386}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813223, "scored_at": 1787871386, "alerts": [], "rank": 3261}, {"candidate_id": "ODC-189A21", "res_at": 1787555518, "skeleton": "JVPGOHLDCVFBDB", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········(F)n1", "total": 38.398, "axes": {"activity": 18.49, "binding": 8.28, "selectivity": 0.12, "admet": 5.33, "novelty": 4.33, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.709, "fraction": 0.616}, "binding": {"pIC50": 6.26, "LE": 0.296, "potency_term": 0.42, "efficiency_cap": 0.986}, "selectivity": {"fold": 1.1, "selectivity_term": 0.014, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 0.997, "pgp-broccatelli": 0.942, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.213, "ld50-zhu": 0.871, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "3", "pAct_q10": 5.709104067810373, "aff_pf": -0.26036224762598675, "aff_hs": -0.23281035323937735, "repeats_pf": {"runs": 3, "values": [-0.2198, -0.2752, -0.2861], "mean": -0.2604, "spread": 0.0662}, "repeats_hs": {"runs": 3, "values": [-0.1911, -0.1784, -0.3289], "mean": -0.2328, "spread": 0.1504}, "at": 1787555518}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537176, "scored_at": 1787555518, "alerts": [], "rank": 3262}, {"candidate_id": "ODC-AE2B28", "res_at": 1789951097, "skeleton": "APKFFLNYSVRXHS", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 38.363, "axes": {"activity": 18.89, "binding": 4.91, "selectivity": 3.67, "admet": 4.38, "novelty": 3.96, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.734, "fraction": 0.63}, "binding": {"pIC50": 5.97, "LE": 0.227, "potency_term": 0.324, "efficiency_cap": 0.757}, "selectivity": {"fold": 13.6, "selectivity_term": 0.566, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.45, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.297, "cyp2c9-veith": 0.616, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.754, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.733667217952202, "aff_pf": 0.02861858407656352, "aff_hs": 1.1606350342432659, "repeats_pf": {"runs": 3, "values": [0.0838, -0.0363, 0.0384], "mean": 0.0286, "spread": 0.1201}, "repeats_hs": {"runs": 3, "values": [1.159, 1.1633, 1.1597], "mean": 1.1606, "spread": 0.0043}, "at": 1789951097}, "tier": 1, "alerts": [], "total_sd": 0.38, "total_ci95": [37.665, 39.217], "relegate_reason": [], "submitted_at": 1789837502, "scored_at": 1789951097, "rank": 3263}, {"candidate_id": "ODC-98B903", "res_at": 1788805984, "skeleton": "VTDRVBYGGBXFAL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 38.36, "axes": {"activity": 6.97, "binding": 14.15, "selectivity": 6.85, "admet": 4.24, "novelty": 2.75, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 5.018, "fraction": 0.232}, "binding": {"pIC50": 7.12, "LE": 0.424, "potency_term": 0.707, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.484, "target_engagement": 0.707}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.018454643518403, "aff_pf": -1.1218897898991902, "aff_hs": -0.15373445550600687, "repeats_pf": {"runs": 3, "values": [-1.0558, -1.1993, -1.1105], "mean": -1.1219, "spread": 0.1435}, "repeats_hs": {"runs": 3, "values": [-0.1262, -0.2118, -0.1232], "mean": -0.1537, "spread": 0.0885}, "at": 1788805984}, "tier": 1, "alerts": [], "total_sd": 0.793, "total_ci95": [36.923, 40.073], "relegate_reason": [], "submitted_at": 1788737178, "scored_at": 1788805984, "rank": 3264}, {"candidate_id": "ODC-D98285", "res_at": 1787871825, "skeleton": "PGMXSJFKCMKVDR", "hf_user": "Moonweave", "display_name": "M5AI-F12-PRP-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 38.356, "axes": {"activity": 15.64, "binding": 11.3, "selectivity": 2.96, "admet": 2.44, "novelty": 3.5, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.538, "fraction": 0.521}, "binding": {"pIC50": 6.7, "LE": 0.306, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.341, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.468}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.538212114170072, "aff_pf": -0.6955677072207133, "aff_hs": -0.17114757498105368, "repeats_pf": {"runs": 3, "values": [-0.6487, -0.7852, -0.6528], "mean": -0.6956, "spread": 0.1365}, "repeats_hs": {"runs": 3, "values": [-0.0908, -0.2706, -0.152], "mean": -0.1711, "spread": 0.1797}, "at": 1787844575}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791010, "scored_at": 1787844575, "alerts": [], "rank": 3265}, {"candidate_id": "ODC-1310D3", "res_at": 1788307499, "skeleton": "DQAZNLSYZFAYFO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········2)cc1", "total": 38.356, "axes": {"activity": 17.95, "binding": 9.26, "selectivity": 1.72, "admet": 2.88, "novelty": 3.56, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.598}, "binding": {"pIC50": 6.65, "LE": 0.253, "potency_term": 0.549, "efficiency_cap": 0.843}, "selectivity": {"fold": 2.1, "selectivity_term": 0.156, "target_engagement": 0.549}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.323, "cyp3a4-substrate-carbonmangels": 0.535, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.343}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "0", "pAct_q10": 5.676841305390206, "aff_pf": -0.6475476821263632, "aff_hs": -0.334940825899442, "repeats_pf": {"runs": 3, "values": [-0.5589, -0.5769, -0.8069], "mean": -0.6475, "spread": 0.248}, "repeats_hs": {"runs": 3, "values": [-0.1403, -0.7906, -0.074], "mean": -0.3349, "spread": 0.7166}, "at": 1788307499}, "tier": 1, "alerts": [], "total_sd": 1.265, "total_ci95": [36.134, 40.882], "relegate_reason": [], "submitted_at": 1788276920, "scored_at": 1788307499, "rank": 3266}, {"candidate_id": "ODC-B8AE22", "res_at": 1789912871, "skeleton": "LUHCSDYBTKSAMG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)CC··········nc2n1", "total": 38.355, "axes": {"activity": 17.57, "binding": 7.24, "selectivity": 3.36, "admet": 3.93, "novelty": 3.78, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.654, "fraction": 0.586}, "binding": {"pIC50": 6.35, "LE": 0.242, "potency_term": 0.449, "efficiency_cap": 0.805}, "selectivity": {"fold": 5.6, "selectivity_term": 0.374, "target_engagement": 0.449}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.159, "cyp2c9-veith": 0.902, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.65403147041293, "aff_pf": -0.34842097759246826, "aff_hs": 0.3990647494792938, "repeats_pf": {"runs": 3, "values": [-0.3483, -0.4523, -0.2447], "mean": -0.3484, "spread": 0.2076}, "repeats_hs": {"runs": 3, "values": [0.5121, 0.355, 0.3301], "mean": 0.3991, "spread": 0.182}, "at": 1789912871}, "tier": 1, "alerts": [], "total_sd": 0.702, "total_ci95": [37.0, 39.802], "relegate_reason": [], "submitted_at": 1789837509, "scored_at": 1789912871, "rank": 3267}, {"candidate_id": "ODC-86D336", "res_at": 1786892215, "skeleton": "KMNVMFKLZHTSOV", "hf_user": "Flansma", "display_name": "plasma", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 38.317, "axes": {"activity": 20.86, "binding": 6.17, "selectivity": 0.99, "admet": 3.35, "novelty": 3.92, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.851, "fraction": 0.695}, "binding": {"pIC50": 6.04, "LE": 0.267, "potency_term": 0.347, "efficiency_cap": 0.89}, "selectivity": {"fold": 1.9, "selectivity_term": 0.142, "target_engagement": 0.347}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.648, "herg": 0.25, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.437, "novelty": 0.563}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.851478306372246, "aff_pf": -0.040163946648438774, "aff_hs": 0.24468326568603516, "repeats_pf": {"runs": 3, "values": [-0.0343, 0.0243, -0.1105], "mean": -0.0402, "spread": 0.1349}, "repeats_hs": {"runs": 3, "values": [0.2499, 0.2226, 0.2616], "mean": 0.2447, "spread": 0.039}, "at": 1786892215}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884792, "scored_at": 1786892215, "alerts": [], "rank": 3268}, {"candidate_id": "ODC-34F8BD", "res_at": 1786989558, "skeleton": "KHARWOMRVPAYEU", "hf_user": "polarbearsong", "display_name": "ODC-R2-07-genz-thiophene", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········)F)s1", "total": 38.313, "axes": {"activity": 8.77, "binding": 12.84, "selectivity": 7.06, "admet": 4.02, "novelty": 2.68, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.126, "fraction": 0.292}, "binding": {"pIC50": 6.93, "LE": 0.365, "potency_term": 0.642, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.55, "target_engagement": 0.642}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.509, "ld50-zhu": 0.525, "herg": 0.131, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.126090929408189, "aff_pf": -0.9254834254582723, "aff_hs": 0.1751528481642405, "repeats_pf": {"runs": 3, "values": [-1.0015, -0.7797, -0.9953], "mean": -0.9255, "spread": 0.2218}, "repeats_hs": {"runs": 3, "values": [0.0753, 0.1675, 0.2826], "mean": 0.1752, "spread": 0.2073}, "at": 1786989558}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984681, "scored_at": 1786989558, "alerts": [], "rank": 3269}, {"candidate_id": "ODC-D3D3ED", "res_at": 1788964896, "skeleton": "YJDNLVUYNQFDGU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 38.312, "axes": {"activity": 15.11, "binding": 12.19, "selectivity": 1.8, "admet": 3.71, "novelty": 2.5, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.507, "fraction": 0.504}, "binding": {"pIC50": 6.83, "LE": 0.39, "potency_term": 0.61, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.148, "target_engagement": 0.61}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.506775099698282, "aff_pf": -0.8290758530298868, "aff_hs": -0.5337320665518442, "repeats_pf": {"runs": 3, "values": [-0.8307, -0.7913, -0.8652], "mean": -0.8291, "spread": 0.074}, "repeats_hs": {"runs": 3, "values": [-0.5447, -0.4891, -0.5674], "mean": -0.5337, "spread": 0.0783}, "at": 1788964896}, "tier": 1, "alerts": [], "total_sd": 0.345, "total_ci95": [37.694, 39.041], "relegate_reason": [], "submitted_at": 1788963269, "scored_at": 1788964896, "rank": 3270}, {"candidate_id": "ODC-78F039", "res_at": 1789951162, "skeleton": "CHRGPZRJVGQBMV", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 38.304, "axes": {"activity": 16.35, "binding": 8.85, "selectivity": 4.34, "admet": 2.95, "novelty": 3.49, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.581, "fraction": 0.545}, "binding": {"pIC50": 6.55, "LE": 0.256, "potency_term": 0.517, "efficiency_cap": 0.855}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.517}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.303, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.287, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.631, "ld50-zhu": 0.61, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.580734636082029, "aff_pf": -0.5521965225537618, "aff_hs": 0.28733402987321216, "repeats_pf": {"runs": 3, "values": [-0.6559, -0.5287, -0.472], "mean": -0.5522, "spread": 0.1839}, "repeats_hs": {"runs": 3, "values": [0.4551, 0.2917, 0.1152], "mean": 0.2873, "spread": 0.34}, "at": 1789951162}, "tier": 1, "alerts": [], "total_sd": 0.803, "total_ci95": [36.859, 39.907], "relegate_reason": [], "submitted_at": 1789837499, "scored_at": 1789951162, "rank": 3271}, {"candidate_id": "ODC-F834B1", "res_at": 1787505060, "skeleton": "FKUHTIPORFAQGD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC#Cc1c··········2)cc1", "total": 38.303, "axes": {"activity": 17.71, "binding": 8.91, "selectivity": 2.43, "admet": 2.69, "novelty": 3.99, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.59}, "binding": {"pIC50": 6.52, "LE": 0.263, "potency_term": 0.508, "efficiency_cap": 0.876}, "selectivity": {"fold": 3.0, "selectivity_term": 0.239, "target_engagement": 0.508}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.528, "herg": 0.05, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.662565545718761, "aff_pf": -0.5245475669701894, "aff_hs": -0.04719424247741699, "repeats_pf": {"runs": 3, "values": [-0.7929, -0.3784, -0.4024], "mean": -0.5245, "spread": 0.4146}, "repeats_hs": {"runs": 3, "values": [-0.1129, 0.043, -0.0717], "mean": -0.0472, "spread": 0.1559}, "at": 1787505060}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497910, "scored_at": 1787505060, "alerts": [], "rank": 3272}, {"candidate_id": "ODC-FC8FB6", "res_at": 1789538961, "skeleton": "SEEDFGBDMFDKIZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 38.279, "axes": {"activity": 13.09, "binding": 10.59, "selectivity": 6.59, "admet": 2.88, "novelty": 2.6, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.385, "fraction": 0.436}, "binding": {"pIC50": 6.59, "LE": 0.361, "potency_term": 0.529, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.6, "selectivity_term": 0.622, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.977, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.385438447978373, "aff_pf": -0.5878039995829264, "aff_hs": 0.6567836006482443, "repeats_pf": {"runs": 3, "values": [-0.574, -0.5451, -0.6444], "mean": -0.5878, "spread": 0.0993}, "repeats_hs": {"runs": 3, "values": [0.6518, 0.7056, 0.6129], "mean": 0.6568, "spread": 0.0927}, "at": 1789538961}, "tier": 1, "alerts": [], "total_sd": 0.499, "total_ci95": [37.422, 39.317], "relegate_reason": [], "submitted_at": 1789525185, "scored_at": 1789538961, "rank": 3273}, {"candidate_id": "ODC-5D36DC", "res_at": 1789438662, "skeleton": "XQNNONDQRWCCLB", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 38.27, "axes": {"activity": 14.54, "binding": 10.74, "selectivity": 4.02, "admet": 3.53, "novelty": 3.17, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.472, "fraction": 0.485}, "binding": {"pIC50": 6.61, "LE": 0.348, "potency_term": 0.537, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.374, "target_engagement": 0.537}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.266, "cyp2c9-veith": 0.341, "cyp3a4-substrate-carbonmangels": 0.43, "ld50-zhu": 0.631, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.472468033440276, "aff_pf": -0.6116642951965332, "aff_hs": 0.13632012406984964, "repeats_pf": {"runs": 3, "values": [-0.5501, -0.5674, -0.7175], "mean": -0.6117, "spread": 0.1674}, "repeats_hs": {"runs": 3, "values": [0.0684, 0.1693, 0.1713], "mean": 0.1363, "spread": 0.1028}, "at": 1789438662}, "tier": 1, "alerts": [], "total_sd": 0.894, "total_ci95": [36.985, 40.434], "relegate_reason": [], "submitted_at": 1789435656, "scored_at": 1789438662, "rank": 3274}, {"candidate_id": "ODC-D6FAA9", "res_at": 1788437861, "skeleton": "DGZAYOICZUFMKY", "hf_user": "Bio-JS", "display_name": "0903-S1-23 mF/oxetane/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 38.267, "axes": {"activity": 19.03, "binding": 7.19, "selectivity": 1.57, "admet": 3.43, "novelty": 4.28, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.742, "fraction": 0.634}, "binding": {"pIC50": 6.31, "LE": 0.247, "potency_term": 0.437, "efficiency_cap": 0.823}, "selectivity": {"fold": 2.3, "selectivity_term": 0.18, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.463, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.593, "herg": 0.05, "dili": 0.52}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.741871335546523, "aff_pf": -0.31036970019340515, "aff_hs": 0.049113400280475616, "repeats_pf": {"runs": 3, "values": [-0.2562, -0.3972, -0.2777], "mean": -0.3104, "spread": 0.141}, "repeats_hs": {"runs": 3, "values": [0.1666, 0.0353, -0.0546], "mean": 0.0491, "spread": 0.2212}, "at": 1788437861}, "tier": 1, "alerts": [], "total_sd": 0.443, "total_ci95": [37.393, 39.183], "relegate_reason": [], "submitted_at": 1788362862, "scored_at": 1788437861, "rank": 3275}, {"candidate_id": "ODC-F107D2", "res_at": 1789967415, "skeleton": "IIKHDLRHZWOEFM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.248, "axes": {"activity": 13.39, "binding": 11.12, "selectivity": 5.09, "admet": 3.47, "novelty": 2.87, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.403, "fraction": 0.446}, "binding": {"pIC50": 6.67, "LE": 0.338, "potency_term": 0.556, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.458, "target_engagement": 0.556}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 0.453, "ld50-zhu": 0.704, "herg": 0.099, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.403445986300305, "aff_pf": -0.6677978038787842, "aff_hs": 0.24781765540440878, "repeats_pf": {"runs": 3, "values": [-0.6295, -0.7001, -0.6737], "mean": -0.6678, "spread": 0.0706}, "repeats_hs": {"runs": 3, "values": [0.1868, 0.223, 0.3336], "mean": 0.2478, "spread": 0.1468}, "at": 1789967415}, "tier": 1, "alerts": [], "total_sd": 0.398, "total_ci95": [37.499, 39.031], "relegate_reason": [], "submitted_at": 1789918773, "scored_at": 1789967415, "rank": 3276}, {"candidate_id": "ODC-BEE99D", "res_at": 1786885287, "skeleton": "VYVPDPXTAPGXSK", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.246, "axes": {"activity": 11.55, "binding": 11.76, "selectivity": 8.57, "admet": 3.45, "novelty": 0.0, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 6.76, "LE": 0.386, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.7, "selectivity_term": 0.729, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.467, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.357, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "2", "pAct_q10": 5.29289117560986, "aff_pf": -0.7646890679995219, "aff_hs": 0.692987064520518, "repeats_pf": {"runs": 3, "values": [-0.8093, -0.7475, -0.7373], "mean": -0.7647, "spread": 0.072}, "repeats_hs": {"runs": 3, "values": [0.7137, 0.695, 0.6703], "mean": 0.693, "spread": 0.0434}, "at": 1786885287}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878942, "scored_at": 1786885287, "alerts": [], "rank": 3277}, {"candidate_id": "ODC-FEBDB1", "res_at": 1789553745, "skeleton": "YYJIAMXEKVULQF", "hf_user": "Bio-JS", "display_name": "0916-S1-div22", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 38.246, "axes": {"activity": 9.62, "binding": 10.57, "selectivity": 9.08, "admet": 3.59, "novelty": 2.98, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.177, "fraction": 0.321}, "binding": {"pIC50": 6.59, "LE": 0.376, "potency_term": 0.528, "efficiency_cap": 1.0}, "selectivity": {"fold": 52.4, "selectivity_term": 0.86, "target_engagement": 0.528}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.946, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.329, "herg": 0.298, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.176922554885569, "aff_pf": -0.5850122570991516, "aff_hs": 1.134224772453308, "repeats_pf": {"runs": 3, "values": [-0.6071, -0.5541, -0.5939], "mean": -0.585, "spread": 0.053}, "repeats_hs": {"runs": 3, "values": [1.0794, 1.0902, 1.2331], "mean": 1.1342, "spread": 0.1537}, "at": 1789553745}, "tier": 1, "alerts": [], "total_sd": 0.349, "total_ci95": [37.549, 38.915], "relegate_reason": [], "submitted_at": 1789526900, "scored_at": 1789553745, "rank": 3278}, {"candidate_id": "ODC-22AD8C", "res_at": 1789626979, "skeleton": "FNWNNPLPPGSWQG", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 38.246, "axes": {"activity": 16.77, "binding": 8.01, "selectivity": 4.39, "admet": 3.72, "novelty": 3.98, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.606, "fraction": 0.559}, "binding": {"pIC50": 6.43, "LE": 0.252, "potency_term": 0.477, "efficiency_cap": 0.839}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.349, "hia-hou": 0.98, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.574, "cyp2c9-veith": 0.32, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "0", "pAct_q10": 5.6060369835253265, "aff_pf": -0.4318612019220988, "aff_hs": 0.48821327090263367, "repeats_pf": {"runs": 3, "values": [-0.5167, -0.3648, -0.414], "mean": -0.4319, "spread": 0.1519}, "repeats_hs": {"runs": 3, "values": [0.4961, 0.4232, 0.5453], "mean": 0.4882, "spread": 0.122}, "at": 1789626979}, "tier": 1, "alerts": [], "total_sd": 0.588, "total_ci95": [37.326, 39.645], "relegate_reason": [], "submitted_at": 1789624301, "scored_at": 1789626979, "rank": 3279}, {"candidate_id": "ODC-73693D", "res_at": 1788065251, "skeleton": "ZSHVZRFODMUGEF", "hf_user": "Bio-JS", "display_name": "15 A6 오쏘 2-바이닐", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········)n2n1", "total": 38.232, "axes": {"activity": 19.04, "binding": 8.24, "selectivity": 1.38, "admet": 2.65, "novelty": 4.42, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.742, "fraction": 0.635}, "binding": {"pIC50": 6.53, "LE": 0.242, "potency_term": 0.511, "efficiency_cap": 0.806}, "selectivity": {"fold": 1.9, "selectivity_term": 0.135, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.386, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.554, "herg": 0.05, "dili": 0.157}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.7421671548674285, "aff_pf": -0.5321670969327291, "aff_hs": -0.26254040002822876, "repeats_pf": {"runs": 3, "values": [-0.5085, -0.5022, -0.5858], "mean": -0.5322, "spread": 0.0836}, "repeats_hs": {"runs": 3, "values": [-0.2253, -0.2979, -0.2644], "mean": -0.2625, "spread": 0.0725}, "at": 1788065251}, "tier": 1, "alerts": [], "total_sd": 0.298, "total_ci95": [37.761, 38.922], "relegate_reason": [], "submitted_at": 1788017413, "scored_at": 1788065251, "rank": 3280}, {"candidate_id": "ODC-3B74A0", "res_at": 1787153245, "skeleton": "SVIWYNBBXGEZRG", "hf_user": "Ku-ku", "display_name": "M10_ScPr_Br3F", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.222, "axes": {"activity": 13.8, "binding": 11.91, "selectivity": 3.38, "admet": 3.35, "novelty": 3.03, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.428, "fraction": 0.46}, "binding": {"pIC50": 6.79, "LE": 0.404, "potency_term": 0.596, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.204, "ld50-zhu": 0.551, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.428255534927889, "aff_pf": -0.7868998845418295, "aff_hs": -0.22011985381444296, "repeats_pf": {"runs": 3, "values": [-0.8237, -0.7804, -0.7566], "mean": -0.7869, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [-0.2274, -0.0822, -0.3508], "mean": -0.2201, "spread": 0.2686}, "at": 1787153245}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148030, "scored_at": 1787153245, "alerts": [], "rank": 3281}, {"candidate_id": "ODC-1F4CB2", "res_at": 1786956889, "skeleton": "FNJKKGQHWLTCHR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.217, "axes": {"activity": 14.28, "binding": 11.56, "selectivity": 4.75, "admet": 3.61, "novelty": 2.0, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.457, "fraction": 0.476}, "binding": {"pIC50": 6.73, "LE": 0.355, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.925, "cyp2c9-veith": 0.431, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.643, "herg": 0.074, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 5.456691728446433, "aff_pf": -0.7336500883102417, "aff_hs": 0.08881453921397527, "repeats_pf": {"runs": 3, "values": [-0.7433, -0.6971, -0.7606], "mean": -0.7337, "spread": 0.0635}, "repeats_hs": {"runs": 3, "values": [0.027, 0.0968, 0.1427], "mean": 0.0888, "spread": 0.1157}, "at": 1786956889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956362, "scored_at": 1786956889, "alerts": [], "rank": 3282}, {"candidate_id": "ODC-0B2EAC", "res_at": 1786832161, "skeleton": "ZGFFGRADKANQFB", "hf_user": "DOATC", "display_name": "CSc1nc2nc(C)cc(Nc3ncc(Br)c(F)c3)n2n1", "model_name": "OpenAI gpT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.194, "axes": {"activity": 14.26, "binding": 10.45, "selectivity": 4.12, "admet": 4.59, "novelty": 2.47, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 6.57, "LE": 0.428, "potency_term": 0.523, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.395, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.511, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.914, "cyp3a4-substrate-carbonmangels": 0.361, "ld50-zhu": 0.498, "herg": 0.442, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "1", "pAct_q10": 5.45567982682042, "aff_pf": -0.5680872996648153, "aff_hs": 0.2209488476316134, "repeats_pf": {"runs": 3, "values": [-0.53, -0.5902, -0.5841], "mean": -0.5681, "spread": 0.0602}, "repeats_hs": {"runs": 3, "values": [0.31, 0.2437, 0.1091], "mean": 0.2209, "spread": 0.2009}, "at": 1786832161}, "tier": 1, "relegate_reason": [], "submitted_at": 1786796755, "scored_at": 1786832161, "alerts": [], "rank": 3283}, {"candidate_id": "ODC-5EDF93", "res_at": 1788966650, "skeleton": "FORLJCZILRRBDY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 38.193, "axes": {"activity": 13.7, "binding": 11.5, "selectivity": 3.96, "admet": 4.01, "novelty": 2.24, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.73, "LE": 0.369, "potency_term": 0.575, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.575}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.458, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.117, "ld50-zhu": 0.531, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.4222461307329315, "aff_pf": -0.7252333561579386, "aff_hs": -0.03605986634890238, "repeats_pf": {"runs": 3, "values": [-0.7894, -0.6964, -0.69], "mean": -0.7252, "spread": 0.0994}, "repeats_hs": {"runs": 3, "values": [-0.2523, 0.0839, 0.0603], "mean": -0.0361, "spread": 0.3362}, "at": 1788966650}, "tier": 1, "alerts": [], "total_sd": 0.694, "total_ci95": [36.905, 39.472], "relegate_reason": [], "submitted_at": 1788963671, "scored_at": 1788966650, "rank": 3284}, {"candidate_id": "ODC-334D79", "res_at": 1786984564, "skeleton": "BHWBMMSVJVPJGT", "hf_user": "takutoyo", "display_name": "PfD4-04", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 38.148, "axes": {"activity": 14.2, "binding": 10.48, "selectivity": 5.63, "admet": 2.28, "novelty": 3.11, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.452, "fraction": 0.473}, "binding": {"pIC50": 6.57, "LE": 0.311, "potency_term": 0.524, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.537, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.394, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.535, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 5.451781703382689, "aff_pf": -0.5727285544077555, "aff_hs": 0.5005354285240173, "repeats_pf": {"runs": 3, "values": [-0.5525, -0.6385, -0.5271], "mean": -0.5727, "spread": 0.1114}, "repeats_hs": {"runs": 3, "values": [0.4456, 0.5652, 0.4908], "mean": 0.5005, "spread": 0.1196}, "at": 1786984564}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979813, "scored_at": 1786984564, "alerts": [], "rank": 3285}, {"candidate_id": "ODC-B1BB99", "res_at": 1787899056, "skeleton": "RIFNJWMQXYFNOB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-FRESH-03]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 38.145, "axes": {"activity": 16.93, "binding": 9.9, "selectivity": 2.66, "admet": 3.02, "novelty": 3.1, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.564}, "binding": {"pIC50": 6.49, "LE": 0.306, "potency_term": 0.495, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.269, "target_engagement": 0.495}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.826, "hia-hou": 0.986, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.956, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.616029605372336, "aff_pf": -0.4855746924877167, "aff_hs": 0.052139739195505776, "repeats_pf": {"runs": 3, "values": [-0.4364, -0.5954, -0.4249], "mean": -0.4856, "spread": 0.1705}, "repeats_hs": {"runs": 3, "values": [0.0884, 0.2343, -0.1663], "mean": 0.0521, "spread": 0.4005}, "at": 1787899056}, "tier": 1, "relegate_reason": [], "submitted_at": 1787854645, "scored_at": 1787899056, "alerts": [], "rank": 3286}, {"candidate_id": "ODC-0F6889", "res_at": 1789019598, "skeleton": "YVPHUPIIBKIRSO", "hf_user": "Ku-ku", "display_name": "KK-M-0910-221", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)CC2", "total": 38.128, "axes": {"activity": 15.3, "binding": 7.6, "selectivity": 5.62, "admet": 4.45, "novelty": 3.53, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 6.27, "LE": 0.269, "potency_term": 0.425, "efficiency_cap": 0.895}, "selectivity": {"fold": 21.1, "selectivity_term": 0.662, "target_engagement": 0.425}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.635, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.634, "cyp3a4-substrate-carbonmangels": 0.387, "ld50-zhu": 0.671, "herg": 0.186, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.5179631359952195, "aff_pf": -0.27361548443635303, "aff_hs": 1.0498251517613728, "repeats_pf": {"runs": 3, "values": [-0.349, -0.2832, -0.1886], "mean": -0.2736, "spread": 0.1604}, "repeats_hs": {"runs": 3, "values": [1.0683, 1.035, 1.0461], "mean": 1.0498, "spread": 0.0333}, "at": 1789019598}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.576, "total_ci95": [36.827, 39.296], "relegate_reason": [], "submitted_at": 1789015929, "scored_at": 1789019598, "rank": 3287}, {"candidate_id": "ODC-39517E", "res_at": 1788473138, "skeleton": "BAHWBZZXKLLEKF", "hf_user": "Ku-ku", "display_name": "KK-M-0903-579", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········nc2n1", "total": 38.125, "axes": {"activity": 12.15, "binding": 10.63, "selectivity": 6.12, "admet": 3.73, "novelty": 3.37, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.59, "LE": 0.411, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.2, "selectivity_term": 0.576, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.204, "cyp3a4-substrate-carbonmangels": 0.829, "ld50-zhu": 0.328, "herg": 0.676, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.328909792315637, "aff_pf": -0.5948063135147095, "aff_hs": 0.5564824144045512, "repeats_pf": {"runs": 3, "values": [-0.518, -0.7519, -0.5145], "mean": -0.5948, "spread": 0.2374}, "repeats_hs": {"runs": 3, "values": [0.6266, 0.4614, 0.5815], "mean": 0.5565, "spread": 0.1652}, "at": 1788473138}, "tier": 1, "alerts": [], "total_sd": 1.393, "total_ci95": [36.158, 41.368], "relegate_reason": [], "submitted_at": 1788407868, "scored_at": 1788473138, "rank": 3288}, {"candidate_id": "ODC-024B91", "res_at": 1789117678, "skeleton": "OCPKDQFMWRYKFX", "hf_user": "Bio-JS", "display_name": "0911-S1-5pos_C(F)(F)F", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 38.106, "axes": {"activity": 8.68, "binding": 13.85, "selectivity": 5.36, "admet": 3.75, "novelty": 3.4, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.121, "fraction": 0.289}, "binding": {"pIC50": 7.08, "LE": 0.373, "potency_term": 0.692, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.387, "target_engagement": 0.692}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.555, "ld50-zhu": 0.646, "herg": 0.081, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.120693697817532, "aff_pf": -1.0770280758539836, "aff_hs": -0.30328429738680523, "repeats_pf": {"runs": 3, "values": [-1.1625, -1.0516, -1.017], "mean": -1.077, "spread": 0.1455}, "repeats_hs": {"runs": 3, "values": [-0.3913, -0.2755, -0.2431], "mean": -0.3033, "spread": 0.1482}, "at": 1789117678}, "tier": 1, "alerts": [], "total_sd": 0.76, "total_ci95": [36.852, 39.855], "relegate_reason": [], "submitted_at": 1789117002, "scored_at": 1789117678, "rank": 3289}, {"candidate_id": "ODC-826AF4", "res_at": 1787546192, "skeleton": "NARQNMDQQIFUTL", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 38.104, "axes": {"activity": 16.1, "binding": 9.66, "selectivity": 3.78, "admet": 2.56, "novelty": 3.62, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.566, "fraction": 0.537}, "binding": {"pIC50": 6.67, "LE": 0.261, "potency_term": 0.555, "efficiency_cap": 0.87}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.341, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.349, "herg": 0.05, "dili": 0.118}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.566113242368882, "aff_pf": -0.6662058631579081, "aff_hs": 0.014255523681640625, "repeats_pf": {"runs": 3, "values": [-0.5715, -0.6522, -0.7749], "mean": -0.6662, "spread": 0.2034}, "repeats_hs": {"runs": 3, "values": [0.0411, 0.0451, -0.0434], "mean": 0.0143, "spread": 0.0884}, "at": 1787546192}, "tier": 1, "relegate_reason": [], "submitted_at": 1787523306, "scored_at": 1787546192, "alerts": [], "rank": 3290}, {"candidate_id": "ODC-DA6304", "res_at": 1788066875, "skeleton": "SYILUTWEJOKCAH", "hf_user": "Bio-JS", "display_name": "17 A6 오쏘 2-에타이닐", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 38.104, "axes": {"activity": 18.12, "binding": 9.59, "selectivity": 1.1, "admet": 2.74, "novelty": 4.21, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.687, "fraction": 0.604}, "binding": {"pIC50": 6.73, "LE": 0.249, "potency_term": 0.577, "efficiency_cap": 0.831}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.223}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.686986044308268, "aff_pf": -0.7315062483151754, "aff_hs": -0.5415914754072825, "repeats_pf": {"runs": 3, "values": [-0.6691, -0.8114, -0.714], "mean": -0.7315, "spread": 0.1423}, "repeats_hs": {"runs": 3, "values": [-0.6161, -0.5288, -0.4798], "mean": -0.5416, "spread": 0.1363}, "at": 1788066875}, "tier": 1, "alerts": [], "total_sd": 0.53, "total_ci95": [37.061, 39.199], "relegate_reason": [], "submitted_at": 1788017437, "scored_at": 1788066875, "rank": 3291}, {"candidate_id": "ODC-0F2A0B", "res_at": 1789188068, "skeleton": "AONRFJVPAXTXPQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.097, "axes": {"activity": 7.96, "binding": 15.16, "selectivity": 3.19, "admet": 4.62, "novelty": 3.73, "synthesis": 3.44}, "detail": {"activity": {"pAct_q10": 5.078, "fraction": 0.265}, "binding": {"pIC50": 7.27, "LE": 0.399, "potency_term": 0.758, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.21, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.077640428919059, "aff_pf": -1.273809552192688, "aff_hs": -0.853060265382131, "repeats_pf": {"runs": 3, "values": [-1.3214, -1.3501, -1.1499], "mean": -1.2738, "spread": 0.2001}, "repeats_hs": {"runs": 3, "values": [-0.8871, -0.9032, -0.7689], "mean": -0.8531, "spread": 0.1343}, "at": 1789188068}, "tier": 1, "alerts": [], "total_sd": 1.054, "total_ci95": [35.567, 39.81], "relegate_reason": [], "submitted_at": 1789174688, "scored_at": 1789188068, "rank": 3292}, {"candidate_id": "ODC-9DD7D8", "res_at": 1788918466, "skeleton": "NCNRAYCZXVLZIC", "hf_user": "Bio-JS", "display_name": "0909-S1-19", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 38.093, "axes": {"activity": 11.78, "binding": 10.62, "selectivity": 6.64, "admet": 4.14, "novelty": 2.78, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 6.59, "LE": 0.347, "potency_term": 0.531, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.8, "selectivity_term": 0.625, "target_engagement": 0.531}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.955, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.376, "herg": 0.755, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.477, "novelty": 0.523}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.306507301066092, "aff_pf": -0.5925411780675253, "aff_hs": 0.6578003565470377, "repeats_pf": {"runs": 3, "values": [-0.519, -0.6598, -0.5988], "mean": -0.5925, "spread": 0.1407}, "repeats_hs": {"runs": 3, "values": [0.6766, 0.6669, 0.6299], "mean": 0.6578, "spread": 0.0467}, "at": 1788918466}, "tier": 1, "alerts": [], "total_sd": 0.799, "total_ci95": [36.506, 39.645], "relegate_reason": [], "submitted_at": 1788903046, "scored_at": 1788918466, "rank": 3293}, {"candidate_id": "ODC-3A7B22", "res_at": 1787734579, "skeleton": "CIWZNPQFLMNCEQ", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 38.084, "axes": {"activity": 11.77, "binding": 12.8, "selectivity": 6.08, "admet": 3.66, "novelty": 1.73, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 6.92, "LE": 0.306, "potency_term": 0.64, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.64}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.944, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.73, "novelty": 0.27}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 5.306041610163772, "aff_pf": -0.9193309346834818, "aff_hs": 0.030283639828364056, "repeats_pf": {"runs": 3, "values": [-0.8883, -0.8786, -0.9911], "mean": -0.9193, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [0.0366, 0.0303, 0.0239], "mean": 0.0303, "spread": 0.0126}, "at": 1787734579}, "tier": 1, "relegate_reason": [], "submitted_at": 1787732631, "scored_at": 1787734579, "alerts": [], "rank": 3294}, {"candidate_id": "ODC-834BBD", "res_at": 1787134715, "skeleton": "MULXYXKAZBEUEI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········)(F)F", "total": 38.071, "axes": {"activity": 10.79, "binding": 13.86, "selectivity": 4.71, "admet": 4.1, "novelty": 2.55, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.36}, "binding": {"pIC50": 7.08, "LE": 0.303, "potency_term": 0.693, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.693}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.768, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.997, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 3.91}}, "run": {"gpu": "3", "pAct_q10": 5.247143709210946, "aff_pf": -1.0794729789098103, "aff_hs": -0.40017292896906537, "repeats_pf": {"runs": 3, "values": [-1.1322, -0.9384, -1.1678], "mean": -1.0795, "spread": 0.2294}, "repeats_hs": {"runs": 3, "values": [-0.244, -0.3661, -0.5905], "mean": -0.4002, "spread": 0.3465}, "at": 1787134715}, "tier": 1, "relegate_reason": [], "submitted_at": 1787128696, "scored_at": 1787134715, "alerts": [], "rank": 3295}, {"candidate_id": "ODC-42B93F", "res_at": 1789912448, "skeleton": "ZTXGOQSLZQQKHD", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 38.071, "axes": {"activity": 14.68, "binding": 7.11, "selectivity": 8.45, "admet": 2.66, "novelty": 3.16, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 6.3, "LE": 0.247, "potency_term": 0.433, "efficiency_cap": 0.822}, "selectivity": {"fold": 89.5, "selectivity_term": 0.976, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.33, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.436, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 0.128, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 5.4807615874294315, "aff_pf": -0.2981297125418981, "aff_hs": 1.6535723606745403, "repeats_pf": {"runs": 3, "values": [-0.2749, -0.4153, -0.2042], "mean": -0.2981, "spread": 0.2111}, "repeats_hs": {"runs": 3, "values": [1.3963, 1.8338, 1.7306], "mean": 1.6536, "spread": 0.4374}, "at": 1789912448}, "tier": 1, "alerts": [], "total_sd": 0.808, "total_ci95": [36.608, 39.848], "relegate_reason": [], "submitted_at": 1789837488, "scored_at": 1789912448, "rank": 3296}, {"candidate_id": "ODC-2994C0", "res_at": 1787585588, "skeleton": "CEKIVKFFXYGUKO", "hf_user": "Moonweave", "display_name": "M5AI-RN-S3", "model_name": "OpenAI Codex — reference-neighborhood diagnostic", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········C2)s1", "total": 38.066, "axes": {"activity": 12.86, "binding": 11.27, "selectivity": 5.6, "admet": 3.52, "novelty": 1.99, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 6.69, "LE": 0.382, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.497, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.09, "ld50-zhu": 0.343, "herg": 0.05, "dili": 0.589}}, "novelty": {"max_tanimoto": 0.646, "novelty": 0.354}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 5.371643964314466, "aff_pf": -0.6908666690190634, "aff_hs": 0.302385946114858, "repeats_pf": {"runs": 3, "values": [-0.6335, -0.7239, -0.7152], "mean": -0.6909, "spread": 0.0904}, "repeats_hs": {"runs": 3, "values": [0.2119, 0.293, 0.4023], "mean": 0.3024, "spread": 0.1904}, "at": 1787585588}, "tier": 1, "relegate_reason": [], "submitted_at": 1787582070, "scored_at": 1787585588, "alerts": [], "rank": 3297}, {"candidate_id": "ODC-96FCBC", "res_at": 1788913275, "skeleton": "SJBPNARKFWNQHN", "hf_user": "Bio-JS", "display_name": "0909-S1-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 38.058, "axes": {"activity": 9.87, "binding": 11.57, "selectivity": 6.88, "admet": 4.32, "novelty": 3.57, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.192, "fraction": 0.329}, "binding": {"pIC50": 6.74, "LE": 0.369, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.515, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.486, "herg": 0.454, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.19238681977924, "aff_pf": -0.7350926995277405, "aff_hs": 0.4539133707682292, "repeats_pf": {"runs": 3, "values": [-0.7609, -0.7238, -0.7206], "mean": -0.7351, "spread": 0.0403}, "repeats_hs": {"runs": 3, "values": [0.2518, 0.5473, 0.5627], "mean": 0.4539, "spread": 0.311}, "at": 1788913275}, "tier": 1, "alerts": [], "total_sd": 0.51, "total_ci95": [37.145, 38.935], "relegate_reason": [], "submitted_at": 1788902956, "scored_at": 1788913275, "rank": 3298}, {"candidate_id": "ODC-B08DB0", "res_at": 1788966262, "skeleton": "BKEOECTYTSGMIE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 38.055, "axes": {"activity": 15.96, "binding": 11.8, "selectivity": 1.87, "admet": 3.65, "novelty": 2.06, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.558, "fraction": 0.532}, "binding": {"pIC50": 6.77, "LE": 0.357, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.484, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.65, "novelty": 0.35}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.557643049951025, "aff_pf": -0.7692610820134481, "aff_hs": -0.45272472500801086, "repeats_pf": {"runs": 3, "values": [-0.7616, -0.7082, -0.838], "mean": -0.7693, "spread": 0.1297}, "repeats_hs": {"runs": 3, "values": [-0.3815, -0.4599, -0.5168], "mean": -0.4527, "spread": 0.1353}, "at": 1788966262}, "tier": 1, "alerts": [], "total_sd": 0.593, "total_ci95": [37.006, 39.451], "relegate_reason": [], "submitted_at": 1788963595, "scored_at": 1788966262, "rank": 3299}, {"candidate_id": "ODC-AB8C92", "res_at": 1789429787, "skeleton": "RSGZQMQPGUJOGC", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 38.052, "axes": {"activity": 9.78, "binding": 12.37, "selectivity": 6.46, "admet": 4.16, "novelty": 3.48, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 6.86, "LE": 0.303, "potency_term": 0.619, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.522, "target_engagement": 0.619}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.371, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.705, "ld50-zhu": 0.905, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "0", "pAct_q10": 5.186600378216719, "aff_pf": -0.8559129238128662, "aff_hs": 0.18871340155601501, "repeats_pf": {"runs": 3, "values": [-0.7353, -0.942, -0.8904], "mean": -0.8559, "spread": 0.2066}, "repeats_hs": {"runs": 3, "values": [0.3998, -0.1714, 0.3377], "mean": 0.1887, "spread": 0.5712}, "at": 1789429787}, "tier": 1, "alerts": [], "total_sd": 1.448, "total_ci95": [34.788, 40.765], "relegate_reason": [], "submitted_at": 1789429584, "scored_at": 1789429787, "rank": 3300}, {"candidate_id": "ODC-0536B5", "res_at": 1787667511, "skeleton": "NGXWNCZWWNOPLM", "hf_user": "Moonweave", "display_name": "M5AI-AZA-CAND-01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········c2cn1", "total": 38.051, "axes": {"activity": 15.06, "binding": 11.53, "selectivity": 3.55, "admet": 2.5, "novelty": 2.76, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.504, "fraction": 0.502}, "binding": {"pIC50": 6.73, "LE": 0.329, "potency_term": 0.577, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.308, "target_engagement": 0.577}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.297, "herg": 0.05, "dili": 0.199}}, "novelty": {"max_tanimoto": 0.522, "novelty": 0.478}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.50387431012548, "aff_pf": -0.7296913464864095, "aff_hs": -0.11314341922601064, "repeats_pf": {"runs": 3, "values": [-0.6746, -0.6253, -0.8892], "mean": -0.7297, "spread": 0.2638}, "repeats_hs": {"runs": 3, "values": [-0.0763, -0.1255, -0.1377], "mean": -0.1131, "spread": 0.0614}, "at": 1787667511}, "tier": 1, "relegate_reason": [], "submitted_at": 1787667307, "scored_at": 1787667511, "alerts": [], "rank": 3301}, {"candidate_id": "ODC-F2E528", "res_at": 1789907674, "skeleton": "KEAYLILJNHTYTA", "hf_user": "Bio-JS", "display_name": "0918-S1-div20", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Cl", "total": 37.996, "axes": {"activity": 11.8, "binding": 10.64, "selectivity": 6.99, "admet": 3.52, "novelty": 2.62, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 6.6, "LE": 0.393, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.5, "selectivity_term": 0.656, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.363, "herg": 0.258, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.307851483095024, "aff_pf": -0.5966419378916422, "aff_hs": 0.7158581217130026, "repeats_pf": {"runs": 3, "values": [-0.5986, -0.6184, -0.5729], "mean": -0.5966, "spread": 0.0455}, "repeats_hs": {"runs": 3, "values": [0.6071, 0.7887, 0.7517], "mean": 0.7159, "spread": 0.1816}, "at": 1789907674}, "tier": 1, "alerts": [], "total_sd": 0.33, "total_ci95": [37.413, 38.651], "relegate_reason": [], "submitted_at": 1789687062, "scored_at": 1789907674, "rank": 3302}, {"candidate_id": "ODC-8AEED8", "res_at": 1786772117, "skeleton": "LOBDYEHGHFELLK", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC-A4-BromoDifluoro", "model_name": "OpenCrab-ALEXAI candidate panel v0.1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.96, "axes": {"activity": 10.28, "binding": 12.43, "selectivity": 5.9, "admet": 4.18, "novelty": 2.46, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 6.86, "LE": 0.392, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.319, "ld50-zhu": 0.365, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.604, "novelty": 0.396}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.216557401074797, "aff_pf": -0.8642807006835938, "aff_hs": 0.08562874794006348, "at": 1786772117}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771361, "scored_at": 1786772117, "alerts": [], "rank": 3303}, {"candidate_id": "ODC-C2D8B6", "res_at": 1787703965, "skeleton": "WKKUENQZPIRYDQ", "hf_user": "Bio-JS", "display_name": "요인 NH고리 × 하이드록시메틸", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.956, "axes": {"activity": 19.84, "binding": 4.53, "selectivity": 2.95, "admet": 3.51, "novelty": 4.41, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.79, "fraction": 0.661}, "binding": {"pIC50": 5.93, "LE": 0.22, "potency_term": 0.309, "efficiency_cap": 0.732}, "selectivity": {"fold": 9.0, "selectivity_term": 0.477, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.6, "caco2-wang": 0.275, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.624, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.497, "herg": 0.05, "dili": 0.328}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.790469742691935, "aff_pf": 0.07156921923160553, "aff_hs": 1.0252286990483601, "repeats_pf": {"runs": 3, "values": [0.0286, 0.1872, -0.0012], "mean": 0.0716, "spread": 0.1884}, "repeats_hs": {"runs": 3, "values": [0.9522, 0.9314, 1.192], "mean": 1.0252, "spread": 0.2606}, "at": 1787703965}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702798, "scored_at": 1787703965, "alerts": [], "rank": 3304}, {"candidate_id": "ODC-8FF22E", "res_at": 1789908060, "skeleton": "CXZCCIZTXPKZMK", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.943, "axes": {"activity": 14.92, "binding": 9.63, "selectivity": 4.11, "admet": 4.24, "novelty": 2.76, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.495, "fraction": 0.497}, "binding": {"pIC50": 6.44, "LE": 0.34, "potency_term": 0.481, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.427, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.568, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.447, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.556, "herg": 0.448, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.495464400036244, "aff_pf": -0.44449061155319214, "aff_hs": 0.40999730428059894, "repeats_pf": {"runs": 3, "values": [-0.4945, -0.4139, -0.425], "mean": -0.4445, "spread": 0.0806}, "repeats_hs": {"runs": 3, "values": [0.4777, 0.456, 0.2963], "mean": 0.41, "spread": 0.1813}, "at": 1789908060}, "tier": 1, "alerts": [], "total_sd": 0.381, "total_ci95": [37.308, 38.68], "relegate_reason": [], "submitted_at": 1789828715, "scored_at": 1789908060, "rank": 3305}, {"candidate_id": "ODC-93F09D", "res_at": 1787619743, "skeleton": "HIEAVQZOUGUEMH", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 1,3-다이메틸-2-옥소아제티딘-3-일 (N-Me 베타락탐)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.934, "axes": {"activity": 19.63, "binding": 5.32, "selectivity": 3.16, "admet": 3.1, "novelty": 4.47, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.778, "fraction": 0.654}, "binding": {"pIC50": 6.09, "LE": 0.22, "potency_term": 0.363, "efficiency_cap": 0.732}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.319, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.503, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.777766990770035, "aff_pf": -0.09011933207511902, "aff_hs": 0.7789767980575562, "repeats_pf": {"runs": 3, "values": [-0.5048, 0.1253, 0.1092], "mean": -0.0901, "spread": 0.6301}, "repeats_hs": {"runs": 3, "values": [0.7393, 0.8461, 0.7516], "mean": 0.779, "spread": 0.1069}, "at": 1787619743}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618647, "scored_at": 1787619743, "alerts": [], "rank": 3306}, {"candidate_id": "ODC-852F96", "res_at": 1787311733, "skeleton": "HRXQHPIQGNLJJR", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1cc(Cl)c(C(=O)NC2CC2)s1", "smiles_masked": null, "total": 37.933, "axes": {"activity": 8.88, "binding": 12.48, "selectivity": 8.26, "admet": 3.67, "novelty": 1.81, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.133, "fraction": 0.296}, "binding": {"pIC50": 6.87, "LE": 0.392, "potency_term": 0.624, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.1, "selectivity_term": 0.662, "target_engagement": 0.624}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.89, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.969, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.208, "ld50-zhu": 0.465, "herg": 0.062, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.71, "novelty": 0.29}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.133052354257106, "aff_pf": -0.8724532127380371, "aff_hs": 0.4514034589131673, "repeats_pf": {"runs": 3, "values": [-0.8494, -0.8755, -0.8924], "mean": -0.8725, "spread": 0.043}, "repeats_hs": {"runs": 3, "values": [0.4119, 0.4854, 0.4569], "mean": 0.4514, "spread": 0.0735}, "at": 1787311733}, "tier": 1, "relegate_reason": [], "submitted_at": 1787311541, "scored_at": 1787311733, "alerts": [], "rank": 3307}, {"candidate_id": "ODC-D94106", "res_at": 1789407900, "skeleton": "HBZBMKHJQQGTLQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 37.933, "axes": {"activity": 12.53, "binding": 11.81, "selectivity": 5.53, "admet": 4.12, "novelty": 2.23, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 6.77, "LE": 0.309, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.468, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.672, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.896, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "0", "pAct_q10": 5.351579367303587, "aff_pf": -0.7714441219965616, "aff_hs": 0.16519375642140707, "repeats_pf": {"runs": 3, "values": [-0.7263, -0.8508, -0.7372], "mean": -0.7714, "spread": 0.1245}, "repeats_hs": {"runs": 3, "values": [0.0789, 0.2054, 0.2112], "mean": 0.1652, "spread": 0.1323}, "at": 1789407900}, "tier": 1, "alerts": [], "total_sd": 0.648, "total_ci95": [36.916, 39.045], "relegate_reason": [], "submitted_at": 1789407545, "scored_at": 1789407900, "rank": 3308}, {"candidate_id": "ODC-482608", "res_at": 1788092316, "skeleton": "POSLTSXHARRGAR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 37.922, "axes": {"activity": 16.03, "binding": 11.15, "selectivity": 2.24, "admet": 2.82, "novelty": 3.06, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.562, "fraction": 0.534}, "binding": {"pIC50": 6.74, "LE": 0.289, "potency_term": 0.58, "efficiency_cap": 0.962}, "selectivity": {"fold": 2.4, "selectivity_term": 0.193, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.912, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.561708666464648, "aff_pf": -0.7393855651219686, "aff_hs": -0.35296066602071124, "repeats_pf": {"runs": 3, "values": [-0.7114, -0.8038, -0.703], "mean": -0.7394, "spread": 0.1008}, "repeats_hs": {"runs": 3, "values": [-0.3583, -0.2301, -0.4704], "mean": -0.353, "spread": 0.2403}, "at": 1788092316}, "tier": 1, "alerts": [], "total_sd": 0.703, "total_ci95": [36.699, 39.315], "relegate_reason": [], "submitted_at": 1788081192, "scored_at": 1788092316, "rank": 3309}, {"candidate_id": "ODC-ABC85D", "res_at": 1786845487, "skeleton": "HOCUFFQXGCVBME", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.891, "axes": {"activity": 12.91, "binding": 13.71, "selectivity": 1.69, "admet": 4.15, "novelty": 2.37, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.375, "fraction": 0.43}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.401, "ld50-zhu": 0.478, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "1", "pAct_q10": 5.3745499062652815, "aff_pf": -1.0563217798868816, "aff_hs": -0.810253361860911, "repeats_pf": {"runs": 3, "values": [-1.074, -1.0629, -1.032], "mean": -1.0563, "spread": 0.042}, "repeats_hs": {"runs": 3, "values": [-0.8337, -0.8285, -0.7685], "mean": -0.8103, "spread": 0.0652}, "at": 1786845487}, "tier": 1, "relegate_reason": [], "submitted_at": 1786839355, "scored_at": 1786845487, "alerts": [], "rank": 3310}, {"candidate_id": "ODC-60B966", "res_at": 1787638527, "skeleton": "HLELIEXCXZCZFS", "hf_user": "Moonweave", "display_name": "M5AI-LOC-CAND-03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········C2)s1", "total": 37.875, "axes": {"activity": 16.72, "binding": 10.03, "selectivity": 3.18, "admet": 2.9, "novelty": 2.31, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.5, "LE": 0.33, "potency_term": 0.501, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.501}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.293, "ld50-zhu": 0.39, "herg": 0.05, "dili": 0.77}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.602978017635507, "aff_pf": -0.5041807889938354, "aff_hs": 0.12980064253012338, "repeats_pf": {"runs": 3, "values": [-0.5315, -0.4514, -0.5296], "mean": -0.5042, "spread": 0.0801}, "repeats_hs": {"runs": 3, "values": [0.2196, -0.0748, 0.2446], "mean": 0.1298, "spread": 0.3194}, "at": 1787638527}, "tier": 1, "relegate_reason": [], "submitted_at": 1787636286, "scored_at": 1787638527, "alerts": [], "rank": 3311}, {"candidate_id": "ODC-48FC79", "res_at": 1788440354, "skeleton": "MKLBGLKOCBTVLT", "hf_user": "Bio-JS", "display_name": "0903-S1-27 oCC_mF/oxetane/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 37.871, "axes": {"activity": 20.46, "binding": 6.78, "selectivity": 0.0, "admet": 3.06, "novelty": 4.9, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.828, "fraction": 0.682}, "binding": {"pIC50": 6.31, "LE": 0.234, "potency_term": 0.436, "efficiency_cap": 0.778}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.436}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.529}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.827514128732409, "aff_pf": -0.30672470728556317, "aff_hs": -0.8384314974149069, "repeats_pf": {"runs": 3, "values": [-0.4196, -0.277, -0.2236], "mean": -0.3067, "spread": 0.1959}, "repeats_hs": {"runs": 3, "values": [-0.8563, -0.8147, -0.8443], "mean": -0.8384, "spread": 0.0417}, "at": 1788440354}, "tier": 1, "alerts": [], "total_sd": 0.285, "total_ci95": [37.465, 38.588], "relegate_reason": [], "submitted_at": 1788362961, "scored_at": 1788440354, "rank": 3312}, {"candidate_id": "ODC-59DDA2", "res_at": 1787418520, "skeleton": "SYCTYEXQSOWEBV", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R13", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 37.858, "axes": {"activity": 22.51, "binding": 3.29, "selectivity": 0.25, "admet": 3.51, "novelty": 4.82, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.95, "fraction": 0.75}, "binding": {"pIC50": 5.68, "LE": 0.216, "potency_term": 0.228, "efficiency_cap": 0.721}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.228}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.336, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.698, "herg": 0.05, "dili": 0.233}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.950306795233268, "aff_pf": 0.31613027056058246, "aff_hs": 0.4275738249222438, "repeats_pf": {"runs": 3, "values": [0.3005, 0.3154, 0.3325], "mean": 0.3161, "spread": 0.032}, "repeats_hs": {"runs": 3, "values": [0.1677, 0.4802, 0.6349], "mean": 0.4276, "spread": 0.4672}, "at": 1787418520}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412481, "scored_at": 1787418520, "alerts": [], "rank": 3313}, {"candidate_id": "ODC-3B3AF4", "res_at": 1787440877, "skeleton": "TVYNXCVAYGHWMA", "hf_user": "Ku-ku", "display_name": "Q6_NMe2_alkynyl", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 37.852, "axes": {"activity": 21.59, "binding": 4.53, "selectivity": 1.27, "admet": 2.55, "novelty": 4.83, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.896, "fraction": 0.72}, "binding": {"pIC50": 5.82, "LE": 0.249, "potency_term": 0.273, "efficiency_cap": 0.83}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.236, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.452, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.754, "ld50-zhu": 0.405, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.895515081193361, "aff_pf": 0.18145057559013367, "aff_hs": 0.6486630837122599, "repeats_pf": {"runs": 3, "values": [0.183, 0.0768, 0.2845], "mean": 0.1815, "spread": 0.2077}, "repeats_hs": {"runs": 3, "values": [0.722, 0.5822, 0.6419], "mean": 0.6487, "spread": 0.1398}, "at": 1787440877}, "tier": 1, "relegate_reason": [], "submitted_at": 1787438809, "scored_at": 1787440877, "alerts": [], "rank": 3314}, {"candidate_id": "ODC-A3317E", "res_at": 1789948988, "skeleton": "WKZNYLBOQLXCLZ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.85, "axes": {"activity": 20.31, "binding": 2.79, "selectivity": 2.94, "admet": 5.02, "novelty": 3.74, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.819, "fraction": 0.677}, "binding": {"pIC50": 5.58, "LE": 0.218, "potency_term": 0.192, "efficiency_cap": 0.728}, "selectivity": {"fold": 34.0, "selectivity_term": 0.766, "target_engagement": 0.192}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.532, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.792, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.818824580691975, "aff_pf": 0.42381802201271057, "aff_hs": 1.9555549621582031, "repeats_pf": {"runs": 3, "values": [0.3669, 0.4773, 0.4273], "mean": 0.4238, "spread": 0.1104}, "repeats_hs": {"runs": 3, "values": [1.9209, 1.9394, 2.0064], "mean": 1.9556, "spread": 0.0855}, "at": 1789948988}, "tier": 1, "alerts": [], "total_sd": 0.326, "total_ci95": [37.288, 38.568], "relegate_reason": [], "submitted_at": 1789837449, "scored_at": 1789948988, "rank": 3315}, {"candidate_id": "ODC-E49430", "res_at": 1787050760, "skeleton": "IOOXVPYTEYCFPK", "hf_user": "takutoyo", "display_name": "PfD6-B1", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc2··········)n2n1", "total": 37.848, "axes": {"activity": 2.58, "binding": 13.58, "selectivity": 10.19, "admet": 4.31, "novelty": 4.26, "synthesis": 2.93}, "detail": {"activity": {"pAct_q10": 4.755, "fraction": 0.086}, "binding": {"pIC50": 7.04, "LE": 0.438, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.7, "selectivity_term": 0.751, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.631, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.6, "herg": 0.506, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 4.754555358752908, "aff_pf": -1.0368794202804565, "aff_hs": 0.46436357498168945, "repeats_pf": {"runs": 3, "values": [-1.0338, -1.0429, -1.0339], "mean": -1.0369, "spread": 0.0091}, "repeats_hs": {"runs": 3, "values": [0.5211, 0.5887, 0.2833], "mean": 0.4644, "spread": 0.3054}, "at": 1787050760}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047038, "scored_at": 1787050760, "alerts": [], "rank": 3316}, {"candidate_id": "ODC-FCCDA7", "res_at": 1787617036, "skeleton": "CDEISONHLCBYIO", "hf_user": "Moonweave", "display_name": "M5AI-SA-CAND-04", "model_name": "OpenAI Codex — selectivity/ADMET diagnostic", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 37.845, "axes": {"activity": 16.77, "binding": 9.28, "selectivity": 4.04, "admet": 2.52, "novelty": 2.44, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.606, "fraction": 0.559}, "binding": {"pIC50": 6.39, "LE": 0.324, "potency_term": 0.464, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.436, "target_engagement": 0.464}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.313, "herg": 0.05, "dili": 0.927}}, "novelty": {"max_tanimoto": 0.563, "novelty": 0.437}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 5.605942920162891, "aff_pf": -0.39228032032648724, "aff_hs": 0.47917399803797406, "repeats_pf": {"runs": 3, "values": [-0.3402, -0.4054, -0.4313], "mean": -0.3923, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [0.5371, 0.3038, 0.5966], "mean": 0.4792, "spread": 0.2927}, "at": 1787617036}, "tier": 1, "relegate_reason": [], "submitted_at": 1787615604, "scored_at": 1787617036, "alerts": [], "rank": 3317}, {"candidate_id": "ODC-23BBB1", "res_at": 1786926967, "skeleton": "NXIAPQNYTYRZTR", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2Me-C5Cl-C6F-4CF2Me", "model_name": "ODC-2026-R6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 37.842, "axes": {"activity": 11.46, "binding": 11.45, "selectivity": 4.75, "admet": 4.3, "novelty": 3.47, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 6.72, "LE": 0.383, "potency_term": 0.572, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.17, "ld50-zhu": 0.368, "herg": 0.781, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "1", "pAct_q10": 5.287331226533826, "aff_pf": -0.717289924621582, "aff_hs": 0.11274191240469615, "repeats_pf": {"runs": 3, "values": [-0.7628, -0.6704, -0.7187], "mean": -0.7173, "spread": 0.0924}, "repeats_hs": {"runs": 3, "values": [0.1835, 0.1338, 0.0209], "mean": 0.1127, "spread": 0.1627}, "at": 1786926967}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923858, "scored_at": 1786926967, "alerts": [], "rank": 3318}, {"candidate_id": "ODC-8FF732", "res_at": 1789536128, "skeleton": "PVQKTSCVPFXOMT", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.823, "axes": {"activity": 8.39, "binding": 15.71, "selectivity": 2.75, "admet": 4.0, "novelty": 3.61, "synthesis": 3.36}, "detail": {"activity": {"pAct_q10": 5.103, "fraction": 0.28}, "binding": {"pIC50": 7.36, "LE": 0.388, "potency_term": 0.786, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.175, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.808, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.773, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.541, "novelty": 0.459}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.103255384273179, "aff_pf": -1.3570644060770671, "aff_hs": -1.0066303809483845, "repeats_pf": {"runs": 3, "values": [-1.3247, -1.3461, -1.4004], "mean": -1.3571, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [-1.0163, -0.995, -1.0086], "mean": -1.0066, "spread": 0.0213}, "at": 1789536128}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [37.188, 38.691], "relegate_reason": [], "submitted_at": 1789525077, "scored_at": 1789536128, "rank": 3319}, {"candidate_id": "ODC-C515CD", "res_at": 1786843724, "skeleton": "LSCGGUJJHMLUJS", "hf_user": "Melchi-zedek", "display_name": "Codex-PfDHODH-03-Selectivity", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.822, "axes": {"activity": 11.89, "binding": 12.39, "selectivity": 3.34, "admet": 4.46, "novelty": 2.99, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.396}, "binding": {"pIC50": 6.86, "LE": 0.392, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.269, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.738, "cyp3a4-substrate-carbonmangels": 0.072, "ld50-zhu": 0.557, "herg": 0.281, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "1", "pAct_q10": 5.313658692318793, "aff_pf": -0.8587269385655721, "aff_hs": -0.3202667435010274, "repeats_pf": {"runs": 3, "values": [-0.8406, -0.865, -0.8706], "mean": -0.8587, "spread": 0.03}, "repeats_hs": {"runs": 3, "values": [-0.3537, -0.3272, -0.28], "mean": -0.3203, "spread": 0.0737}, "at": 1786843724}, "tier": 1, "relegate_reason": [], "submitted_at": 1786826209, "scored_at": 1786843724, "alerts": [], "rank": 3320}, {"candidate_id": "ODC-FCB0AD", "res_at": 1786951806, "skeleton": "SLPCBKWNYBYDSS", "hf_user": "koreankat", "display_name": "koreankat", "model_name": "perplexity", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)s1", "total": 37.803, "axes": {"activity": 10.78, "binding": 13.26, "selectivity": 5.96, "admet": 4.48, "novelty": 0.0, "synthesis": 3.31}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.359}, "binding": {"pIC50": 6.99, "LE": 0.435, "potency_term": 0.663, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.9, "selectivity_term": 0.45, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.36, "ld50-zhu": 0.384, "herg": 0.282, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "2", "pAct_q10": 5.2468928546702385, "aff_pf": -0.9887949228286743, "aff_hs": -0.08919090529282887, "repeats_pf": {"runs": 3, "values": [-1.0005, -0.981, -0.9849], "mean": -0.9888, "spread": 0.0196}, "repeats_hs": {"runs": 3, "values": [-0.0222, -0.169, -0.0764], "mean": -0.0892, "spread": 0.1468}, "at": 1786951806}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949278, "scored_at": 1786951806, "alerts": [], "rank": 3321}, {"candidate_id": "ODC-258EC4", "res_at": 1788332040, "skeleton": "VEVGFZSQUQYJGU", "hf_user": "Bio-JS", "display_name": "0902-양끝축소", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.788, "axes": {"activity": 13.68, "binding": 9.64, "selectivity": 7.39, "admet": 1.93, "novelty": 2.98, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 6.55, "LE": 0.28, "potency_term": 0.516, "efficiency_cap": 0.934}, "selectivity": {"fold": 27.1, "selectivity_term": 0.716, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.553, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.420953715115337, "aff_pf": -0.5473353366057078, "aff_hs": 0.8850194414456686, "repeats_pf": {"runs": 3, "values": [-0.5583, -0.4976, -0.5861], "mean": -0.5473, "spread": 0.0884}, "repeats_hs": {"runs": 3, "values": [0.8583, 0.8639, 0.9329], "mean": 0.885, "spread": 0.0747}, "at": 1788332040}, "tier": 1, "alerts": [], "total_sd": 0.54, "total_ci95": [36.642, 38.688], "relegate_reason": [], "submitted_at": 1788327392, "scored_at": 1788332040, "rank": 3322}, {"candidate_id": "ODC-F6D813", "res_at": 1787127715, "skeleton": "WAHPFANFYSDYCR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········3)CC1", "total": 37.768, "axes": {"activity": 16.29, "binding": 9.31, "selectivity": 2.37, "admet": 3.95, "novelty": 3.32, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.577, "fraction": 0.543}, "binding": {"pIC50": 6.54, "LE": 0.272, "potency_term": 0.514, "efficiency_cap": 0.905}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.514}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.356, "cyp2c9-veith": 0.419, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.649, "herg": 0.094, "dili": 0.827}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.613}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.577123246444546, "aff_pf": -0.5426834225654602, "aff_hs": -0.0808851346373558, "repeats_pf": {"runs": 3, "values": [-0.5724, -0.5344, -0.5212], "mean": -0.5427, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [-0.298, 0.0157, 0.0397], "mean": -0.0809, "spread": 0.3377}, "at": 1787127715}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116548, "scored_at": 1787127715, "alerts": [], "rank": 3323}, {"candidate_id": "ODC-5247A1", "res_at": 1786840230, "skeleton": "SBJCGTLIDJCMRS", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········32)s1", "total": 37.766, "axes": {"activity": 5.75, "binding": 12.77, "selectivity": 9.36, "admet": 5.04, "novelty": 1.66, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 4.945, "fraction": 0.192}, "binding": {"pIC50": 6.92, "LE": 0.451, "potency_term": 0.638, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.3, "selectivity_term": 0.733, "target_engagement": 0.638}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.991, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.926, "ld50-zhu": 0.409, "herg": 0.782, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.741, "novelty": 0.259}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.944835678253278, "aff_pf": -0.9154582222302755, "aff_hs": 0.5507914423942566, "repeats_pf": {"runs": 3, "values": [-0.8285, -0.8339, -1.084], "mean": -0.9155, "spread": 0.2555}, "repeats_hs": {"runs": 3, "values": [0.5037, 0.5328, 0.6159], "mean": 0.5508, "spread": 0.1121}, "at": 1786840230}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805814, "scored_at": 1786840230, "alerts": [], "rank": 3324}, {"candidate_id": "ODC-F3F909", "res_at": 1789039761, "skeleton": "JDVGNGSRNNYSRP", "hf_user": "1Dmeds", "display_name": "ODC26-CHEMBL6147135", "model_name": "1Dmeds", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 37.742, "axes": {"activity": 11.97, "binding": 14.62, "selectivity": 4.1, "admet": 4.07, "novelty": 0.0, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 7.19, "LE": 0.352, "potency_term": 0.731, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.731}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.826, "herg": 0.05, "dili": 0.182}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.318467736678333, "aff_pf": -1.1931768655776978, "aff_hs": -0.6326204737027487, "repeats_pf": {"runs": 3, "values": [-1.2239, -1.2298, -1.1258], "mean": -1.1932, "spread": 0.104}, "repeats_hs": {"runs": 3, "values": [-0.6879, -0.5362, -0.6737], "mean": -0.6326, "spread": 0.1517}, "at": 1789039761}, "tier": 1, "alerts": [], "total_sd": 0.575, "total_ci95": [36.724, 38.782], "relegate_reason": [], "submitted_at": 1789036644, "scored_at": 1789039761, "rank": 3325}, {"candidate_id": "ODC-FE4808", "res_at": 1786890508, "skeleton": "FFUPTZWGBGCRKV", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "Gpt5.6 Sol-Xhigh", "mw_band": "300-350", "visibility": "public", "smiles": "CSc1nc2nc(C)cc(Nc3ccc(C(F)(F)F)nc3)n2n1", "smiles_masked": null, "total": 37.726, "axes": {"activity": 11.02, "binding": 11.63, "selectivity": 6.04, "admet": 4.68, "novelty": 1.65, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.261, "fraction": 0.367}, "binding": {"pIC50": 6.74, "LE": 0.402, "potency_term": 0.581, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.581}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.907, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.509, "herg": 0.452, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.717, "novelty": 0.283}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.2610793420921524, "aff_pf": -0.7440297404925028, "aff_hs": 0.2944684525330861, "repeats_pf": {"runs": 3, "values": [-0.7587, -0.7428, -0.7306], "mean": -0.744, "spread": 0.0282}, "repeats_hs": {"runs": 3, "values": [0.345, 0.2455, 0.2929], "mean": 0.2945, "spread": 0.0995}, "at": 1786890508}, "tier": 1, "relegate_reason": [], "submitted_at": 1786876319, "scored_at": 1786890508, "alerts": [], "rank": 3326}, {"candidate_id": "ODC-C76629", "res_at": 1787085937, "skeleton": "ZBCMZESWXQFJJC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 37.72, "axes": {"activity": 10.71, "binding": 11.61, "selectivity": 7.18, "admet": 2.7, "novelty": 3.64, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.242, "fraction": 0.357}, "binding": {"pIC50": 6.74, "LE": 0.318, "potency_term": 0.58, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.3, "selectivity_term": 0.619, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.562, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.959, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "3", "pAct_q10": 5.242491701753371, "aff_pf": -0.7413906852404276, "aff_hs": 0.49625826875368756, "repeats_pf": {"runs": 3, "values": [-0.6886, -0.8179, -0.7176], "mean": -0.7414, "spread": 0.1293}, "repeats_hs": {"runs": 3, "values": [0.6205, 0.3556, 0.5127], "mean": 0.4963, "spread": 0.2649}, "at": 1787085937}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074178, "scored_at": 1787085937, "alerts": [], "rank": 3327}, {"candidate_id": "ODC-2EFE72", "res_at": 1786876362, "skeleton": "JJJXFJLZBBKAED", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 37.715, "axes": {"activity": 15.05, "binding": 10.11, "selectivity": 3.63, "admet": 4.15, "novelty": 2.48, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 6.52, "LE": 0.406, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.36, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.658, "cyp3a4-substrate-carbonmangels": 0.466, "ld50-zhu": 0.358, "herg": 0.872, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.503239585310181, "aff_pf": -0.5161359906196594, "aff_hs": 0.20296515027681986, "repeats_pf": {"runs": 3, "values": [-0.6367, -0.4376, -0.4742], "mean": -0.5161, "spread": 0.1992}, "repeats_hs": {"runs": 3, "values": [0.2682, 0.1479, 0.1928], "mean": 0.203, "spread": 0.1203}, "at": 1786876362}, "tier": 1, "relegate_reason": [], "submitted_at": 1786868473, "scored_at": 1786876362, "alerts": [], "rank": 3328}, {"candidate_id": "ODC-78927B", "res_at": 1786972499, "skeleton": "VQRNMSLKXKZJLA", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 37.714, "axes": {"activity": 13.64, "binding": 13.6, "selectivity": 0.0, "admet": 3.51, "novelty": 3.93, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 7.04, "LE": 0.333, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.465, "caco2-wang": 0.472, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.05, "dili": 0.557}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.418502323950758, "aff_pf": -1.0401688416798909, "aff_hs": -1.0434725284576416, "repeats_pf": {"runs": 3, "values": [-1.0088, -1.0738, -1.0379], "mean": -1.0402, "spread": 0.065}, "repeats_hs": {"runs": 3, "values": [-1.0394, -0.9767, -1.1143], "mean": -1.0435, "spread": 0.1375}, "at": 1786972499}, "tier": 1, "relegate_reason": [], "submitted_at": 1786972312, "scored_at": 1786972499, "alerts": [], "rank": 3329}, {"candidate_id": "ODC-B4BAFC", "res_at": 1788080991, "skeleton": "PBHPKQHFXMCCTE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)F)n1", "total": 37.696, "axes": {"activity": 5.93, "binding": 10.72, "selectivity": 10.72, "admet": 5.04, "novelty": 3.15, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 4.956, "fraction": 0.198}, "binding": {"pIC50": 6.61, "LE": 0.362, "potency_term": 0.536, "efficiency_cap": 1.0}, "selectivity": {"fold": 118.8, "selectivity_term": 1.0, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.627, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.614, "cyp3a4-substrate-carbonmangels": 0.39, "ld50-zhu": 0.694, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 4.955810045170507, "aff_pf": -0.607370654741923, "aff_hs": 1.467448075612386, "repeats_pf": {"runs": 3, "values": [-0.7118, -0.4521, -0.6582], "mean": -0.6074, "spread": 0.2597}, "repeats_hs": {"runs": 3, "values": [1.4806, 1.4463, 1.4754], "mean": 1.4674, "spread": 0.0343}, "at": 1788080991}, "tier": 1, "alerts": [], "total_sd": 1.336, "total_ci95": [34.294, 39.76], "relegate_reason": [], "submitted_at": 1788058701, "scored_at": 1788080991, "rank": 3330}, {"candidate_id": "ODC-2BCC98", "res_at": 1787410509, "skeleton": "QWBSVGCXWLUOIH", "hf_user": "Ku-ku", "display_name": "E5_CH2link", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········nc2n1", "total": 37.68, "axes": {"activity": 20.12, "binding": 4.23, "selectivity": 1.62, "admet": 4.41, "novelty": 4.25, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.807, "fraction": 0.671}, "binding": {"pIC50": 5.63, "LE": 0.351, "potency_term": 0.212, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.382, "target_engagement": 0.212}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.267, "ld50-zhu": 0.26, "herg": 0.69, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.806993743559076, "aff_pf": 0.3653072665135066, "aff_hs": 1.1298827131589253, "repeats_pf": {"runs": 3, "values": [0.2142, 0.5788, 0.3029], "mean": 0.3653, "spread": 0.3646}, "repeats_hs": {"runs": 3, "values": [1.258, 1.2167, 0.915], "mean": 1.1299, "spread": 0.3431}, "at": 1787410509}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407700, "scored_at": 1787410509, "alerts": [], "rank": 3331}, {"candidate_id": "ODC-EBAE94", "res_at": 1789434818, "skeleton": "YOICIJOGHLJEPU", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCC(F)··········)n2n1", "total": 37.672, "axes": {"activity": 13.88, "binding": 10.91, "selectivity": 5.09, "admet": 2.97, "novelty": 3.27, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.71, "LE": 0.287, "potency_term": 0.57, "efficiency_cap": 0.957}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.784, "ld50-zhu": 0.814, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "0", "pAct_q10": 5.4329351385264335, "aff_pf": -0.7087113261222839, "aff_hs": 0.18509118755658469, "repeats_pf": {"runs": 3, "values": [-0.7461, -0.6768, -0.7033], "mean": -0.7087, "spread": 0.0693}, "repeats_hs": {"runs": 3, "values": [0.202, 0.1017, 0.2516], "mean": 0.1851, "spread": 0.1499}, "at": 1789434818}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [36.877, 38.517], "relegate_reason": [], "submitted_at": 1789434142, "scored_at": 1789434818, "rank": 3332}, {"candidate_id": "ODC-20DD31", "res_at": 1787872475, "skeleton": "NTPVMZDSNDLJCB", "hf_user": "Bio-JS", "display_name": "설폭사이드팔 x 1-아세틸피페리딘-4-일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 37.671, "axes": {"activity": 18.72, "binding": 5.47, "selectivity": 4.13, "admet": 2.38, "novelty": 4.29, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.723, "fraction": 0.624}, "binding": {"pIC50": 6.14, "LE": 0.216, "potency_term": 0.38, "efficiency_cap": 0.719}, "selectivity": {"fold": 12.2, "selectivity_term": 0.544, "target_engagement": 0.38}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.453, "hia-hou": 1.0, "bioavailability-ma": 0.873, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.372, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.722974020421635, "aff_pf": -0.14029147227605185, "aff_hs": 0.9468433062235514, "repeats_pf": {"runs": 3, "values": [0.2962, -0.3022, -0.4149], "mean": -0.1403, "spread": 0.7111}, "repeats_hs": {"runs": 3, "values": [0.922, 1.0524, 0.8661], "mean": 0.9468, "spread": 0.1863}, "at": 1787872475}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813260, "scored_at": 1787872475, "alerts": [], "rank": 3333}, {"candidate_id": "ODC-3B65F4", "res_at": 1786985431, "skeleton": "ZSUSIYVNYDILTI", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-05", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········ccc1I", "total": 37.67, "axes": {"activity": 10.84, "binding": 13.9, "selectivity": 2.88, "admet": 4.32, "novelty": 2.54, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.361}, "binding": {"pIC50": 7.08, "LE": 0.441, "potency_term": 0.695, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.695}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.981, "cyp2c9-veith": 0.499, "cyp3a4-substrate-carbonmangels": 0.313, "ld50-zhu": 0.279, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.25056440302152, "aff_pf": -1.084501028060913, "aff_hs": -0.6701361735661825, "repeats_pf": {"runs": 3, "values": [-1.0656, -1.1157, -1.0722], "mean": -1.0845, "spread": 0.0501}, "repeats_hs": {"runs": 3, "values": [-0.7265, -0.5679, -0.716], "mean": -0.6701, "spread": 0.1586}, "at": 1786985431}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980852, "scored_at": 1786985431, "alerts": [], "rank": 3334}, {"candidate_id": "ODC-F068AD", "res_at": 1787161933, "skeleton": "PVQHPRLWZBYWRQ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········cccc1", "total": 37.65, "axes": {"activity": 17.18, "binding": 7.59, "selectivity": 5.04, "admet": 2.85, "novelty": 3.12, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.631, "fraction": 0.573}, "binding": {"pIC50": 6.34, "LE": 0.255, "potency_term": 0.446, "efficiency_cap": 0.851}, "selectivity": {"fold": 13.5, "selectivity_term": 0.565, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 0.885, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.604, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.373, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "3", "pAct_q10": 5.630919916983093, "aff_pf": -0.3369177083174388, "aff_hs": 0.7939323981602987, "repeats_pf": {"runs": 3, "values": [-0.3686, -0.3133, -0.3289], "mean": -0.3369, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [0.9552, 0.6194, 0.8072], "mean": 0.7939, "spread": 0.3357}, "at": 1787161933}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151164, "scored_at": 1787161933, "alerts": [], "rank": 3335}, {"candidate_id": "ODC-80392E", "res_at": 1789547359, "skeleton": "OIEKRTOANQDUQF", "hf_user": "Bio-JS", "display_name": "0916-S1-div09", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Br", "total": 37.648, "axes": {"activity": 16.92, "binding": 9.71, "selectivity": 2.1, "admet": 2.87, "novelty": 3.65, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.615, "fraction": 0.564}, "binding": {"pIC50": 6.46, "LE": 0.354, "potency_term": 0.485, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.216, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.425, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.494, "herg": 0.053, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.615076499199398, "aff_pf": -0.45647833744684857, "aff_hs": -0.02448319395383199, "repeats_pf": {"runs": 3, "values": [-0.4175, -0.461, -0.4909], "mean": -0.4565, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [0.1148, -0.1384, -0.0499], "mean": -0.0245, "spread": 0.2532}, "at": 1789547359}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [37.071, 38.384], "relegate_reason": [], "submitted_at": 1789526769, "scored_at": 1789547359, "rank": 3336}, {"candidate_id": "ODC-371CA3", "res_at": 1787491650, "skeleton": "ZLJKRFUHWPWYNO", "hf_user": "takutoyo", "display_name": "PfD15-01", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Si](C··········nc2n1", "total": 37.647, "axes": {"activity": 13.18, "binding": 8.98, "selectivity": 6.35, "admet": 4.8, "novelty": 2.91, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.439}, "binding": {"pIC50": 6.35, "LE": 0.348, "potency_term": 0.449, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.0, "selectivity_term": 0.707, "target_engagement": 0.449}, "admet": {"geometric_mean": 0.713, "per_endpoint": {"solubility-aqsoldb": 0.594, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.87, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.51, "herg": 0.851, "dili": 0.204}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.3905745481699325, "aff_pf": -0.3467298746109009, "aff_hs": 1.0680986642837524, "repeats_pf": {"runs": 3, "values": [-0.3174, -0.3591, -0.3637], "mean": -0.3467, "spread": 0.0464}, "repeats_hs": {"runs": 3, "values": [1.1124, 1.0448, 1.0471], "mean": 1.0681, "spread": 0.0676}, "at": 1787491650}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787491455, "scored_at": 1787491650, "rank": 3337}, {"candidate_id": "ODC-D5290B", "res_at": 1787697640, "skeleton": "ZTBLHJVHYKLKGC", "hf_user": "Bio-JS", "display_name": "팔 사다리: 4-(아제티딘-1-일)페닐 (10, −4)", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.64, "axes": {"activity": 18.15, "binding": 6.85, "selectivity": 4.01, "admet": 2.07, "novelty": 3.86, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.689, "fraction": 0.605}, "binding": {"pIC50": 6.17, "LE": 0.264, "potency_term": 0.389, "efficiency_cap": 0.88}, "selectivity": {"fold": 10.7, "selectivity_term": 0.514, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.228, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.44, "herg": 0.05, "dili": 0.379}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.688974832582195, "aff_pf": -0.16792209446430206, "aff_hs": 0.860931932926178, "repeats_pf": {"runs": 3, "values": [-0.1341, -0.179, -0.1907], "mean": -0.1679, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [0.9748, 0.7915, 0.8165], "mean": 0.8609, "spread": 0.1833}, "at": 1787697640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696904, "scored_at": 1787697640, "alerts": [], "rank": 3338}, {"candidate_id": "ODC-D69FEE", "res_at": 1786870761, "skeleton": "HNKSLZIUIVZVNC", "hf_user": "DOATC", "display_name": "SOL_OPENAI_RETAKE_04", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Br", "total": 37.635, "axes": {"activity": 7.79, "binding": 14.37, "selectivity": 5.36, "admet": 4.06, "novelty": 3.3, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.068, "fraction": 0.26}, "binding": {"pIC50": 7.16, "LE": 0.426, "potency_term": 0.718, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.718}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.743, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.097, "ld50-zhu": 0.475, "herg": 0.174, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.541, "novelty": 0.459}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.067608382827544, "aff_pf": -1.155497431755066, "aff_hs": -0.40977035959561664, "repeats_pf": {"runs": 3, "values": [-1.1151, -1.1711, -1.1803], "mean": -1.1555, "spread": 0.0652}, "repeats_hs": {"runs": 3, "values": [-0.4515, -0.3792, -0.3986], "mean": -0.4098, "spread": 0.0723}, "at": 1786870761}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865176, "scored_at": 1786870761, "alerts": [], "rank": 3339}, {"candidate_id": "ODC-6CFB8E", "res_at": 1788439130, "skeleton": "AVZTVEMKMIPNKN", "hf_user": "Bio-JS", "display_name": "0903-S1-25 oF_mF/oxetane/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.631, "axes": {"activity": 20.14, "binding": 6.4, "selectivity": 0.0, "admet": 3.69, "novelty": 4.6, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.808, "fraction": 0.671}, "binding": {"pIC50": 6.22, "LE": 0.237, "potency_term": 0.406, "efficiency_cap": 0.789}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.406}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.44, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.172}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.808221647303195, "aff_pf": -0.21702348192532858, "aff_hs": -0.3059938848018646, "repeats_pf": {"runs": 3, "values": [-0.1213, -0.3584, -0.1714], "mean": -0.217, "spread": 0.2372}, "repeats_hs": {"runs": 3, "values": [-0.2987, -0.2821, -0.3371], "mean": -0.306, "spread": 0.055}, "at": 1788439130}, "tier": 1, "alerts": [], "total_sd": 0.375, "total_ci95": [37.036, 38.193], "relegate_reason": [], "submitted_at": 1788362879, "scored_at": 1788439130, "rank": 3340}, {"candidate_id": "ODC-DCE2D9", "res_at": 1787045356, "skeleton": "GDBCNXGKESZDQE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 37.607, "axes": {"activity": 22.16, "binding": 2.61, "selectivity": 0.71, "admet": 4.39, "novelty": 4.85, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.93, "fraction": 0.739}, "binding": {"pIC50": 5.39, "LE": 0.308, "potency_term": 0.131, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.131}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.46, "ld50-zhu": 0.442, "herg": 0.608, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.929845343554534, "aff_pf": 0.6084051728248596, "aff_hs": 1.1560981671015422, "repeats_pf": {"runs": 3, "values": [0.6639, 0.697, 0.4643], "mean": 0.6084, "spread": 0.2326}, "repeats_hs": {"runs": 3, "values": [1.164, 1.1537, 1.1506], "mean": 1.1561, "spread": 0.0135}, "at": 1787045356}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039432, "scored_at": 1787045356, "alerts": [], "rank": 3341}, {"candidate_id": "ODC-8D6D9E", "res_at": 1789371426, "skeleton": "VDBHQFFNPWAZQU", "hf_user": "Ku-ku", "display_name": "KK-M-0914-225", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 37.606, "axes": {"activity": 7.8, "binding": 11.26, "selectivity": 7.12, "admet": 5.72, "novelty": 3.73, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.068, "fraction": 0.26}, "binding": {"pIC50": 6.69, "LE": 0.382, "potency_term": 0.563, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.4, "selectivity_term": 0.632, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.677, "per_endpoint": {"solubility-aqsoldb": 0.757, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.706, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.435, "herg": 1.0, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "0", "pAct_q10": 5.068183719363383, "aff_pf": -0.6888378461201986, "aff_hs": 0.5753129124641418, "repeats_pf": {"runs": 3, "values": [-0.6831, -0.6915, -0.6919], "mean": -0.6888, "spread": 0.0088}, "repeats_hs": {"runs": 3, "values": [0.5757, 0.5531, 0.5971], "mean": 0.5753, "spread": 0.044}, "at": 1789371426}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.082, "total_ci95": [37.455, 37.753], "relegate_reason": [], "submitted_at": 1789352916, "scored_at": 1789371426, "rank": 3342}, {"candidate_id": "ODC-1B5B4B", "res_at": 1787655940, "skeleton": "GEIXOIDTKONZFC", "hf_user": "Moonweave", "display_name": "M5AI-ALK-CAND-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C2)s1", "total": 37.6, "axes": {"activity": 16.62, "binding": 11.1, "selectivity": 2.59, "admet": 2.69, "novelty": 1.96, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.597, "fraction": 0.554}, "binding": {"pIC50": 6.66, "LE": 0.326, "potency_term": 0.555, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.233, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.757}}, "novelty": {"max_tanimoto": 0.647, "novelty": 0.353}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.596929637251228, "aff_pf": -0.6645869215329488, "aff_hs": -0.19804890702168146, "repeats_pf": {"runs": 3, "values": [-0.6247, -0.6811, -0.6879], "mean": -0.6646, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [-0.4288, -0.0172, -0.1481], "mean": -0.198, "spread": 0.4116}, "at": 1787655940}, "tier": 1, "relegate_reason": [], "submitted_at": 1787653859, "scored_at": 1787655940, "alerts": [], "rank": 3343}, {"candidate_id": "ODC-2B43D1", "res_at": 1788540668, "skeleton": "HASJUNJYYYVMMW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.597, "axes": {"activity": 9.37, "binding": 12.15, "selectivity": 6.67, "admet": 4.33, "novelty": 2.88, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 6.82, "LE": 0.389, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.6, "selectivity_term": 0.549, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.596, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.348, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.411, "herg": 0.414, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 5.162090734493704, "aff_pf": -0.8225873708724976, "aff_hs": 0.27609282235304516, "repeats_pf": {"runs": 3, "values": [-0.8222, -0.8414, -0.8042], "mean": -0.8226, "spread": 0.0372}, "repeats_hs": {"runs": 3, "values": [0.1541, 0.3567, 0.3174], "mean": 0.2761, "spread": 0.2026}, "at": 1788540668}, "tier": 1, "alerts": [], "total_sd": 0.366, "total_ci95": [36.856, 38.278], "relegate_reason": [], "submitted_at": 1788495882, "scored_at": 1788540668, "rank": 3344}, {"candidate_id": "ODC-3F7976", "res_at": 1786784996, "skeleton": "OKHMHPDMLRPOON", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.583, "axes": {"activity": 10.85, "binding": 12.36, "selectivity": 4.88, "admet": 4.82, "novelty": 1.98, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 6.85, "LE": 0.408, "potency_term": 0.618, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.618}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.175, "herg": 0.631, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.250706635008632, "aff_pf": -0.8544248541196188, "aff_hs": -0.06560457870364189, "repeats_pf": {"runs": 3, "values": [-0.9353, -0.8961, -0.7318], "mean": -0.8544, "spread": 0.2035}, "repeats_hs": {"runs": 3, "values": [-0.0866, -0.0608, -0.0494], "mean": -0.0656, "spread": 0.0371}, "at": 1786784996}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780860, "scored_at": 1786784996, "alerts": [], "rank": 3345}, {"candidate_id": "ODC-038A3D", "res_at": 1786983636, "skeleton": "GCQNEAZQKBCDNV", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.57, "axes": {"activity": 12.0, "binding": 9.9, "selectivity": 7.75, "admet": 3.54, "novelty": 1.9, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.32, "fraction": 0.4}, "binding": {"pIC50": 6.49, "LE": 0.444, "potency_term": 0.495, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.8, "selectivity_term": 0.783, "target_engagement": 0.495}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.582, "cyp3a4-substrate-carbonmangels": 0.141, "ld50-zhu": 0.354, "herg": 0.254, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.617, "novelty": 0.383}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "2", "pAct_q10": 5.320014828013575, "aff_pf": -0.48540501793225604, "aff_hs": 1.080571452776591, "repeats_pf": {"runs": 3, "values": [-0.4786, -0.4451, -0.5325], "mean": -0.4854, "spread": 0.0875}, "repeats_hs": {"runs": 3, "values": [1.1571, 1.0195, 1.0651], "mean": 1.0806, "spread": 0.1376}, "at": 1786983636}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979578, "scored_at": 1786983636, "alerts": [], "rank": 3346}, {"candidate_id": "ODC-436734", "res_at": 1788051123, "skeleton": "PGBJWPMYSLIKAU", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 37.546, "axes": {"activity": 14.7, "binding": 10.04, "selectivity": 4.22, "admet": 5.17, "novelty": 1.4, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.51, "LE": 0.387, "potency_term": 0.502, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.421, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.687, "per_endpoint": {"solubility-aqsoldb": 0.56, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.905, "cyp3a4-substrate-carbonmangels": 0.749, "ld50-zhu": 0.346, "herg": 1.0, "dili": 0.234}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.4817001102144625, "aff_pf": -0.5053256452083588, "aff_hs": 0.33663015564282733, "repeats_pf": {"runs": 3, "values": [-0.5328, -0.4772, -0.506], "mean": -0.5053, "spread": 0.0557}, "repeats_hs": {"runs": 3, "values": [0.184, 0.4492, 0.3767], "mean": 0.3366, "spread": 0.2652}, "at": 1788051123}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.367, "total_ci95": [36.855, 38.248], "relegate_reason": [], "submitted_at": 1788003347, "scored_at": 1788051123, "rank": 3347}, {"candidate_id": "ODC-F10C08", "res_at": 1789951509, "skeleton": "AXERVGVLKNBYQY", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········nc2n1", "total": 37.545, "axes": {"activity": 15.8, "binding": 7.15, "selectivity": 5.59, "admet": 3.43, "novelty": 3.4, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.548, "fraction": 0.527}, "binding": {"pIC50": 6.3, "LE": 0.247, "potency_term": 0.435, "efficiency_cap": 0.822}, "selectivity": {"fold": 19.3, "selectivity_term": 0.643, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.072, "cyp3a4-substrate-carbonmangels": 0.974, "ld50-zhu": 0.833, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.54794219792006, "aff_pf": -0.3036770323912303, "aff_hs": 0.9818876385688782, "repeats_pf": {"runs": 3, "values": [-0.2757, -0.2919, -0.3434], "mean": -0.3037, "spread": 0.0677}, "repeats_hs": {"runs": 3, "values": [1.1143, 0.694, 1.1374], "mean": 0.9819, "spread": 0.4434}, "at": 1789951509}, "tier": 1, "alerts": [], "total_sd": 0.585, "total_ci95": [36.294, 38.511], "relegate_reason": [], "submitted_at": 1789837495, "scored_at": 1789951509, "rank": 3348}, {"candidate_id": "ODC-905504", "res_at": 1786871714, "skeleton": "FFGXTESORBWMHB", "hf_user": "DOATC", "display_name": "SOL_AGG_RET_02", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)c1Br", "total": 37.541, "axes": {"activity": 8.46, "binding": 13.13, "selectivity": 6.55, "admet": 3.56, "novelty": 2.8, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.107, "fraction": 0.282}, "binding": {"pIC50": 6.97, "LE": 0.415, "potency_term": 0.656, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.499, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.192, "ld50-zhu": 0.449, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 5.10732903873021, "aff_pf": -0.969188412030538, "aff_hs": 0.028507227698961895, "repeats_pf": {"runs": 3, "values": [-0.9445, -1.0577, -0.9053], "mean": -0.9692, "spread": 0.1525}, "repeats_hs": {"runs": 3, "values": [0.006, 0.0369, 0.0426], "mean": 0.0285, "spread": 0.0366}, "at": 1786871714}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865526, "scored_at": 1786871714, "alerts": [], "rank": 3349}, {"candidate_id": "ODC-EF478F", "res_at": 1787871832, "skeleton": "MUMCPGCVVFKMRQ", "hf_user": "Bio-JS", "display_name": "테트라하이드로피란-4-일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.506, "axes": {"activity": 17.58, "binding": 6.27, "selectivity": 4.61, "admet": 2.58, "novelty": 3.88, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.655, "fraction": 0.586}, "binding": {"pIC50": 6.22, "LE": 0.23, "potency_term": 0.408, "efficiency_cap": 0.768}, "selectivity": {"fold": 13.5, "selectivity_term": 0.564, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.381, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.373, "herg": 0.05, "dili": 0.154}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.654690235654165, "aff_pf": -0.22404746214548746, "aff_hs": 0.9048809806505839, "repeats_pf": {"runs": 3, "values": [-0.4534, 0.1073, -0.326], "mean": -0.224, "spread": 0.5607}, "repeats_hs": {"runs": 3, "values": [0.872, 0.9434, 0.8993], "mean": 0.9049, "spread": 0.0714}, "at": 1787868833}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813196, "scored_at": 1787868833, "alerts": [], "rank": 3350}, {"candidate_id": "ODC-DF1917", "res_at": 1786900494, "skeleton": "FDADCNRSSVZKLR", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········1CCC1", "total": 37.502, "axes": {"activity": 14.08, "binding": 11.33, "selectivity": 3.38, "admet": 2.84, "novelty": 3.49, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.445, "fraction": 0.469}, "binding": {"pIC50": 6.7, "LE": 0.328, "potency_term": 0.567, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.299, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.999, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.291, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "2", "pAct_q10": 5.444804814143996, "aff_pf": -0.700242837270101, "aff_hs": -0.1031042809287707, "repeats_pf": {"runs": 3, "values": [-0.7565, -0.6244, -0.7197], "mean": -0.7002, "spread": 0.1321}, "repeats_hs": {"runs": 3, "values": [0.131, 0.1034, -0.5437], "mean": -0.1031, "spread": 0.6747}, "at": 1786900494}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899109, "scored_at": 1786900494, "alerts": [], "rank": 3351}, {"candidate_id": "ODC-F900C3", "res_at": 1786985988, "skeleton": "DGYAEYFXYHNMAQ", "hf_user": "1Dmeds", "display_name": "ODC26-R7D-03", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.495, "axes": {"activity": 9.94, "binding": 13.03, "selectivity": 3.41, "admet": 4.39, "novelty": 4.01, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.197, "fraction": 0.331}, "binding": {"pIC50": 6.95, "LE": 0.381, "potency_term": 0.651, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.554, "ld50-zhu": 0.695, "herg": 0.279, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.196524483383959, "aff_pf": -0.9540995359420776, "aff_hs": -0.43060081203778583, "repeats_pf": {"runs": 3, "values": [-0.8135, -1.0129, -1.0359], "mean": -0.9541, "spread": 0.2225}, "repeats_hs": {"runs": 3, "values": [-0.3235, -0.4446, -0.5237], "mean": -0.4306, "spread": 0.2001}, "at": 1786985988}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980972, "scored_at": 1786985988, "alerts": [], "rank": 3352}, {"candidate_id": "ODC-EB8AC3", "res_at": 1787418709, "skeleton": "LKWUMMBAVYMIIJ", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R15", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········)n2n1", "total": 37.47, "axes": {"activity": 22.57, "binding": 2.79, "selectivity": 0.62, "admet": 3.66, "novelty": 4.38, "synthesis": 3.45}, "detail": {"activity": {"pAct_q10": 5.954, "fraction": 0.752}, "binding": {"pIC50": 5.47, "LE": 0.268, "potency_term": 0.156, "efficiency_cap": 0.892}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.463, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.869, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.954261259996002, "aff_pf": 0.5315849383672079, "aff_hs": 0.9293353160222372, "repeats_pf": {"runs": 3, "values": [0.5074, 0.5831, 0.5043], "mean": 0.5316, "spread": 0.0788}, "repeats_hs": {"runs": 3, "values": [0.8263, 0.9531, 1.0086], "mean": 0.9293, "spread": 0.1823}, "at": 1787418709}, "tier": 1, "relegate_reason": [], "submitted_at": 1787412557, "scored_at": 1787418709, "alerts": [], "rank": 3353}, {"candidate_id": "ODC-C9A0F1", "res_at": 1787272625, "skeleton": "SYYPNRREXQNYMM", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R05", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 37.465, "axes": {"activity": 18.8, "binding": 5.49, "selectivity": 3.45, "admet": 2.57, "novelty": 4.2, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.728, "fraction": 0.627}, "binding": {"pIC50": 6.02, "LE": 0.242, "potency_term": 0.339, "efficiency_cap": 0.808}, "selectivity": {"fold": 10.4, "selectivity_term": 0.508, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.323, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.635, "herg": 0.05, "dili": 0.326}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.727956947209327, "aff_pf": -0.01807900269826253, "aff_hs": 0.9984509150187174, "repeats_pf": {"runs": 3, "values": [-0.0741, 0.0183, 0.0016], "mean": -0.0181, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [0.9548, 0.9593, 1.0812], "mean": 0.9985, "spread": 0.1263}, "at": 1787272625}, "tier": 1, "relegate_reason": [], "submitted_at": 1787271884, "scored_at": 1787272625, "alerts": [], "rank": 3354}, {"candidate_id": "ODC-DF00D8", "res_at": 1789627176, "skeleton": "VJDKJJJPPIUMPT", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)c1··········)(F)F", "total": 37.465, "axes": {"activity": 15.43, "binding": 10.5, "selectivity": 3.73, "admet": 3.11, "novelty": 3.72, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.526, "fraction": 0.514}, "binding": {"pIC50": 6.74, "LE": 0.272, "potency_term": 0.58, "efficiency_cap": 0.905}, "selectivity": {"fold": 4.4, "selectivity_term": 0.321, "target_engagement": 0.58}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.311, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.631, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 4.7}}, "run": {"gpu": "0", "pAct_q10": 5.5260111288064975, "aff_pf": -0.7395488023757935, "aff_hs": -0.09679260104894638, "repeats_pf": {"runs": 3, "values": [-0.7881, -0.7154, -0.7151], "mean": -0.7395, "spread": 0.073}, "repeats_hs": {"runs": 3, "values": [-0.1353, -0.0867, -0.0684], "mean": -0.0968, "spread": 0.0668}, "at": 1789627176}, "tier": 1, "alerts": [], "total_sd": 0.426, "total_ci95": [36.825, 38.505], "relegate_reason": [], "submitted_at": 1789624319, "scored_at": 1789627176, "rank": 3355}, {"candidate_id": "ODC-6E85D1", "res_at": 1787017846, "skeleton": "CTPCEXCKTBWWOB", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 37.458, "axes": {"activity": 12.61, "binding": 10.83, "selectivity": 6.3, "admet": 2.68, "novelty": 2.71, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.42}, "binding": {"pIC50": 6.62, "LE": 0.349, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.581, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.507, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.356785479485112, "aff_pf": -0.6246671477953593, "aff_hs": 0.5381847222646078, "repeats_pf": {"runs": 3, "values": [-0.7235, -0.5645, -0.586], "mean": -0.6247, "spread": 0.159}, "repeats_hs": {"runs": 3, "values": [0.5436, 0.5582, 0.5128], "mean": 0.5382, "spread": 0.0453}, "at": 1787017846}, "tier": 1, "relegate_reason": [], "submitted_at": 1787017574, "scored_at": 1787017846, "alerts": [], "rank": 3356}, {"candidate_id": "ODC-952D28", "res_at": 1789062800, "skeleton": "BHUUXQCETYZBSP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········c1C#N", "total": 37.449, "axes": {"activity": 18.35, "binding": 8.43, "selectivity": 1.06, "admet": 2.67, "novelty": 4.19, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.701, "fraction": 0.612}, "binding": {"pIC50": 6.46, "LE": 0.26, "potency_term": 0.486, "efficiency_cap": 0.867}, "selectivity": {"fold": 1.7, "selectivity_term": 0.109, "target_engagement": 0.486}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.189, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.700845379817955, "aff_pf": -0.45728878180185956, "aff_hs": -0.23975984255472818, "repeats_pf": {"runs": 3, "values": [-0.4442, -0.5349, -0.3928], "mean": -0.4573, "spread": 0.1421}, "repeats_hs": {"runs": 3, "values": [-0.1433, -0.4043, -0.1717], "mean": -0.2398, "spread": 0.261}, "at": 1789062800}, "tier": 1, "alerts": [], "total_sd": 0.524, "total_ci95": [36.606, 38.495], "relegate_reason": [], "submitted_at": 1789045834, "scored_at": 1789062800, "rank": 3357}, {"candidate_id": "ODC-96D035", "res_at": 1787567419, "skeleton": "UUMPDYNICBOQGJ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.448, "axes": {"activity": 16.34, "binding": 7.13, "selectivity": 5.56, "admet": 2.34, "novelty": 3.63, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.545}, "binding": {"pIC50": 6.33, "LE": 0.241, "potency_term": 0.444, "efficiency_cap": 0.803}, "selectivity": {"fold": 17.9, "selectivity_term": 0.627, "target_engagement": 0.444}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.389, "herg": 0.05, "dili": 0.443}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.58021095124136, "aff_pf": -0.3314221203327179, "aff_hs": 0.9217154383659363, "repeats_pf": {"runs": 3, "values": [-0.0784, -0.5296, -0.3863], "mean": -0.3314, "spread": 0.4512}, "repeats_hs": {"runs": 3, "values": [0.8937, 1.0092, 0.8623], "mean": 0.9217, "spread": 0.1468}, "at": 1787567419}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557312, "scored_at": 1787567419, "alerts": [], "rank": 3358}, {"candidate_id": "ODC-4F43CD", "res_at": 1789996000, "skeleton": "XTXOCPCNGRVVGL", "hf_user": "Bio-JS", "display_name": "0921-S1-13", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········cc1Cl", "total": 37.445, "axes": {"activity": 12.2, "binding": 13.7, "selectivity": 2.0, "admet": 4.0, "novelty": 2.54, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.407}, "binding": {"pIC50": 7.06, "LE": 0.372, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.146, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.177, "cyp3a4-substrate-carbonmangels": 0.3, "ld50-zhu": 0.656, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.63, "novelty": 0.37}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.331754439093079, "aff_pf": -1.0555569330851238, "aff_hs": -0.7631107370058695, "repeats_pf": {"runs": 3, "values": [-1.036, -1.0717, -1.0589], "mean": -1.0556, "spread": 0.0357}, "repeats_hs": {"runs": 3, "values": [-0.8119, -0.7116, -0.7659], "mean": -0.7631, "spread": 0.1003}, "at": 1789996000}, "tier": 1, "alerts": [], "total_sd": 0.232, "total_ci95": [37.03, 37.903], "relegate_reason": [], "submitted_at": 1789990098, "scored_at": 1789996000, "rank": 3359}, {"candidate_id": "ODC-356190", "res_at": 1787130197, "skeleton": "JGSVLGFHYTUMDM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········3)CC1", "total": 37.44, "axes": {"activity": 15.16, "binding": 10.38, "selectivity": 3.11, "admet": 3.14, "novelty": 3.31, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.505}, "binding": {"pIC50": 6.68, "LE": 0.277, "potency_term": 0.561, "efficiency_cap": 0.925}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.377, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.737, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.509501422839079, "aff_pf": -0.6830905079841614, "aff_hs": -0.12943927695353827, "repeats_pf": {"runs": 3, "values": [-0.6903, -0.6154, -0.7436], "mean": -0.6831, "spread": 0.1282}, "repeats_hs": {"runs": 3, "values": [-0.1151, -0.1995, -0.0738], "mean": -0.1294, "spread": 0.1257}, "at": 1787130197}, "tier": 1, "relegate_reason": [], "submitted_at": 1787118950, "scored_at": 1787130197, "alerts": [], "rank": 3360}, {"candidate_id": "ODC-F45E4E", "res_at": 1786865532, "skeleton": "UTVFHBISOPZSHA", "hf_user": "choa712", "display_name": "CODEX-R2-03", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)c1Br", "total": 37.437, "axes": {"activity": 8.64, "binding": 14.54, "selectivity": 3.87, "admet": 3.89, "novelty": 3.25, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.118, "fraction": 0.288}, "binding": {"pIC50": 7.18, "LE": 0.428, "potency_term": 0.727, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.727}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.92, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.495, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "2", "pAct_q10": 5.118336605474519, "aff_pf": -1.181125322977702, "aff_hs": -0.6494508981704712, "repeats_pf": {"runs": 3, "values": [-1.1286, -1.2084, -1.2064], "mean": -1.1811, "spread": 0.0799}, "repeats_hs": {"runs": 3, "values": [-0.7034, -0.6325, -0.6125], "mean": -0.6495, "spread": 0.0909}, "at": 1786865532}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855456, "scored_at": 1786865532, "alerts": [], "rank": 3361}, {"candidate_id": "ODC-130505", "res_at": 1786839340, "skeleton": "RMJIBBSONOQJRQ", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.432, "axes": {"activity": 13.71, "binding": 11.89, "selectivity": 3.82, "admet": 3.16, "novelty": 2.21, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.78, "LE": 0.332, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.321, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.618, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.537, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.629, "novelty": 0.371}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.422415780865232, "aff_pf": -0.7836923201878866, "aff_hs": -0.14131398995717367, "repeats_pf": {"runs": 3, "values": [-0.697, -0.8469, -0.8072], "mean": -0.7837, "spread": 0.1499}, "repeats_hs": {"runs": 3, "values": [-0.1403, -0.1927, -0.0909], "mean": -0.1413, "spread": 0.1017}, "at": 1786839340}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805242, "scored_at": 1786839340, "alerts": [], "rank": 3362}, {"candidate_id": "ODC-B282EE", "res_at": 1786840041, "skeleton": "IUZRHCMXAJXJMQ", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 37.426, "axes": {"activity": 13.65, "binding": 11.8, "selectivity": 3.18, "admet": 3.53, "novelty": 2.66, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.419, "fraction": 0.455}, "binding": {"pIC50": 6.77, "LE": 0.343, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.269, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.645, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.734, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "1", "pAct_q10": 5.418949761690174, "aff_pf": -0.7695329387982687, "aff_hs": -0.2307986617088318, "repeats_pf": {"runs": 3, "values": [-0.7947, -0.7698, -0.7441], "mean": -0.7695, "spread": 0.0505}, "repeats_hs": {"runs": 3, "values": [-0.1929, -0.3635, -0.1361], "mean": -0.2308, "spread": 0.2274}, "at": 1786840041}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805240, "scored_at": 1786840041, "alerts": [], "rank": 3363}, {"candidate_id": "ODC-72A298", "res_at": 1789110673, "skeleton": "GBXOJNRTNCSRAF", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.426, "axes": {"activity": 13.77, "binding": 10.51, "selectivity": 5.16, "admet": 3.21, "novelty": 2.71, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 6.58, "LE": 0.347, "potency_term": 0.525, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.634, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.414, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.426471615059639, "aff_pf": -0.5763946970303854, "aff_hs": 0.4064855674902598, "repeats_pf": {"runs": 3, "values": [-0.583, -0.5507, -0.5954], "mean": -0.5764, "spread": 0.0447}, "repeats_hs": {"runs": 3, "values": [0.4071, 0.3407, 0.4716], "mean": 0.4065, "spread": 0.1309}, "at": 1789110673}, "tier": 1, "alerts": [], "total_sd": 0.264, "total_ci95": [36.797, 37.93], "relegate_reason": [], "submitted_at": 1789094333, "scored_at": 1789110673, "rank": 3364}, {"candidate_id": "ODC-ED5CAE", "res_at": 1786901879, "skeleton": "XYOCJJPOQDPRQU", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.408, "axes": {"activity": 12.61, "binding": 12.42, "selectivity": 4.8, "admet": 3.02, "novelty": 1.91, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.42}, "binding": {"pIC50": 6.86, "LE": 0.303, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.386, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.999, "cyp2c9-veith": 0.118, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.692, "novelty": 0.308}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.356616331636225, "aff_pf": -0.8635687033335367, "aff_hs": -0.0906485269467036, "repeats_pf": {"runs": 3, "values": [-0.7996, -0.9609, -0.8302], "mean": -0.8636, "spread": 0.1613}, "repeats_hs": {"runs": 3, "values": [-0.0844, -0.0271, -0.1605], "mean": -0.0906, "spread": 0.1334}, "at": 1786901879}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888089, "scored_at": 1786901879, "alerts": [], "rank": 3365}, {"candidate_id": "ODC-6AC95B", "res_at": 1789108000, "skeleton": "OQMIWVIGBLGVMH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 37.408, "axes": {"activity": 15.79, "binding": 9.46, "selectivity": 2.7, "admet": 3.58, "novelty": 3.88, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.548, "fraction": 0.526}, "binding": {"pIC50": 6.42, "LE": 0.338, "potency_term": 0.473, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.507, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.547661367180226, "aff_pf": -0.41879063844680786, "aff_hs": 0.15247952938079834, "repeats_pf": {"runs": 3, "values": [-0.3762, -0.4741, -0.406], "mean": -0.4188, "spread": 0.0978}, "repeats_hs": {"runs": 3, "values": [0.1626, 0.2457, 0.0492], "mean": 0.1525, "spread": 0.1965}, "at": 1789108000}, "tier": 1, "alerts": [], "total_sd": 0.406, "total_ci95": [36.803, 38.296], "relegate_reason": [], "submitted_at": 1789093834, "scored_at": 1789108000, "rank": 3366}, {"candidate_id": "ODC-0440C1", "res_at": 1787606055, "skeleton": "INDFEMRNLJXPTO", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········2)cc1", "total": 37.406, "axes": {"activity": 18.78, "binding": 7.35, "selectivity": 1.65, "admet": 2.55, "novelty": 4.33, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.727, "fraction": 0.626}, "binding": {"pIC50": 6.4, "LE": 0.237, "potency_term": 0.465, "efficiency_cap": 0.789}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.465}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.408, "herg": 0.05, "dili": 0.306}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.726538408010287, "aff_pf": -0.3957432409127553, "aff_hs": -0.0410607581337293, "repeats_pf": {"runs": 3, "values": [-0.3109, -0.757, -0.1194], "mean": -0.3957, "spread": 0.6376}, "repeats_hs": {"runs": 3, "values": [-0.3506, 0.1157, 0.1117], "mean": -0.0411, "spread": 0.4663}, "at": 1787606055}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605270, "scored_at": 1787606055, "alerts": [], "rank": 3367}, {"candidate_id": "ODC-A55B4F", "res_at": 1788234141, "skeleton": "OCBWNYVXIIFTJY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 37.401, "axes": {"activity": 12.29, "binding": 10.96, "selectivity": 3.9, "admet": 4.21, "novelty": 3.85, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 6.64, "LE": 0.325, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.356, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.606, "cyp3a4-substrate-carbonmangels": 0.275, "ld50-zhu": 0.618, "herg": 0.185, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.337669354824359, "aff_pf": -0.644224206606547, "aff_hs": 0.0671691745519638, "repeats_pf": {"runs": 3, "values": [-0.6592, -0.624, -0.6494], "mean": -0.6442, "spread": 0.0352}, "repeats_hs": {"runs": 3, "values": [0.0359, 0.0586, 0.107], "mean": 0.0672, "spread": 0.0711}, "at": 1788234141}, "tier": 1, "alerts": [], "total_sd": 0.211, "total_ci95": [36.982, 37.775], "relegate_reason": [], "submitted_at": 1788189860, "scored_at": 1788234141, "rank": 3368}, {"candidate_id": "ODC-B332E5", "res_at": 1788606272, "skeleton": "GROLKDMOBHZHCG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.394, "axes": {"activity": 17.75, "binding": 8.7, "selectivity": 1.27, "admet": 3.62, "novelty": 3.37, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.665, "fraction": 0.592}, "binding": {"pIC50": 6.3, "LE": 0.32, "potency_term": 0.435, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.146, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.846, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.665052866257995, "aff_pf": -0.3045051594575246, "aff_hs": -0.013287628690401712, "repeats_pf": {"runs": 3, "values": [-0.2126, -0.3344, -0.3665], "mean": -0.3045, "spread": 0.1539}, "repeats_hs": {"runs": 3, "values": [-0.111, 0.0719, -0.0007], "mean": -0.0133, "spread": 0.1829}, "at": 1788606272}, "tier": 1, "alerts": [], "total_sd": 0.52, "total_ci95": [36.321, 38.317], "relegate_reason": [], "submitted_at": 1788583520, "scored_at": 1788606272, "rank": 3369}, {"candidate_id": "ODC-83A3E5", "res_at": 1787650903, "skeleton": "ASPUDWFDNMGMJE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c([C··········(F)C1", "total": 37.389, "axes": {"activity": 10.88, "binding": 11.11, "selectivity": 6.85, "admet": 4.83, "novelty": 1.73, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 6.67, "LE": 0.351, "potency_term": 0.555, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.1, "selectivity_term": 0.617, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.235, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.689, "novelty": 0.311}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.252646945287867, "aff_pf": -0.6663830280303955, "aff_hs": 0.5675539573033651, "repeats_pf": {"runs": 3, "values": [-0.7022, -0.6059, -0.6911], "mean": -0.6664, "spread": 0.0963}, "repeats_hs": {"runs": 3, "values": [0.546, 0.7508, 0.4059], "mean": 0.5676, "spread": 0.3449}, "at": 1787650903}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643694, "scored_at": 1787650903, "alerts": [], "rank": 3370}, {"candidate_id": "ODC-111B8C", "res_at": 1786952737, "skeleton": "DKWHMILSFJTKNQ", "hf_user": "tteggu", "display_name": "DuckCrab", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1N", "total": 37.375, "axes": {"activity": 13.81, "binding": 9.53, "selectivity": 7.16, "admet": 3.5, "novelty": 1.71, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.429, "fraction": 0.46}, "binding": {"pIC50": 6.43, "LE": 0.315, "potency_term": 0.476, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.8, "selectivity_term": 0.751, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.373, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.599, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.642, "novelty": 0.358}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "2", "pAct_q10": 5.428663066424222, "aff_pf": -0.42879457275072735, "aff_hs": 1.0737789074579875, "repeats_pf": {"runs": 3, "values": [-0.4168, -0.5268, -0.3428], "mean": -0.4288, "spread": 0.1839}, "repeats_hs": {"runs": 3, "values": [1.1836, 0.9663, 1.0714], "mean": 1.0738, "spread": 0.2173}, "at": 1786952737}, "tier": 1, "relegate_reason": [], "submitted_at": 1786951025, "scored_at": 1786952737, "alerts": [], "rank": 3371}, {"candidate_id": "ODC-FDEBA5", "res_at": 1787156588, "skeleton": "DWJBVDRUQYLXLP", "hf_user": "takutoyo", "display_name": "PfD8-B8", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.364, "axes": {"activity": 19.09, "binding": 9.14, "selectivity": 0.0, "admet": 3.16, "novelty": 3.34, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.746, "fraction": 0.636}, "binding": {"pIC50": 6.37, "LE": 0.323, "potency_term": 0.457, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.457}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.815, "ld50-zhu": 0.793, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.745505455755961, "aff_pf": -0.3709508677323659, "aff_hs": -0.5902170141537985, "repeats_pf": {"runs": 3, "values": [-0.3637, -0.3803, -0.3688], "mean": -0.371, "spread": 0.0165}, "repeats_hs": {"runs": 3, "values": [-0.5971, -0.6414, -0.5321], "mean": -0.5902, "spread": 0.1093}, "at": 1787156588}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148156, "scored_at": 1787156588, "alerts": [], "rank": 3372}, {"candidate_id": "ODC-C07BB9", "res_at": 1789538338, "skeleton": "MSEMKJUIAGVOHW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.363, "axes": {"activity": 13.69, "binding": 11.21, "selectivity": 3.83, "admet": 3.39, "novelty": 2.76, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.456}, "binding": {"pIC50": 6.68, "LE": 0.366, "potency_term": 0.561, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.561}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.421582352890703, "aff_pf": -0.6816490292549133, "aff_hs": 0.0021033833424250283, "repeats_pf": {"runs": 3, "values": [-0.6935, -0.8413, -0.5102], "mean": -0.6816, "spread": 0.3311}, "repeats_hs": {"runs": 3, "values": [0.0474, 0.1522, -0.1933], "mean": 0.0021, "spread": 0.3455}, "at": 1789538338}, "tier": 1, "alerts": [], "total_sd": 1.591, "total_ci95": [34.49, 40.264], "relegate_reason": [], "submitted_at": 1789525162, "scored_at": 1789538338, "rank": 3373}, {"candidate_id": "ODC-38B07E", "res_at": 1787646406, "skeleton": "ROWKTAXIOXGPEV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········)CC1F", "total": 37.36, "axes": {"activity": 10.37, "binding": 12.62, "selectivity": 3.58, "admet": 5.03, "novelty": 4.83, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.346}, "binding": {"pIC50": 6.89, "LE": 0.326, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.9, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.235, "novelty": 0.765}, "synthesis": {"sa_score": 4.97}}, "run": {"gpu": "3", "pAct_q10": 5.222057822369013, "aff_pf": -0.8936870296796163, "aff_hs": -0.3270924786726634, "repeats_pf": {"runs": 3, "values": [-0.6064, -0.9541, -1.1205], "mean": -0.8937, "spread": 0.5141}, "repeats_hs": {"runs": 3, "values": [-0.3039, -0.2938, -0.3836], "mean": -0.3271, "spread": 0.0898}, "at": 1787646406}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641346, "scored_at": 1787646406, "alerts": [], "rank": 3374}, {"candidate_id": "ODC-8E46C2", "res_at": 1787871729, "skeleton": "ZIQBTFRJEOZOCG", "hf_user": "Moonweave", "display_name": "M5AI-F12-AMD-04", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 37.353, "axes": {"activity": 14.63, "binding": 11.07, "selectivity": 3.59, "admet": 2.02, "novelty": 3.56, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 6.73, "LE": 0.288, "potency_term": 0.576, "efficiency_cap": 0.96}, "selectivity": {"fold": 4.2, "selectivity_term": 0.311, "target_engagement": 0.576}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.455}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.4779704502027045, "aff_pf": -0.7294307549794515, "aff_hs": -0.10737850268681844, "repeats_pf": {"runs": 3, "values": [-0.732, -0.7439, -0.7124], "mean": -0.7294, "spread": 0.0315}, "repeats_hs": {"runs": 3, "values": [-0.1418, -0.059, -0.1213], "mean": -0.1074, "spread": 0.0828}, "at": 1787846764}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791030, "scored_at": 1787846764, "alerts": [], "rank": 3375}, {"candidate_id": "ODC-BC15C1", "res_at": 1786871529, "skeleton": "FZHFWSADRXTJKF", "hf_user": "DOATC", "display_name": "SOL_OPENAI_RETAKE_05", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Br", "total": 37.329, "axes": {"activity": 9.87, "binding": 13.53, "selectivity": 4.1, "admet": 4.21, "novelty": 2.54, "synthesis": 3.09}, "detail": {"activity": {"pAct_q10": 5.192, "fraction": 0.329}, "binding": {"pIC50": 7.03, "LE": 0.401, "potency_term": 0.677, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.303, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.388, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.191919777885947, "aff_pf": -1.0297144254048665, "aff_hs": -0.42418239514033, "repeats_pf": {"runs": 3, "values": [-1.014, -1.0405, -1.0346], "mean": -1.0297, "spread": 0.0265}, "repeats_hs": {"runs": 3, "values": [-0.4371, -0.4018, -0.4336], "mean": -0.4242, "spread": 0.0354}, "at": 1786871529}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865184, "scored_at": 1786871529, "alerts": [], "rank": 3376}, {"candidate_id": "ODC-741756", "res_at": 1787014679, "skeleton": "VVQVTHZFFKZFPK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.326, "axes": {"activity": 21.76, "binding": 3.92, "selectivity": 0.3, "admet": 4.26, "novelty": 3.99, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.906, "fraction": 0.725}, "binding": {"pIC50": 5.64, "LE": 0.276, "potency_term": 0.213, "efficiency_cap": 0.92}, "selectivity": {"fold": 1.4, "selectivity_term": 0.07, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.192, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.537, "herg": 0.093, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.905887034591501, "aff_pf": 0.3607331911722819, "aff_hs": 0.501433273156484, "repeats_pf": {"runs": 3, "values": [0.6176, 0.4855, -0.0208], "mean": 0.3607, "spread": 0.6384}, "repeats_hs": {"runs": 3, "values": [0.5691, 0.28, 0.6551], "mean": 0.5014, "spread": 0.3751}, "at": 1787014679}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013618, "scored_at": 1787014679, "alerts": [], "rank": 3377}, {"candidate_id": "ODC-5D4A7D", "res_at": 1789062039, "skeleton": "ZTHACFHXJWZACL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 37.321, "axes": {"activity": 12.02, "binding": 11.69, "selectivity": 4.3, "admet": 4.42, "novelty": 2.34, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.401}, "binding": {"pIC50": 6.75, "LE": 0.386, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.368, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.491, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.521, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.722, "herg": 0.392, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.321446855856976, "aff_pf": -0.7534265319506327, "aff_hs": -0.01793329914410909, "repeats_pf": {"runs": 3, "values": [-0.6567, -0.7963, -0.8073], "mean": -0.7534, "spread": 0.1507}, "repeats_hs": {"runs": 3, "values": [0.0752, -0.0995, -0.0295], "mean": -0.0179, "spread": 0.1747}, "at": 1789062039}, "tier": 1, "alerts": [], "total_sd": 0.812, "total_ci95": [35.713, 38.621], "relegate_reason": [], "submitted_at": 1789041543, "scored_at": 1789062039, "rank": 3378}, {"candidate_id": "ODC-1319A6", "res_at": 1787621109, "skeleton": "ZLAXVCJMVBBXSI", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 4-메틸-2-옥소피롤리딘-4-일 (감마락탐, 유리 NH)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.291, "axes": {"activity": 21.47, "binding": 4.1, "selectivity": 1.31, "admet": 3.01, "novelty": 4.95, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.888, "fraction": 0.716}, "binding": {"pIC50": 5.87, "LE": 0.212, "potency_term": 0.29, "efficiency_cap": 0.706}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.361, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.376, "herg": 0.05, "dili": 0.319}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.888239844221681, "aff_pf": 0.12918570140997568, "aff_hs": 0.5811135371526083, "repeats_pf": {"runs": 3, "values": [0.1745, 0.2863, -0.0732], "mean": 0.1292, "spread": 0.3596}, "repeats_hs": {"runs": 3, "values": [0.5489, 0.5721, 0.6223], "mean": 0.5811, "spread": 0.0734}, "at": 1787621109}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618687, "scored_at": 1787621109, "alerts": [], "rank": 3379}, {"candidate_id": "ODC-DDE349", "res_at": 1787445543, "skeleton": "MZAFDDYAAVLYPF", "hf_user": "Ku-ku", "display_name": "KK-M-0823-07", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.287, "axes": {"activity": 14.73, "binding": 9.24, "selectivity": 4.99, "admet": 3.77, "novelty": 2.37, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.484, "fraction": 0.491}, "binding": {"pIC50": 6.39, "LE": 0.398, "potency_term": 0.462, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.462}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.572, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.545, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.429, "herg": 0.269, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.483670193769125, "aff_pf": -0.3854978183905284, "aff_hs": 0.6959486206372579, "repeats_pf": {"runs": 3, "values": [-0.3546, -0.3625, -0.4394], "mean": -0.3855, "spread": 0.0847}, "repeats_hs": {"runs": 3, "values": [0.6686, 0.7118, 0.7075], "mean": 0.6959, "spread": 0.0432}, "at": 1787445543}, "tier": 1, "relegate_reason": [], "submitted_at": 1787443766, "scored_at": 1787445543, "alerts": [], "rank": 3380}, {"candidate_id": "ODC-9150B9", "res_at": 1787929737, "skeleton": "SEFQFEQOGRHPJP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.273, "axes": {"activity": 13.73, "binding": 10.17, "selectivity": 5.87, "admet": 3.42, "novelty": 1.76, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 6.53, "LE": 0.358, "potency_term": 0.509, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.3, "selectivity_term": 0.577, "target_engagement": 0.509}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.443, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.423522464396593, "aff_pf": -0.5257903734842936, "aff_hs": 0.6286328434944153, "repeats_pf": {"runs": 3, "values": [-0.5054, -0.5673, -0.5047], "mean": -0.5258, "spread": 0.0626}, "repeats_hs": {"runs": 3, "values": [0.6588, 0.5585, 0.6686], "mean": 0.6286, "spread": 0.1101}, "at": 1787929737}, "tier": 1, "relegate_reason": [], "submitted_at": 1787899307, "scored_at": 1787929737, "alerts": [], "rank": 3381}, {"candidate_id": "ODC-2FDAAB", "res_at": 1786832719, "skeleton": "OTHPQNJOXRNDMA", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1C", "total": 37.262, "axes": {"activity": 11.42, "binding": 11.67, "selectivity": 5.43, "admet": 3.88, "novelty": 2.05, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.381}, "binding": {"pIC50": 6.75, "LE": 0.385, "potency_term": 0.583, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.465, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.912, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.086, "ld50-zhu": 0.333, "herg": 0.353, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "1", "pAct_q10": 5.285489658983298, "aff_pf": -0.7501882910728455, "aff_hs": 0.18052400648593903, "repeats_pf": {"runs": 3, "values": [-0.7678, -0.6915, -0.7913], "mean": -0.7502, "spread": 0.0998}, "repeats_hs": {"runs": 3, "values": [0.3038, 0.0774, 0.1603], "mean": 0.1805, "spread": 0.2264}, "at": 1786832719}, "tier": 1, "relegate_reason": [], "submitted_at": 1786796989, "scored_at": 1786832719, "alerts": [], "rank": 3382}, {"candidate_id": "ODC-33E571", "res_at": 1788172671, "skeleton": "CTCOIXFRHLNVGK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 37.262, "axes": {"activity": 12.52, "binding": 10.95, "selectivity": 3.84, "admet": 4.53, "novelty": 3.57, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.64, "LE": 0.364, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.234, "ld50-zhu": 0.742, "herg": 0.539, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "0", "pAct_q10": 5.351273919848234, "aff_pf": -0.6430078546206156, "aff_hs": 0.057958180705706276, "repeats_pf": {"runs": 3, "values": [-0.6391, -0.6939, -0.596], "mean": -0.643, "spread": 0.0979}, "repeats_hs": {"runs": 3, "values": [0.0154, 0.0866, 0.0719], "mean": 0.058, "spread": 0.0712}, "at": 1788172671}, "tier": 1, "alerts": [], "total_sd": 0.463, "total_ci95": [36.405, 38.068], "relegate_reason": [], "submitted_at": 1788172495, "scored_at": 1788172671, "rank": 3383}, {"candidate_id": "ODC-024F44", "res_at": 1786833269, "skeleton": "GSBJYISAIYLLBV", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········3)cc1", "total": 37.247, "axes": {"activity": 11.51, "binding": 11.46, "selectivity": 5.79, "admet": 4.4, "novelty": 1.25, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.291, "fraction": 0.384}, "binding": {"pIC50": 6.72, "LE": 0.418, "potency_term": 0.573, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.266, "herg": 0.649, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.783, "novelty": 0.217}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "1", "pAct_q10": 5.290732164502002, "aff_pf": -0.7185393969217936, "aff_hs": 0.291497270266215, "repeats_pf": {"runs": 3, "values": [-0.7945, -0.6716, -0.6895], "mean": -0.7185, "spread": 0.1229}, "repeats_hs": {"runs": 3, "values": [0.3068, 0.2421, 0.3256], "mean": 0.2915, "spread": 0.0836}, "at": 1786833269}, "tier": 1, "relegate_reason": [], "submitted_at": 1786797020, "scored_at": 1786833269, "alerts": [], "rank": 3384}, {"candidate_id": "ODC-3A8581", "res_at": 1787223035, "skeleton": "KUZSMLVSEYFUEQ", "hf_user": "takutoyo", "display_name": "PfD9-C4", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2[O-]", "total": 37.242, "axes": {"activity": 15.17, "binding": 9.73, "selectivity": 3.57, "admet": 3.85, "novelty": 3.08, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.46, "LE": 0.369, "potency_term": 0.486, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.367, "target_engagement": 0.486}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.497, "herg": 0.615, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.510004840837483, "aff_pf": -0.4594980676968892, "aff_hs": 0.27396000425020856, "repeats_pf": {"runs": 3, "values": [-0.3457, -0.4293, -0.6035], "mean": -0.4595, "spread": 0.2578}, "repeats_hs": {"runs": 3, "values": [0.3051, 0.1895, 0.3273], "mean": 0.274, "spread": 0.1378}, "at": 1787223035}, "tier": 1, "relegate_reason": [], "submitted_at": 1787218732, "scored_at": 1787223035, "alerts": [], "rank": 3385}, {"candidate_id": "ODC-BF1E1D", "res_at": 1786844512, "skeleton": "SPIWILVGKRUYKQ", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.242, "axes": {"activity": 13.34, "binding": 9.95, "selectivity": 5.42, "admet": 4.31, "novelty": 2.14, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 6.49, "LE": 0.387, "potency_term": 0.497, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.545, "target_engagement": 0.497}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.928, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.376, "herg": 0.687, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "1", "pAct_q10": 5.40068868813782, "aff_pf": -0.4924948712189992, "aff_hs": 0.5974941253662109, "repeats_pf": {"runs": 3, "values": [-0.522, -0.5422, -0.4133], "mean": -0.4925, "spread": 0.1288}, "repeats_hs": {"runs": 3, "values": [0.5447, 0.6042, 0.6436], "mean": 0.5975, "spread": 0.0989}, "at": 1786844512}, "tier": 1, "relegate_reason": [], "submitted_at": 1786839462, "scored_at": 1786844512, "alerts": [], "rank": 3386}, {"candidate_id": "ODC-15E90F", "res_at": 1787498119, "skeleton": "PIYPCOQJAGTHFZ", "hf_user": "takutoyo", "display_name": "PfD15-27", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 37.24, "axes": {"activity": 21.58, "binding": 6.36, "selectivity": 0.0, "admet": 3.05, "novelty": 3.54, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.895, "fraction": 0.719}, "binding": {"pIC50": 6.15, "LE": 0.248, "potency_term": 0.385, "efficiency_cap": 0.827}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.48, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.489, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.492, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.507, "novelty": 0.493}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.894693665055579, "aff_pf": -0.15429609765609106, "aff_hs": -0.3427601357301076, "repeats_pf": {"runs": 3, "values": [-0.2802, -0.0952, -0.0875], "mean": -0.1543, "spread": 0.1927}, "repeats_hs": {"runs": 3, "values": [-0.4132, -0.5486, -0.0665], "mean": -0.3428, "spread": 0.482}, "at": 1787498119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491796, "scored_at": 1787498119, "alerts": [], "rank": 3387}, {"candidate_id": "ODC-202181", "res_at": 1786986174, "skeleton": "MSQLUIWAJZDDIH", "hf_user": "1Dmeds", "display_name": "ODC26-R7D-04", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.227, "axes": {"activity": 14.24, "binding": 9.44, "selectivity": 5.89, "admet": 2.7, "novelty": 2.89, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 6.42, "LE": 0.352, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.781, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.256, "ld50-zhu": 0.842, "herg": 0.133, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.454269211790257, "aff_pf": -0.41605369249979657, "aff_hs": 0.8316558400789896, "repeats_pf": {"runs": 3, "values": [-0.3348, -0.5216, -0.3918], "mean": -0.4161, "spread": 0.1868}, "repeats_hs": {"runs": 3, "values": [0.9053, 0.9607, 0.6289], "mean": 0.8317, "spread": 0.3318}, "at": 1786986174}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980977, "scored_at": 1786986174, "alerts": [], "rank": 3388}, {"candidate_id": "ODC-EBBCE4", "res_at": 1789913296, "skeleton": "NXQRJBTZXLOFIP", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.21, "axes": {"activity": 22.26, "binding": 3.69, "selectivity": 1.82, "admet": 2.75, "novelty": 4.79, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.935, "fraction": 0.742}, "binding": {"pIC50": 5.79, "LE": 0.209, "potency_term": 0.265, "efficiency_cap": 0.696}, "selectivity": {"fold": 4.9, "selectivity_term": 0.343, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.389, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.888, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 4.2}}, "run": {"gpu": "2", "pAct_q10": 5.935451198112373, "aff_pf": 0.20582144459088644, "aff_hs": 0.8927166064580282, "repeats_pf": {"runs": 3, "values": [0.168, 0.1815, 0.268], "mean": 0.2058, "spread": 0.1}, "repeats_hs": {"runs": 3, "values": [0.9796, 0.8677, 0.8309], "mean": 0.8927, "spread": 0.1487}, "at": 1789913296}, "tier": 1, "alerts": [], "total_sd": 0.257, "total_ci95": [36.761, 37.706], "relegate_reason": [], "submitted_at": 1789837531, "scored_at": 1789913296, "rank": 3389}, {"candidate_id": "ODC-F36C7C", "res_at": 1789885233, "skeleton": "TYOMQIOJHIZWIL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········c1C#N", "total": 37.189, "axes": {"activity": 18.61, "binding": 8.16, "selectivity": 0.69, "admet": 3.47, "novelty": 3.79, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.717, "fraction": 0.62}, "binding": {"pIC50": 6.28, "LE": 0.287, "potency_term": 0.427, "efficiency_cap": 0.956}, "selectivity": {"fold": 1.5, "selectivity_term": 0.081, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.678, "ld50-zhu": 0.713, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "2", "pAct_q10": 5.7168251421004435, "aff_pf": -0.27969323595364887, "aff_hs": -0.11764925718307495, "repeats_pf": {"runs": 3, "values": [-0.3529, -0.2399, -0.2463], "mean": -0.2797, "spread": 0.113}, "repeats_hs": {"runs": 3, "values": [-0.2536, 0.1858, -0.2851], "mean": -0.1176, "spread": 0.4708}, "at": 1789885233}, "tier": 1, "alerts": [], "total_sd": 0.57, "total_ci95": [36.227, 38.355], "relegate_reason": [], "submitted_at": 1789657816, "scored_at": 1789885233, "rank": 3390}, {"candidate_id": "ODC-EDC8F7", "res_at": 1787316182, "skeleton": "ZEKUCJFOQGHERP", "hf_user": "takutoyo", "display_name": "PfD12-04", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 37.181, "axes": {"activity": 23.3, "binding": 2.91, "selectivity": 0.35, "admet": 2.96, "novelty": 5.15, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.998, "fraction": 0.777}, "binding": {"pIC50": 5.58, "LE": 0.225, "potency_term": 0.194, "efficiency_cap": 0.75}, "selectivity": {"fold": 1.5, "selectivity_term": 0.091, "target_engagement": 0.194}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.503, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.13, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.74}}, "run": {"gpu": "3", "pAct_q10": 5.998252480832642, "aff_pf": 0.41820500294367474, "aff_hs": 0.6011287569999695, "repeats_pf": {"runs": 3, "values": [0.4248, 0.4297, 0.4001], "mean": 0.4182, "spread": 0.0296}, "repeats_hs": {"runs": 3, "values": [0.5922, 0.6336, 0.5777], "mean": 0.6011, "spread": 0.0559}, "at": 1787316182}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315639, "scored_at": 1787316182, "alerts": [], "rank": 3391}, {"candidate_id": "ODC-C09F10", "res_at": 1788262795, "skeleton": "VASIABKARAJSPQ", "hf_user": "Bio-JS", "display_name": "0901-S1 옥세탄 x 설파이드 팔", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.18, "axes": {"activity": 17.54, "binding": 7.57, "selectivity": 3.83, "admet": 1.85, "novelty": 3.85, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.653, "fraction": 0.585}, "binding": {"pIC50": 6.33, "LE": 0.255, "potency_term": 0.445, "efficiency_cap": 0.851}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.211, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.359, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.337, "herg": 0.05, "dili": 0.327}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.652590640421331, "aff_pf": -0.3340911070505778, "aff_hs": 0.5260889728864034, "repeats_pf": {"runs": 3, "values": [-0.4273, -0.3624, -0.2126], "mean": -0.3341, "spread": 0.2147}, "repeats_hs": {"runs": 3, "values": [0.624, 0.4552, 0.499], "mean": 0.5261, "spread": 0.1689}, "at": 1788262795}, "tier": 1, "alerts": [], "total_sd": 0.755, "total_ci95": [35.579, 38.48], "relegate_reason": [], "submitted_at": 1788222344, "scored_at": 1788262795, "rank": 3392}, {"candidate_id": "ODC-FF0E8E", "res_at": 1787606468, "skeleton": "AVFBORMCSALFEM", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.176, "axes": {"activity": 17.01, "binding": 9.12, "selectivity": 2.17, "admet": 2.54, "novelty": 3.88, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.62, "fraction": 0.567}, "binding": {"pIC50": 6.66, "LE": 0.247, "potency_term": 0.554, "efficiency_cap": 0.822}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.554}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 0.824, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.187, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.425, "herg": 0.05, "dili": 0.39}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.620409928999824, "aff_pf": -0.6633052031199137, "aff_hs": -0.2723867694536845, "repeats_pf": {"runs": 3, "values": [-0.711, -0.4872, -0.7917], "mean": -0.6633, "spread": 0.3045}, "repeats_hs": {"runs": 3, "values": [-0.2008, -0.3297, -0.2867], "mean": -0.2724, "spread": 0.129}, "at": 1787606468}, "tier": 1, "relegate_reason": [], "submitted_at": 1787605319, "scored_at": 1787606468, "alerts": [], "rank": 3393}, {"candidate_id": "ODC-D38EB3", "res_at": 1789542015, "skeleton": "JDWHCLIWAPNSIM", "hf_user": "Bio-JS", "display_name": "0916-S1-div04", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 37.141, "axes": {"activity": 17.76, "binding": 7.44, "selectivity": 0.86, "admet": 4.81, "novelty": 3.81, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.665, "fraction": 0.592}, "binding": {"pIC50": 6.12, "LE": 0.335, "potency_term": 0.372, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.115, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.771, "cyp3a4-substrate-carbonmangels": 0.821, "ld50-zhu": 0.382, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.665460420687447, "aff_pf": -0.11537122974793117, "aff_hs": 0.11502524465322495, "repeats_pf": {"runs": 3, "values": [-0.1867, -0.0848, -0.0746], "mean": -0.1154, "spread": 0.112}, "repeats_hs": {"runs": 3, "values": [0.0633, 0.1345, 0.1472], "mean": 0.115, "spread": 0.0839}, "at": 1789542015}, "tier": 1, "alerts": [], "total_sd": 0.311, "total_ci95": [36.628, 37.686], "relegate_reason": [], "submitted_at": 1789526736, "scored_at": 1789542015, "rank": 3394}, {"candidate_id": "ODC-8BFC8F", "res_at": 1787227907, "skeleton": "SATKNUOGTIXXGJ", "hf_user": "takutoyo", "display_name": "PfD10-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 37.121, "axes": {"activity": 11.37, "binding": 13.38, "selectivity": 3.54, "admet": 3.16, "novelty": 2.78, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.282, "fraction": 0.379}, "binding": {"pIC50": 7.01, "LE": 0.331, "potency_term": 0.669, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.265, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.967, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.138, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.282355560417733, "aff_pf": -1.0067246357599895, "aff_hs": -0.4769962728023529, "repeats_pf": {"runs": 3, "values": [-1.0198, -1.0332, -0.9672], "mean": -1.0067, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [-0.4894, -0.4654, -0.4762], "mean": -0.477, "spread": 0.024}, "at": 1787227907}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227186, "scored_at": 1787227907, "alerts": [], "rank": 3395}, {"candidate_id": "ODC-BC2D94", "res_at": 1786840596, "skeleton": "LIMQAQITDAVTHJ", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.118, "axes": {"activity": 6.14, "binding": 14.18, "selectivity": 3.79, "admet": 5.87, "novelty": 3.86, "synthesis": 3.28}, "detail": {"activity": {"pAct_q10": 4.968, "fraction": 0.205}, "binding": {"pIC50": 7.13, "LE": 0.465, "potency_term": 0.709, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.267, "target_engagement": 0.709}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.826, "cyp3a4-substrate-carbonmangels": 0.269, "ld50-zhu": 0.317, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "1", "pAct_q10": 4.968257153973507, "aff_pf": -1.1275166273117065, "aff_hs": -0.5930776198705038, "repeats_pf": {"runs": 3, "values": [-1.1242, -1.1201, -1.1382], "mean": -1.1275, "spread": 0.0181}, "repeats_hs": {"runs": 3, "values": [-0.5795, -0.5262, -0.6735], "mean": -0.5931, "spread": 0.1472}, "at": 1786840596}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805777, "scored_at": 1786840596, "alerts": [], "rank": 3396}, {"candidate_id": "ODC-E6BD11", "res_at": 1787407950, "skeleton": "ITXPIUIOHLJSGA", "hf_user": "takutoyo", "display_name": "PfD13-07", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 37.117, "axes": {"activity": 21.46, "binding": 6.11, "selectivity": 0.0, "admet": 2.34, "novelty": 5.17, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.887, "fraction": 0.715}, "binding": {"pIC50": 6.12, "LE": 0.246, "potency_term": 0.372, "efficiency_cap": 0.821}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.218, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.418, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.052, "ld50-zhu": 0.919, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "3", "pAct_q10": 5.887320506643359, "aff_pf": -0.11616054177284241, "aff_hs": -0.3611607849597931, "repeats_pf": {"runs": 3, "values": [-0.0979, -0.0857, -0.1649], "mean": -0.1162, "spread": 0.0792}, "repeats_hs": {"runs": 3, "values": [-0.4474, -0.3354, -0.3006], "mean": -0.3612, "spread": 0.1468}, "at": 1787407950}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406703, "scored_at": 1787407950, "alerts": [], "rank": 3397}, {"candidate_id": "ODC-A9536E", "res_at": 1787189930, "skeleton": "JQFRNNIDCDHAFJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········3)CC1", "total": 37.091, "axes": {"activity": 15.97, "binding": 9.85, "selectivity": 1.34, "admet": 4.14, "novelty": 3.28, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.558, "fraction": 0.532}, "binding": {"pIC50": 6.61, "LE": 0.275, "potency_term": 0.538, "efficiency_cap": 0.915}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.268, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 0.87, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.558077499444386, "aff_pf": -0.6147204836209615, "aff_hs": -0.366521288951238, "repeats_pf": {"runs": 3, "values": [-0.4549, -0.7106, -0.6786], "mean": -0.6147, "spread": 0.2556}, "repeats_hs": {"runs": 3, "values": [-0.4785, -0.3674, -0.2537], "mean": -0.3665, "spread": 0.2249}, "at": 1787189930}, "tier": 1, "relegate_reason": [], "submitted_at": 1787187650, "scored_at": 1787189930, "alerts": [], "rank": 3398}, {"candidate_id": "ODC-0DA5CA", "res_at": 1788330849, "skeleton": "WZQIGQDMPLEIOS", "hf_user": "Bio-JS", "display_name": "0902-메틸설폰-HA34", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 37.081, "axes": {"activity": 15.62, "binding": 8.96, "selectivity": 5.1, "admet": 1.97, "novelty": 3.34, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.521}, "binding": {"pIC50": 6.53, "LE": 0.263, "potency_term": 0.511, "efficiency_cap": 0.877}, "selectivity": {"fold": 10.0, "selectivity_term": 0.499, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.53726401397208, "aff_pf": -0.5325783093770345, "aff_hs": 0.46546661853790283, "repeats_pf": {"runs": 3, "values": [-0.5523, -0.5855, -0.4599], "mean": -0.5326, "spread": 0.1256}, "repeats_hs": {"runs": 3, "values": [0.5108, 0.4139, 0.4717], "mean": 0.4655, "spread": 0.0968}, "at": 1788330849}, "tier": 1, "alerts": [], "total_sd": 0.476, "total_ci95": [36.029, 37.922], "relegate_reason": [], "submitted_at": 1788327361, "scored_at": 1788330849, "rank": 3399}, {"candidate_id": "ODC-F4EABC", "res_at": 1786772931, "skeleton": "SKQJJOVFKFEZER", "hf_user": "spirit1332", "display_name": "Pongdang", "model_name": "OpenAI GPT-5.6 SOL", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.07, "axes": {"activity": 13.44, "binding": 10.05, "selectivity": 6.42, "admet": 3.08, "novelty": 1.64, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.448}, "binding": {"pIC50": 6.51, "LE": 0.405, "potency_term": 0.503, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.0, "selectivity_term": 0.639, "target_engagement": 0.503}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.201, "ld50-zhu": 0.531, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.406657972989076, "aff_pf": -0.5081443786621094, "aff_hs": 0.7697678804397583, "at": 1786772931}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772356, "scored_at": 1786772931, "alerts": [], "rank": 3400}, {"candidate_id": "ODC-D623F9", "res_at": 1787614560, "skeleton": "MYPXGZYLLKOBJT", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-메틸싸이에탄 1-옥사이드 (4원 S=O)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 37.02, "axes": {"activity": 18.67, "binding": 6.78, "selectivity": 2.31, "admet": 2.63, "novelty": 4.2, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.72, "fraction": 0.622}, "binding": {"pIC50": 6.31, "LE": 0.234, "potency_term": 0.435, "efficiency_cap": 0.778}, "selectivity": {"fold": 3.4, "selectivity_term": 0.265, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.322, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.296, "herg": 0.05, "dili": 0.264}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.720059770404827, "aff_pf": -0.3064269969860713, "aff_hs": 0.2240531345208486, "repeats_pf": {"runs": 3, "values": [-0.3257, -0.2481, -0.3455], "mean": -0.3064, "spread": 0.0974}, "repeats_hs": {"runs": 3, "values": [0.3254, 0.1117, 0.2351], "mean": 0.2241, "spread": 0.2137}, "at": 1787614560}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614370, "scored_at": 1787614560, "alerts": [], "rank": 3401}, {"candidate_id": "ODC-BA18A9", "res_at": 1786768679, "skeleton": "KPRCAMWOZMNBDW", "hf_user": "aiqcamp", "display_name": "FKDKSA", "model_name": "Deepseek v4 flash", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Cl)c(F)c2)n2nc(C(F)(F)F)nc2n1", "smiles_masked": null, "total": 37.01, "axes": {"activity": 11.22, "binding": 11.88, "selectivity": 5.4, "admet": 4.59, "novelty": 1.01, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 6.78, "LE": 0.404, "potency_term": 0.594, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.455, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.674, "cyp3a4-substrate-carbonmangels": 0.173, "ld50-zhu": 0.398, "herg": 0.747, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.83, "novelty": 0.17}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.273124330461482, "aff_pf": -0.7824438810348511, "aff_hs": 0.12680473923683167, "at": 1786768679}, "tier": 1, "relegate_reason": [], "submitted_at": 1786768477, "scored_at": 1786768679, "alerts": [], "rank": 3402}, {"candidate_id": "ODC-F98718", "res_at": 1786955856, "skeleton": "JSJSEVPOVGCGOY", "hf_user": "tteggu", "display_name": "DuckCrab", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 37.006, "axes": {"activity": 12.44, "binding": 11.19, "selectivity": 5.97, "admet": 3.96, "novelty": 1.43, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.415}, "binding": {"pIC50": 6.68, "LE": 0.327, "potency_term": 0.56, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.533, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.38, "cyp3a4-substrate-carbonmangels": 0.65, "ld50-zhu": 0.675, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.745, "novelty": 0.255}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.3464031594625805, "aff_pf": -0.6787331302960714, "aff_hs": 0.3882095019022624, "repeats_pf": {"runs": 3, "values": [-0.6542, -0.7039, -0.6781], "mean": -0.6787, "spread": 0.0497}, "repeats_hs": {"runs": 3, "values": [0.3824, 0.3834, 0.3988], "mean": 0.3882, "spread": 0.0164}, "at": 1786955856}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950952, "scored_at": 1786955856, "alerts": [], "rank": 3403}, {"candidate_id": "ODC-961F0D", "res_at": 1788761548, "skeleton": "WNDSVTRUICLGLK", "hf_user": "Bio-JS", "display_name": "0906-S1-02 SMe/CN/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.996, "axes": {"activity": 10.67, "binding": 11.76, "selectivity": 5.02, "admet": 3.69, "novelty": 3.49, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.24, "fraction": 0.356}, "binding": {"pIC50": 6.76, "LE": 0.371, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.427, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.94, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.195, "ld50-zhu": 0.577, "herg": 0.517, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.239973463790692, "aff_pf": -0.7641006708145142, "aff_hs": 0.09006541470686595, "repeats_pf": {"runs": 3, "values": [-0.834, -0.7869, -0.6714], "mean": -0.7641, "spread": 0.1627}, "repeats_hs": {"runs": 3, "values": [0.1403, 0.0622, 0.0677], "mean": 0.0901, "spread": 0.0782}, "at": 1788761548}, "tier": 1, "alerts": [], "total_sd": 0.758, "total_ci95": [35.73, 38.291], "relegate_reason": [], "submitted_at": 1788665862, "scored_at": 1788761548, "rank": 3404}, {"candidate_id": "ODC-A6EE1D", "res_at": 1787870495, "skeleton": "JBYAOUZPSFCBTR", "hf_user": "Bio-JS", "display_name": "설폭사이드팔 x 베타 스페이서 싸이에탄", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.971, "axes": {"activity": 18.99, "binding": 8.36, "selectivity": 0.25, "admet": 2.56, "novelty": 4.38, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.74, "fraction": 0.633}, "binding": {"pIC50": 6.55, "LE": 0.243, "potency_term": 0.517, "efficiency_cap": 0.809}, "selectivity": {"fold": 1.1, "selectivity_term": 0.025, "target_engagement": 0.517}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.352, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.05, "dili": 0.283}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 5.739504160275747, "aff_pf": -0.5509594281514486, "aff_hs": -0.501907060543696, "repeats_pf": {"runs": 3, "values": [-0.7238, -0.4087, -0.5204], "mean": -0.551, "spread": 0.3151}, "repeats_hs": {"runs": 3, "values": [-0.4545, -0.5442, -0.507], "mean": -0.5019, "spread": 0.0897}, "at": 1787870495}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813217, "scored_at": 1787870495, "alerts": [], "rank": 3405}, {"candidate_id": "ODC-4F92B5", "res_at": 1787623571, "skeleton": "NANYYTBXFHKQFC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········)(F)F", "total": 36.966, "axes": {"activity": 11.35, "binding": 15.06, "selectivity": 0.42, "admet": 3.54, "novelty": 3.51, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.281, "fraction": 0.378}, "binding": {"pIC50": 7.26, "LE": 0.343, "potency_term": 0.753, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.028, "target_engagement": 0.753}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.897, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.281038699976472, "aff_pf": -1.2587909301122029, "aff_hs": -1.202450156211853, "repeats_pf": {"runs": 3, "values": [-1.3403, -1.2064, -1.2297], "mean": -1.2588, "spread": 0.1339}, "repeats_hs": {"runs": 3, "values": [-1.1956, -1.2065, -1.2052], "mean": -1.2025, "spread": 0.0109}, "at": 1787623571}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620957, "scored_at": 1787623571, "alerts": [], "rank": 3406}, {"candidate_id": "ODC-B60455", "res_at": 1789197720, "skeleton": "IVSKUEZIKAXUSG", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_OC_5Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "OCc1nc2··········)n2n1", "total": 36.952, "axes": {"activity": 11.28, "binding": 10.66, "selectivity": 5.45, "admet": 4.3, "novelty": 2.94, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.277, "fraction": 0.376}, "binding": {"pIC50": 6.6, "LE": 0.393, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.511, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.398, "herg": 0.538, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.2765990379039565, "aff_pf": -0.5996111830075582, "aff_hs": 0.42210037509600323, "repeats_pf": {"runs": 3, "values": [-0.6898, -0.6735, -0.4355], "mean": -0.5996, "spread": 0.2544}, "repeats_hs": {"runs": 3, "values": [0.3408, 0.4977, 0.4278], "mean": 0.4221, "spread": 0.157}, "at": 1789197720}, "tier": 1, "alerts": [], "total_sd": 1.481, "total_ci95": [33.532, 39.092], "relegate_reason": [], "submitted_at": 1789177481, "scored_at": 1789197720, "rank": 3407}, {"candidate_id": "ODC-3E5F89", "res_at": 1789404044, "skeleton": "OZQAVKKMSRUXHA", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 36.945, "axes": {"activity": 11.94, "binding": 11.28, "selectivity": 5.66, "admet": 3.89, "novelty": 2.38, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.316, "fraction": 0.398}, "binding": {"pIC50": 6.69, "LE": 0.316, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.1, "selectivity_term": 0.501, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.47, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 0.837, "ld50-zhu": 0.855, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.316457895453398, "aff_pf": -0.6921960910161337, "aff_hs": 0.31049197912216187, "repeats_pf": {"runs": 3, "values": [-0.5929, -0.6558, -0.8278], "mean": -0.6922, "spread": 0.2349}, "repeats_hs": {"runs": 3, "values": [0.2595, 0.2797, 0.3923], "mean": 0.3105, "spread": 0.1328}, "at": 1789404044}, "tier": 1, "alerts": [], "total_sd": 1.219, "total_ci95": [34.951, 39.775], "relegate_reason": [], "submitted_at": 1789403375, "scored_at": 1789404044, "rank": 3408}, {"candidate_id": "ODC-DC3D8D", "res_at": 1786985496, "skeleton": "WXNXTIGLRREFRZ", "hf_user": "1Dmeds", "display_name": "ODC26-R7-10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.937, "axes": {"activity": 10.42, "binding": 9.88, "selectivity": 9.0, "admet": 2.95, "novelty": 2.42, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 6.48, "LE": 0.423, "potency_term": 0.494, "efficiency_cap": 1.0}, "selectivity": {"fold": 66.4, "selectivity_term": 0.911, "target_engagement": 0.494}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.272, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.225116413516033, "aff_pf": -0.48217150568962097, "aff_hs": 1.339678963025411, "repeats_pf": {"runs": 3, "values": [-0.5027, -0.4695, -0.4743], "mean": -0.4822, "spread": 0.0331}, "repeats_hs": {"runs": 3, "values": [1.3128, 1.3616, 1.3447], "mean": 1.3397, "spread": 0.0488}, "at": 1786985496}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980325, "scored_at": 1786985496, "alerts": [], "rank": 3409}, {"candidate_id": "ODC-6F99D9", "res_at": 1786949227, "skeleton": "FRVAYCMHLICFNZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 36.923, "axes": {"activity": 12.55, "binding": 14.8, "selectivity": 2.24, "admet": 4.08, "novelty": 0.0, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 7.22, "LE": 0.353, "potency_term": 0.74, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.151, "target_engagement": 0.74}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.89, "herg": 0.05, "dili": 0.335}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.353204381094834, "aff_pf": -1.220264991124471, "aff_hs": -0.917919913927714, "repeats_pf": {"runs": 3, "values": [-1.241, -1.3186, -1.1011], "mean": -1.2203, "spread": 0.2175}, "repeats_hs": {"runs": 3, "values": [-0.9341, -0.9405, -0.8791], "mean": -0.9179, "spread": 0.0614}, "at": 1786949227}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937539, "scored_at": 1786949227, "alerts": [], "rank": 3410}, {"candidate_id": "ODC-2523D6", "res_at": 1786934159, "skeleton": "PKBOXDAOGVXAJG", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.92, "axes": {"activity": 12.02, "binding": 12.21, "selectivity": 4.65, "admet": 2.91, "novelty": 2.29, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.401}, "binding": {"pIC50": 6.83, "LE": 0.302, "potency_term": 0.611, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.611}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.163, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.831, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 5.321479436846702, "aff_pf": -0.8321000734965006, "aff_hs": -0.07007099688053131, "repeats_pf": {"runs": 3, "values": [-0.8502, -0.798, -0.8481], "mean": -0.8321, "spread": 0.0522}, "repeats_hs": {"runs": 3, "values": [-0.1335, -0.0344, -0.0424], "mean": -0.0701, "spread": 0.0991}, "at": 1786934159}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925673, "scored_at": 1786934159, "alerts": [], "rank": 3411}, {"candidate_id": "ODC-43C59E", "res_at": 1787318880, "skeleton": "QJAAVWWAOFUQEO", "hf_user": "takutoyo", "display_name": "PfD12-18", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 36.915, "axes": {"activity": 10.43, "binding": 11.84, "selectivity": 6.77, "admet": 2.08, "novelty": 3.72, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.226, "fraction": 0.348}, "binding": {"pIC50": 6.78, "LE": 0.3, "potency_term": 0.593, "efficiency_cap": 0.999}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.419, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.2259376975968825, "aff_pf": -0.7786673506100973, "aff_hs": 0.36386121312777203, "repeats_pf": {"runs": 3, "values": [-0.7866, -0.6645, -0.8849], "mean": -0.7787, "spread": 0.2203}, "repeats_hs": {"runs": 3, "values": [0.3008, 0.3938, 0.397], "mean": 0.3639, "spread": 0.0961}, "at": 1787318880}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315892, "scored_at": 1787318880, "alerts": [], "rank": 3412}, {"candidate_id": "ODC-5B7C04", "res_at": 1786927719, "skeleton": "CXGNJQZPKKCVQL", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-009 diagnostic 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 36.912, "axes": {"activity": 15.74, "binding": 9.03, "selectivity": 4.4, "admet": 2.26, "novelty": 3.04, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 6.43, "LE": 0.284, "potency_term": 0.477, "efficiency_cap": 0.947}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.07, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.681, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "1", "pAct_q10": 5.544623778024895, "aff_pf": -0.42950963973999023, "aff_hs": 0.49443994959195453, "repeats_pf": {"runs": 3, "values": [-0.3698, -0.4041, -0.5147], "mean": -0.4295, "spread": 0.1449}, "repeats_hs": {"runs": 3, "values": [0.4896, 0.4848, 0.509], "mean": 0.4944, "spread": 0.0242}, "at": 1786927719}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924468, "scored_at": 1786927719, "alerts": [], "rank": 3413}, {"candidate_id": "ODC-C2D9ED", "res_at": 1788601551, "skeleton": "QJNHKCHDGDMBBC", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.91, "axes": {"activity": 9.98, "binding": 13.39, "selectivity": 3.27, "admet": 4.82, "novelty": 2.68, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.199, "fraction": 0.333}, "binding": {"pIC50": 7.01, "LE": 0.369, "potency_term": 0.669, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.244, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.902, "cyp3a4-substrate-carbonmangels": 0.115, "ld50-zhu": 0.54, "herg": 0.157, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.198875586139715, "aff_pf": -1.008266309897105, "aff_hs": -0.5198341608047485, "repeats_pf": {"runs": 3, "values": [-0.9818, -0.9516, -1.0913], "mean": -1.0083, "spread": 0.1397}, "repeats_hs": {"runs": 3, "values": [-0.5316, -0.5085, -0.5193], "mean": -0.5198, "spread": 0.0231}, "at": 1788601551}, "tier": 1, "alerts": [], "total_sd": 0.657, "total_ci95": [35.805, 37.906], "relegate_reason": [], "submitted_at": 1788571101, "scored_at": 1788601551, "rank": 3414}, {"candidate_id": "ODC-F153DB", "res_at": 1786984377, "skeleton": "PLJDCZWTIHWIDR", "hf_user": "takutoyo", "display_name": "PfD4-03", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 36.906, "axes": {"activity": 16.36, "binding": 9.71, "selectivity": 2.7, "admet": 2.73, "novelty": 3.08, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.582, "fraction": 0.545}, "binding": {"pIC50": 6.46, "LE": 0.316, "potency_term": 0.485, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.969, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 5.581629641295925, "aff_pf": -0.4563385248184204, "aff_hs": 0.09917741517225902, "repeats_pf": {"runs": 3, "values": [-0.404, -0.4506, -0.5144], "mean": -0.4563, "spread": 0.1104}, "repeats_hs": {"runs": 3, "values": [0.0148, 0.1346, 0.1481], "mean": 0.0992, "spread": 0.1333}, "at": 1786984377}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979783, "scored_at": 1786984377, "alerts": [], "rank": 3415}, {"candidate_id": "ODC-43CB80", "res_at": 1786847985, "skeleton": "XRXYHTFKWSMTFI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2CC2)s1", "smiles_masked": null, "total": 36.893, "axes": {"activity": 9.79, "binding": 12.37, "selectivity": 7.75, "admet": 4.03, "novelty": 0.0, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 6.86, "LE": 0.408, "potency_term": 0.618, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.9, "selectivity_term": 0.626, "target_engagement": 0.618}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.252, "ld50-zhu": 0.404, "herg": 0.242, "dili": 0.073}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.187475889506249, "aff_pf": -0.855293850104014, "aff_hs": 0.39738211035728455, "repeats_pf": {"runs": 3, "values": [-0.8829, -0.7536, -0.9294], "mean": -0.8553, "spread": 0.1757}, "repeats_hs": {"runs": 3, "values": [0.5072, 0.3767, 0.3083], "mean": 0.3974, "spread": 0.1989}, "at": 1786847985}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845795, "scored_at": 1786847985, "alerts": [], "rank": 3416}, {"candidate_id": "ODC-506B91", "res_at": 1786937315, "skeleton": "AYSPOVSUNXRZPV", "hf_user": "1Dmeds", "display_name": "ODC26-R2N-03", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········13)C2", "total": 36.881, "axes": {"activity": 12.94, "binding": 11.48, "selectivity": 6.13, "admet": 3.64, "novelty": 0.41, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.431}, "binding": {"pIC50": 6.72, "LE": 0.341, "potency_term": 0.574, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.574}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.587}}, "novelty": {"max_tanimoto": 0.929, "novelty": 0.071}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.376632155245207, "aff_pf": -0.721731424331665, "aff_hs": 0.3467663526535034, "repeats_pf": {"runs": 3, "values": [-0.5994, -0.8455, -0.7203], "mean": -0.7217, "spread": 0.246}, "repeats_hs": {"runs": 3, "values": [0.4362, 0.2791, 0.3251], "mean": 0.3468, "spread": 0.1571}, "at": 1786937315}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930987, "scored_at": 1786937315, "alerts": [], "rank": 3417}, {"candidate_id": "ODC-F5CBE5", "res_at": 1787552473, "skeleton": "UQSMYABMKMHGBW", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.881, "axes": {"activity": 18.84, "binding": 9.38, "selectivity": 0.0, "admet": 1.99, "novelty": 3.88, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.73, "fraction": 0.628}, "binding": {"pIC50": 6.67, "LE": 0.254, "potency_term": 0.555, "efficiency_cap": 0.845}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.212, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.312, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.554, "herg": 0.05, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.730123834857916, "aff_pf": -0.6650097370147705, "aff_hs": -1.3790728251139324, "repeats_pf": {"runs": 3, "values": [-0.7154, -0.6399, -0.6397], "mean": -0.665, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [-1.3862, -1.4263, -1.3247], "mean": -1.3791, "spread": 0.1016}, "at": 1787552473}, "tier": 1, "relegate_reason": [], "submitted_at": 1787532655, "scored_at": 1787552473, "alerts": [], "rank": 3418}, {"candidate_id": "ODC-C8327A", "res_at": 1789018639, "skeleton": "DMTJVCULMFIVEG", "hf_user": "Ku-ku", "display_name": "KK-M-0910-911", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 36.861, "axes": {"activity": 13.68, "binding": 11.62, "selectivity": 2.12, "admet": 3.62, "novelty": 4.03, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 6.74, "LE": 0.319, "potency_term": 0.581, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.581}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.3, "cyp3a4-substrate-carbonmangels": 0.535, "ld50-zhu": 0.63, "herg": 0.05, "dili": 0.848}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "0", "pAct_q10": 5.420830722229226, "aff_pf": -0.7423891027768453, "aff_hs": -0.3771031896273295, "repeats_pf": {"runs": 3, "values": [-0.869, -0.4625, -0.8957], "mean": -0.7424, "spread": 0.4332}, "repeats_hs": {"runs": 3, "values": [-0.4223, -0.4094, -0.2996], "mean": -0.3771, "spread": 0.1226}, "at": 1789018639}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 2.141, "total_ci95": [33.953, 39.947], "relegate_reason": [], "submitted_at": 1789015922, "scored_at": 1789018639, "rank": 3419}, {"candidate_id": "ODC-F7736F", "res_at": 1789992998, "skeleton": "NSGGVAZJSBDYQG", "hf_user": "Bio-JS", "display_name": "0921-S1-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 36.846, "axes": {"activity": 5.78, "binding": 10.72, "selectivity": 10.72, "admet": 4.44, "novelty": 2.68, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 4.947, "fraction": 0.193}, "binding": {"pIC50": 6.61, "LE": 0.431, "potency_term": 0.536, "efficiency_cap": 1.0}, "selectivity": {"fold": 178.5, "selectivity_term": 1.0, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.581, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.936, "cyp3a4-substrate-carbonmangels": 0.209, "ld50-zhu": 0.289, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 4.946764361807096, "aff_pf": -0.608314593633016, "aff_hs": 1.6433400710423787, "repeats_pf": {"runs": 3, "values": [-0.6115, -0.5242, -0.6893], "mean": -0.6083, "spread": 0.165}, "repeats_hs": {"runs": 3, "values": [1.6793, 1.578, 1.6726], "mean": 1.6433, "spread": 0.1013}, "at": 1789992998}, "tier": 1, "alerts": [], "total_sd": 0.723, "total_ci95": [35.221, 37.909], "relegate_reason": [], "submitted_at": 1789989816, "scored_at": 1789992998, "rank": 3420}, {"candidate_id": "ODC-486E9E", "res_at": 1787918742, "skeleton": "UZIOCXWFXYPIIU", "hf_user": "Bio-JS", "display_name": "K2 코어2-Cl x 옥세탄 (소수성 전자끌기)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 36.827, "axes": {"activity": 17.68, "binding": 8.84, "selectivity": 1.56, "admet": 2.5, "novelty": 3.79, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.661, "fraction": 0.589}, "binding": {"pIC50": 6.59, "LE": 0.251, "potency_term": 0.529, "efficiency_cap": 0.836}, "selectivity": {"fold": 2.0, "selectivity_term": 0.148, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.41, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.660535399022268, "aff_pf": -0.587359348932902, "aff_hs": -0.29235046605269116, "repeats_pf": {"runs": 3, "values": [-0.6156, -0.5775, -0.5689], "mean": -0.5874, "spread": 0.0467}, "repeats_hs": {"runs": 3, "values": [-0.3301, -0.1611, -0.3858], "mean": -0.2924, "spread": 0.2247}, "at": 1787918742}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898877, "scored_at": 1787918742, "alerts": [], "rank": 3421}, {"candidate_id": "ODC-026A67", "res_at": 1788303149, "skeleton": "LAGUPASJYDBGPE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········2)cc1", "total": 36.824, "axes": {"activity": 18.47, "binding": 6.52, "selectivity": 2.35, "admet": 2.61, "novelty": 3.95, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.708, "fraction": 0.616}, "binding": {"pIC50": 6.32, "LE": 0.222, "potency_term": 0.441, "efficiency_cap": 0.74}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.441}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "0", "pAct_q10": 5.7080960137372605, "aff_pf": -0.32191800077756244, "aff_hs": 0.21098599831263223, "repeats_pf": {"runs": 3, "values": [-0.3341, -0.3149, -0.3167], "mean": -0.3219, "spread": 0.0192}, "repeats_hs": {"runs": 3, "values": [0.327, 0.1941, 0.1119], "mean": 0.211, "spread": 0.2151}, "at": 1788303149}, "tier": 1, "alerts": [], "total_sd": 0.233, "total_ci95": [36.387, 37.327], "relegate_reason": [], "submitted_at": 1788276450, "scored_at": 1788303149, "rank": 3422}, {"candidate_id": "ODC-410B43", "res_at": 1789362588, "skeleton": "OQJHIHDPDHGCRS", "hf_user": "Bio-JS", "display_name": "0914-S1-div22", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 36.81, "axes": {"activity": 14.12, "binding": 9.05, "selectivity": 4.47, "admet": 4.17, "novelty": 3.07, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.471}, "binding": {"pIC50": 6.36, "LE": 0.348, "potency_term": 0.452, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.993, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.444, "herg": 0.557, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.447377919783394, "aff_pf": -0.35704315702120465, "aff_hs": 0.6318684418996176, "repeats_pf": {"runs": 3, "values": [-0.3381, -0.3713, -0.3617], "mean": -0.357, "spread": 0.0331}, "repeats_hs": {"runs": 3, "values": [0.6053, 0.683, 0.6073], "mean": 0.6319, "spread": 0.0777}, "at": 1789362588}, "tier": 1, "alerts": [], "total_sd": 0.148, "total_ci95": [36.536, 37.109], "relegate_reason": [], "submitted_at": 1789346164, "scored_at": 1789362588, "rank": 3423}, {"candidate_id": "ODC-8D59BF", "res_at": 1789243576, "skeleton": "LCBDWMDPQPKZFI", "hf_user": "Bio-JS", "display_name": "0913-S1-div24", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 36.804, "axes": {"activity": 14.53, "binding": 9.46, "selectivity": 4.44, "admet": 3.75, "novelty": 3.0, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.472, "fraction": 0.484}, "binding": {"pIC50": 6.42, "LE": 0.338, "potency_term": 0.473, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.761, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.524, "herg": 0.598, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "0", "pAct_q10": 5.47196512518103, "aff_pf": -0.4192900558312734, "aff_hs": 0.5201004644234976, "repeats_pf": {"runs": 3, "values": [-0.3918, -0.3699, -0.4961], "mean": -0.4193, "spread": 0.1262}, "repeats_hs": {"runs": 3, "values": [0.6606, 0.4308, 0.4689], "mean": 0.5201, "spread": 0.2298}, "at": 1789243576}, "tier": 1, "alerts": [], "total_sd": 0.598, "total_ci95": [35.847, 38.505], "relegate_reason": [], "submitted_at": 1789226376, "scored_at": 1789243576, "rank": 3424}, {"candidate_id": "ODC-C64970", "res_at": 1789482304, "skeleton": "ITYXWRUZUVGLTR", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "azure/gpt41mini-mva", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)Oc··········C2)o1", "total": 36.793, "axes": {"activity": 17.71, "binding": 10.19, "selectivity": 0.0, "admet": 2.51, "novelty": 4.41, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.59}, "binding": {"pIC50": 6.82, "LE": 0.252, "potency_term": 0.605, "efficiency_cap": 0.841}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.605}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.476, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "0", "pAct_q10": 5.662896135545403, "aff_pf": -0.8164484699567159, "aff_hs": -1.318398912747701, "repeats_pf": {"runs": 3, "values": [-0.6622, -0.7135, -1.0737], "mean": -0.8164, "spread": 0.4115}, "repeats_hs": {"runs": 3, "values": [-1.3781, -1.2658, -1.3113], "mean": -1.3184, "spread": 0.1123}, "at": 1789482304}, "tier": 1, "alerts": [], "total_sd": 0.714, "total_ci95": [35.717, 37.783], "relegate_reason": [], "submitted_at": 1789482120, "scored_at": 1789482304, "rank": 3425}, {"candidate_id": "ODC-47222E", "res_at": 1789580849, "skeleton": "ZYPGBPNSQSSKPV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········)nn12", "total": 36.767, "axes": {"activity": 19.56, "binding": 5.84, "selectivity": 0.51, "admet": 3.68, "novelty": 4.76, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.774, "fraction": 0.652}, "binding": {"pIC50": 6.13, "LE": 0.233, "potency_term": 0.376, "efficiency_cap": 0.777}, "selectivity": {"fold": 1.4, "selectivity_term": 0.069, "target_engagement": 0.376}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.868, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.773677651212488, "aff_pf": -0.12727014472087225, "aff_hs": 0.009763007362683615, "repeats_pf": {"runs": 3, "values": [-0.015, -0.1504, -0.2163], "mean": -0.1273, "spread": 0.2013}, "repeats_hs": {"runs": 3, "values": [0.0838, 0.141, -0.1955], "mean": 0.0098, "spread": 0.3364}, "at": 1789580849}, "tier": 1, "alerts": [], "total_sd": 0.582, "total_ci95": [35.844, 38.002], "relegate_reason": [], "submitted_at": 1789571910, "scored_at": 1789580849, "rank": 3426}, {"candidate_id": "ODC-6B976E", "res_at": 1786886045, "skeleton": "NXYYJKYIPJBLLN", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.76, "axes": {"activity": 10.06, "binding": 11.85, "selectivity": 5.85, "admet": 4.13, "novelty": 2.12, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.204, "fraction": 0.335}, "binding": {"pIC50": 6.78, "LE": 0.371, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.494, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.764, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.405, "herg": 0.211, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.642, "novelty": 0.358}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 5.203593157398357, "aff_pf": -0.7768707871437073, "aff_hs": 0.2109361340602239, "repeats_pf": {"runs": 3, "values": [-0.7568, -0.7517, -0.8221], "mean": -0.7769, "spread": 0.0703}, "repeats_hs": {"runs": 3, "values": [0.1788, 0.2283, 0.2257], "mean": 0.2109, "spread": 0.0496}, "at": 1786886045}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878955, "scored_at": 1786886045, "alerts": [], "rank": 3427}, {"candidate_id": "ODC-3970E9", "res_at": 1789996234, "skeleton": "LQNKAOSIQHDYLM", "hf_user": "Bio-JS", "display_name": "0921-S1-14", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 36.76, "axes": {"activity": 9.05, "binding": 12.34, "selectivity": 5.71, "admet": 5.12, "novelty": 1.84, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 6.85, "LE": 0.391, "potency_term": 0.617, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.463, "target_engagement": 0.617}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.459, "ld50-zhu": 0.572, "herg": 0.517, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.702, "novelty": 0.298}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.143119550260577, "aff_pf": -0.8513527512550354, "aff_hs": 0.07451832294464111, "repeats_pf": {"runs": 3, "values": [-0.8498, -0.8707, -0.8336], "mean": -0.8514, "spread": 0.0372}, "repeats_hs": {"runs": 3, "values": [0.07, 0.144, 0.0095], "mean": 0.0745, "spread": 0.1346}, "at": 1789996234}, "tier": 1, "alerts": [], "total_sd": 0.274, "total_ci95": [36.225, 37.305], "relegate_reason": [], "submitted_at": 1789990115, "scored_at": 1789996234, "rank": 3428}, {"candidate_id": "ODC-82446C", "res_at": 1786988414, "skeleton": "LMCWTRYBJCAHSJ", "hf_user": "polarbearsong", "display_name": "ODC-R2-04-imidazopyrimidine", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.755, "axes": {"activity": 2.24, "binding": 13.7, "selectivity": 8.88, "admet": 5.34, "novelty": 3.36, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 4.483, "fraction": 0.075}, "binding": {"pIC50": 7.05, "LE": 0.42, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.8, "selectivity_term": 0.648, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.981, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.452, "cyp3a4-substrate-carbonmangels": 0.235, "ld50-zhu": 0.442, "herg": 0.536, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.482759839880681, "aff_pf": -1.0548446973164876, "aff_hs": 0.241756409406662, "repeats_pf": {"runs": 3, "values": [-1.1009, -1.0472, -1.0164], "mean": -1.0548, "spread": 0.0845}, "repeats_hs": {"runs": 3, "values": [0.3936, 0.2705, 0.0612], "mean": 0.2418, "spread": 0.3323}, "at": 1786988414}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984581, "scored_at": 1786988414, "alerts": [], "rank": 3429}, {"candidate_id": "ODC-1A7F00", "res_at": 1789308636, "skeleton": "IHIDYIQNTJBWAH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 36.755, "axes": {"activity": 10.94, "binding": 11.46, "selectivity": 4.24, "admet": 4.8, "novelty": 2.71, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.257, "fraction": 0.365}, "binding": {"pIC50": 6.72, "LE": 0.384, "potency_term": 0.573, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.502, "cyp3a4-substrate-carbonmangels": 0.46, "ld50-zhu": 0.558, "herg": 0.467, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.2565506371980355, "aff_pf": -0.7190170288085938, "aff_hs": 0.02104621132214864, "repeats_pf": {"runs": 3, "values": [-0.7993, -0.6491, -0.7087], "mean": -0.719, "spread": 0.1502}, "repeats_hs": {"runs": 3, "values": [0.0161, 0.0839, -0.0369], "mean": 0.021, "spread": 0.1208}, "at": 1789308636}, "tier": 1, "alerts": [], "total_sd": 0.736, "total_ci95": [35.32, 38.336], "relegate_reason": [], "submitted_at": 1789307757, "scored_at": 1789308636, "rank": 3430}, {"candidate_id": "ODC-982A9D", "res_at": 1786903784, "skeleton": "YZFDVJNETXFELT", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "anthropic/claude-opus-5 (Claude Code + RDKit / AutoDock Vina pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.754, "axes": {"activity": 8.73, "binding": 13.58, "selectivity": 5.58, "admet": 3.77, "novelty": 2.04, "synthesis": 3.05}, "detail": {"activity": {"pAct_q10": 5.124, "fraction": 0.291}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.167, "cyp3a4-substrate-carbonmangels": 0.212, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.124029619606483, "aff_pf": -1.0371113618214924, "aff_hs": -0.21515963474909464, "repeats_pf": {"runs": 3, "values": [-1.1215, -1.0386, -0.9512], "mean": -1.0371, "spread": 0.1702}, "repeats_hs": {"runs": 3, "values": [-0.1968, -0.2066, -0.2421], "mean": -0.2152, "spread": 0.0453}, "at": 1786903784}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891190, "scored_at": 1786903784, "alerts": [], "rank": 3431}, {"candidate_id": "ODC-56E8E2", "res_at": 1787490988, "skeleton": "KJYYKFHVGKPCMG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-LMA19]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 36.726, "axes": {"activity": 10.03, "binding": 10.76, "selectivity": 7.5, "admet": 2.98, "novelty": 3.0, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.202, "fraction": 0.334}, "binding": {"pIC50": 6.61, "LE": 0.348, "potency_term": 0.538, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.092, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.687, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.621, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.20158228913014, "aff_pf": -0.6138273676236471, "aff_hs": 0.7800426681836446, "repeats_pf": {"runs": 3, "values": [-0.5873, -0.6245, -0.6298], "mean": -0.6138, "spread": 0.0425}, "repeats_hs": {"runs": 3, "values": [0.7716, 0.7839, 0.7846], "mean": 0.78, "spread": 0.013}, "at": 1787490988}, "tier": 1, "relegate_reason": [], "submitted_at": 1787489663, "scored_at": 1787490988, "alerts": [], "rank": 3432}, {"candidate_id": "ODC-266DD1", "res_at": 1787614754, "skeleton": "ZYXLAIZLEFYGDK", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 1-메틸아제티딘-3-일 (4원 N)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.716, "axes": {"activity": 18.99, "binding": 4.95, "selectivity": 2.67, "admet": 3.23, "novelty": 4.22, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.739, "fraction": 0.633}, "binding": {"pIC50": 6.0, "LE": 0.222, "potency_term": 0.334, "efficiency_cap": 0.741}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.334}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.347, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.43, "herg": 0.05, "dili": 0.271}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.739385386197236, "aff_pf": -0.0026411513487497964, "aff_hs": 0.7969355980555216, "repeats_pf": {"runs": 3, "values": [-0.581, 0.0064, 0.5667], "mean": -0.0026, "spread": 1.1477}, "repeats_hs": {"runs": 3, "values": [0.8214, 0.8139, 0.7555], "mean": 0.7969, "spread": 0.066}, "at": 1787614754}, "tier": 1, "relegate_reason": [], "submitted_at": 1787614400, "scored_at": 1787614754, "alerts": [], "rank": 3433}, {"candidate_id": "ODC-FEFA9C", "res_at": 1786857634, "skeleton": "XWRGEKYHBGVONB", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········nc2n1", "total": 36.71, "axes": {"activity": 11.19, "binding": 11.42, "selectivity": 5.09, "admet": 3.68, "novelty": 2.76, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 6.71, "LE": 0.4, "potency_term": 0.571, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.571}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.948, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.563, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.158, "herg": 0.869, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.271284032152081, "aff_pf": -0.7131351431210836, "aff_hs": 0.17857940991719565, "repeats_pf": {"runs": 3, "values": [-0.661, -0.6633, -0.8151], "mean": -0.7131, "spread": 0.1541}, "repeats_hs": {"runs": 3, "values": [0.1729, 0.1988, 0.164], "mean": 0.1786, "spread": 0.0348}, "at": 1786857634}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848308, "scored_at": 1786857634, "alerts": [], "rank": 3434}, {"candidate_id": "ODC-419F18", "res_at": 1789333160, "skeleton": "LDKNQTYJVIELKO", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-15_AzetO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.707, "axes": {"activity": 17.62, "binding": 7.06, "selectivity": 1.03, "admet": 4.73, "novelty": 3.59, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.657, "fraction": 0.587}, "binding": {"pIC50": 6.06, "LE": 0.346, "potency_term": 0.353, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.145, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.577, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.877, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.467, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.657124265440122, "aff_pf": -0.059650340427954994, "aff_hs": 0.23088465134302774, "repeats_pf": {"runs": 3, "values": [-0.1475, 0.0268, -0.0582], "mean": -0.0597, "spread": 0.1743}, "repeats_hs": {"runs": 3, "values": [0.2428, 0.2095, 0.2404], "mean": 0.2309, "spread": 0.0333}, "at": 1789333160}, "tier": 1, "alerts": [], "total_sd": 0.482, "total_ci95": [35.769, 37.753], "relegate_reason": [], "submitted_at": 1789322874, "scored_at": 1789333160, "rank": 3435}, {"candidate_id": "ODC-AC0E17", "res_at": 1787566828, "skeleton": "DGPQREOCUAVQLX", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.703, "axes": {"activity": 19.43, "binding": 6.71, "selectivity": 0.85, "admet": 2.63, "novelty": 4.32, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.766, "fraction": 0.648}, "binding": {"pIC50": 6.32, "LE": 0.228, "potency_term": 0.441, "efficiency_cap": 0.76}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.441}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.418, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.386, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.765528814607098, "aff_pf": -0.3238782733678818, "aff_hs": -0.13033057749271393, "repeats_pf": {"runs": 3, "values": [-0.2478, -0.3492, -0.3746], "mean": -0.3239, "spread": 0.1269}, "repeats_hs": {"runs": 3, "values": [-0.1449, -0.129, -0.1171], "mean": -0.1303, "spread": 0.0277}, "at": 1787566828}, "tier": 1, "relegate_reason": [], "submitted_at": 1787557279, "scored_at": 1787566828, "alerts": [], "rank": 3436}, {"candidate_id": "ODC-6E5A6F", "res_at": 1787494068, "skeleton": "JAGYTDQNUIWTDJ", "hf_user": "takutoyo", "display_name": "PfD15-13", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 36.697, "axes": {"activity": 17.36, "binding": 9.63, "selectivity": 1.52, "admet": 2.32, "novelty": 3.74, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.642, "fraction": 0.579}, "binding": {"pIC50": 6.7, "LE": 0.255, "potency_term": 0.566, "efficiency_cap": 0.85}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.298, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.444, "herg": 0.05, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.641523489525529, "aff_pf": -0.6991411248842875, "aff_hs": -0.4305405517419179, "repeats_pf": {"runs": 3, "values": [-0.7395, -0.66, -0.698], "mean": -0.6991, "spread": 0.0796}, "repeats_hs": {"runs": 3, "values": [-0.3358, -0.6251, -0.3308], "mean": -0.4305, "spread": 0.2943}, "at": 1787494068}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491615, "scored_at": 1787494068, "alerts": [], "rank": 3437}, {"candidate_id": "ODC-2C13FF", "res_at": 1786782448, "skeleton": "NXGLSTCLXDPYBL", "hf_user": "ipsych", "display_name": "PYZ-CF3-4CF3-3Cl", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 36.684, "axes": {"activity": 13.62, "binding": 13.71, "selectivity": 2.02, "admet": 3.65, "novelty": 1.41, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 7.06, "LE": 0.312, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.147, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.697, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.867, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.794, "novelty": 0.206}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "3", "pAct_q10": 5.417036262097162, "aff_pf": -1.0559508005777996, "aff_hs": -0.7616385022799174, "repeats_pf": {"runs": 3, "values": [-1.0608, -1.0478, -1.0592], "mean": -1.056, "spread": 0.013}, "repeats_hs": {"runs": 3, "values": [-0.7928, -0.7448, -0.7473], "mean": -0.7616, "spread": 0.0479}, "at": 1786782448}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779771, "scored_at": 1786782448, "alerts": [], "rank": 3438}, {"candidate_id": "ODC-22CBF8", "res_at": 1786927981, "skeleton": "DTJCHESTNOFHTR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-009 diagnostic 80-target", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 36.68, "axes": {"activity": 17.65, "binding": 6.67, "selectivity": 3.67, "admet": 2.55, "novelty": 3.27, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.659, "fraction": 0.588}, "binding": {"pIC50": 6.08, "LE": 0.278, "potency_term": 0.36, "efficiency_cap": 0.926}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.36}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.11, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.33, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "1", "pAct_q10": 5.658845287508812, "aff_pf": -0.08137207229932149, "aff_hs": 0.9369613925615946, "repeats_pf": {"runs": 3, "values": [-0.0321, -0.1377, -0.0742], "mean": -0.0814, "spread": 0.1056}, "repeats_hs": {"runs": 3, "values": [0.9474, 0.931, 0.9325], "mean": 0.937, "spread": 0.0164}, "at": 1786927981}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924471, "scored_at": 1786927981, "alerts": [], "rank": 3439}, {"candidate_id": "ODC-45E2E5", "res_at": 1787100000, "skeleton": "QUIQQQKDKQTHCD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNc1··········)cc1F", "total": 36.673, "axes": {"activity": 18.03, "binding": 9.19, "selectivity": 0.93, "admet": 3.55, "novelty": 2.17, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 6.38, "LE": 0.324, "potency_term": 0.459, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.459}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.773, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.389, "ld50-zhu": 0.442, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.639, "novelty": 0.361}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.681934433902839, "aff_pf": -0.3777518371740977, "aff_hs": -0.17533199985822043, "repeats_pf": {"runs": 3, "values": [-0.3709, -0.4021, -0.3603], "mean": -0.3778, "spread": 0.0417}, "repeats_hs": {"runs": 3, "values": [-0.2567, -0.0812, -0.1881], "mean": -0.1753, "spread": 0.1755}, "at": 1787100000}, "tier": 1, "relegate_reason": [], "submitted_at": 1787099636, "scored_at": 1787100000, "alerts": [], "rank": 3440}, {"candidate_id": "ODC-2F896E", "res_at": 1786946033, "skeleton": "RQABQWHDFGUUNB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-011 aggressive 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 36.649, "axes": {"activity": 16.26, "binding": 9.77, "selectivity": 2.81, "admet": 2.27, "novelty": 3.22, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.576, "fraction": 0.542}, "binding": {"pIC50": 6.47, "LE": 0.328, "potency_term": 0.488, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.411, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.722, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 5.575519283370351, "aff_pf": -0.4654946227868398, "aff_hs": 0.10966267188390096, "repeats_pf": {"runs": 3, "values": [-0.444, -0.5444, -0.4081], "mean": -0.4655, "spread": 0.1364}, "repeats_hs": {"runs": 3, "values": [-0.0397, 0.3257, 0.043], "mean": 0.1097, "spread": 0.3653}, "at": 1786946033}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934299, "scored_at": 1786946033, "alerts": [], "rank": 3441}, {"candidate_id": "ODC-CA2000", "res_at": 1788081630, "skeleton": "JVJSPHHVIBOLSG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.624, "axes": {"activity": 12.94, "binding": 10.17, "selectivity": 5.09, "admet": 4.29, "novelty": 1.62, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 6.53, "LE": 0.406, "potency_term": 0.509, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.5, "target_engagement": 0.509}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.759, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.372, "herg": 0.631, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.681, "novelty": 0.319}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 5.376157263078316, "aff_pf": -0.5257585446039835, "aff_hs": 0.4750780959924062, "repeats_pf": {"runs": 3, "values": [-0.5406, -0.5383, -0.4984], "mean": -0.5258, "spread": 0.0421}, "repeats_hs": {"runs": 3, "values": [0.4854, 0.5941, 0.3457], "mean": 0.4751, "spread": 0.2483}, "at": 1788081630}, "tier": 1, "alerts": [], "total_sd": 0.395, "total_ci95": [35.882, 37.34], "relegate_reason": [], "submitted_at": 1788063224, "scored_at": 1788081630, "rank": 3442}, {"candidate_id": "ODC-1F88F2", "res_at": 1788815243, "skeleton": "RIKBVPZCKLWISX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 36.623, "axes": {"activity": 10.48, "binding": 12.69, "selectivity": 4.28, "admet": 3.53, "novelty": 2.61, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 6.9, "LE": 0.394, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.337, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.285, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.228749345103169, "aff_pf": -0.9035297830899557, "aff_hs": -0.22939894596735635, "repeats_pf": {"runs": 3, "values": [-0.8891, -0.8667, -0.9547], "mean": -0.9035, "spread": 0.088}, "repeats_hs": {"runs": 3, "values": [-0.2005, -0.2108, -0.2769], "mean": -0.2294, "spread": 0.0764}, "at": 1788815243}, "tier": 1, "alerts": [], "total_sd": 0.432, "total_ci95": [35.888, 37.682], "relegate_reason": [], "submitted_at": 1788738124, "scored_at": 1788815243, "rank": 3443}, {"candidate_id": "ODC-BB1BE5", "res_at": 1789518208, "skeleton": "DUZMHCMCYAMFFX", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 36.623, "axes": {"activity": 15.07, "binding": 10.38, "selectivity": 3.46, "admet": 3.23, "novelty": 3.06, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.504, "fraction": 0.502}, "binding": {"pIC50": 6.72, "LE": 0.271, "potency_term": 0.575, "efficiency_cap": 0.903}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.575}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.532, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.972, "ld50-zhu": 0.991, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "0", "pAct_q10": 5.504305142759229, "aff_pf": -0.7237672607103983, "aff_hs": -0.12173999349276225, "repeats_pf": {"runs": 3, "values": [-0.7016, -0.6521, -0.8176], "mean": -0.7238, "spread": 0.1656}, "repeats_hs": {"runs": 3, "values": [-0.1523, -0.1211, -0.0919], "mean": -0.1217, "spread": 0.0604}, "at": 1789518208}, "tier": 1, "alerts": [], "total_sd": 0.817, "total_ci95": [35.434, 38.568], "relegate_reason": [], "submitted_at": 1789517702, "scored_at": 1789518208, "rank": 3444}, {"candidate_id": "ODC-4A3DD7", "res_at": 1786952368, "skeleton": "GZUWYWALDDMSNP", "hf_user": "takutoyo", "display_name": "PfD2-B2", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 36.619, "axes": {"activity": 19.67, "binding": 4.4, "selectivity": 2.62, "admet": 4.07, "novelty": 3.83, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.78, "fraction": 0.656}, "binding": {"pIC50": 5.86, "LE": 0.229, "potency_term": 0.287, "efficiency_cap": 0.765}, "selectivity": {"fold": 8.2, "selectivity_term": 0.456, "target_engagement": 0.287}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 0.904, "pgp-broccatelli": 0.712, "cyp2c9-veith": 0.971, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.751, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.416, "novelty": 0.584}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "2", "pAct_q10": 5.7804679645000245, "aff_pf": 0.13790145268042883, "aff_hs": 1.0498497088750203, "repeats_pf": {"runs": 3, "values": [0.0523, 0.2191, 0.1423], "mean": 0.1379, "spread": 0.1668}, "repeats_hs": {"runs": 3, "values": [0.9319, 1.1176, 1.1001], "mean": 1.0498, "spread": 0.1857}, "at": 1786952368}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950192, "scored_at": 1786952368, "alerts": [], "rank": 3445}, {"candidate_id": "ODC-AEE181", "res_at": 1786868575, "skeleton": "ULZUYUHKRPQMCZ", "hf_user": "ALEX32321", "display_name": "ALEXAI-ATTACK-02", "model_name": "OpenCrab-ALEXAI attack panel v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.61, "axes": {"activity": 9.96, "binding": 11.74, "selectivity": 5.25, "admet": 4.26, "novelty": 2.83, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.198, "fraction": 0.332}, "binding": {"pIC50": 6.76, "LE": 0.37, "potency_term": 0.587, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.587}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.665, "ld50-zhu": 0.43, "herg": 0.212, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.197856824969977, "aff_pf": -0.7604665358861288, "aff_hs": 0.1334594984849294, "repeats_pf": {"runs": 3, "values": [-0.8027, -0.7594, -0.7193], "mean": -0.7605, "spread": 0.0833}, "repeats_hs": {"runs": 3, "values": [-0.0498, 0.2388, 0.2114], "mean": 0.1335, "spread": 0.2885}, "at": 1786868575}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863627, "scored_at": 1786868575, "alerts": [], "rank": 3446}, {"candidate_id": "ODC-89AFF0", "res_at": 1787421577, "skeleton": "HQFSXWOUGJCKQC", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 36.593, "axes": {"activity": 18.81, "binding": 5.3, "selectivity": 2.86, "admet": 2.42, "novelty": 4.53, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.728, "fraction": 0.627}, "binding": {"pIC50": 6.06, "LE": 0.224, "potency_term": 0.354, "efficiency_cap": 0.748}, "selectivity": {"fold": 6.4, "selectivity_term": 0.404, "target_engagement": 0.354}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.728, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.728402559288755, "aff_pf": -0.062029694517453514, "aff_hs": 0.7459290027618408, "repeats_pf": {"runs": 3, "values": [-0.0793, -0.2455, 0.1387], "mean": -0.062, "spread": 0.3842}, "repeats_hs": {"runs": 3, "values": [0.662, 0.7054, 0.8703], "mean": 0.7459, "spread": 0.2083}, "at": 1787421577}, "tier": 1, "relegate_reason": [], "submitted_at": 1787420969, "scored_at": 1787421577, "alerts": [], "rank": 3447}, {"candidate_id": "ODC-73B580", "res_at": 1787625638, "skeleton": "WGMLVIRSJNGAEO", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········nc2n1", "total": 36.589, "axes": {"activity": 3.83, "binding": 13.49, "selectivity": 7.99, "admet": 4.37, "novelty": 4.09, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 4.83, "fraction": 0.128}, "binding": {"pIC50": 7.02, "LE": 0.37, "potency_term": 0.675, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.3, "selectivity_term": 0.592, "target_engagement": 0.675}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.077, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.762, "ld50-zhu": 0.426, "herg": 0.307, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 4.8300964406517295, "aff_pf": -1.023788849512736, "aff_hs": 0.16066070894400278, "repeats_pf": {"runs": 3, "values": [-0.9917, -1.0717, -1.0079], "mean": -1.0238, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [0.1534, 0.1532, 0.1754], "mean": 0.1607, "spread": 0.0222}, "at": 1787625638}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621032, "scored_at": 1787625638, "alerts": [], "rank": 3448}, {"candidate_id": "ODC-89C489", "res_at": 1789952031, "skeleton": "DVOYCEAQYHRICS", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCC··········)COC1", "total": 36.58, "axes": {"activity": 16.32, "binding": 8.21, "selectivity": 3.72, "admet": 2.58, "novelty": 3.63, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 6.49, "LE": 0.247, "potency_term": 0.498, "efficiency_cap": 0.824}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.498}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.229, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.579440403225906, "aff_pf": -0.4944738745689392, "aff_hs": 0.2523985008398692, "repeats_pf": {"runs": 3, "values": [-0.5204, -0.4291, -0.5339], "mean": -0.4945, "spread": 0.1047}, "repeats_hs": {"runs": 3, "values": [0.1771, 0.3879, 0.1922], "mean": 0.2524, "spread": 0.2107}, "at": 1789952031}, "tier": 1, "alerts": [], "total_sd": 0.482, "total_ci95": [35.721, 37.481], "relegate_reason": [], "submitted_at": 1789837513, "scored_at": 1789952031, "rank": 3449}, {"candidate_id": "ODC-76B486", "res_at": 1789059795, "skeleton": "RYXZPANZMDNKGL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.578, "axes": {"activity": 14.24, "binding": 9.55, "selectivity": 4.75, "admet": 3.68, "novelty": 2.31, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 6.43, "LE": 0.367, "potency_term": 0.477, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.497, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.529, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.914, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.586, "herg": 0.192, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.454471078130894, "aff_pf": -0.4324725071589152, "aff_hs": 0.5623720288276672, "repeats_pf": {"runs": 3, "values": [-0.4309, -0.5038, -0.3627], "mean": -0.4325, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [0.6256, 0.418, 0.6435], "mean": 0.5624, "spread": 0.2255}, "at": 1789059795}, "tier": 1, "alerts": [], "total_sd": 0.699, "total_ci95": [35.497, 38.018], "relegate_reason": [], "submitted_at": 1789041411, "scored_at": 1789059795, "rank": 3450}, {"candidate_id": "ODC-A71A66", "res_at": 1789092232, "skeleton": "RMCUNSLPPBULCZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 36.573, "axes": {"activity": 11.56, "binding": 11.13, "selectivity": 5.57, "admet": 4.15, "novelty": 2.23, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.385}, "binding": {"pIC50": 6.67, "LE": 0.315, "potency_term": 0.557, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.501, "target_engagement": 0.557}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.963, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.845, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.293787146271871, "aff_pf": -0.6701427698135376, "aff_hs": 0.33119725187619525, "repeats_pf": {"runs": 3, "values": [-0.643, -0.6766, -0.6908], "mean": -0.6701, "spread": 0.0477}, "repeats_hs": {"runs": 3, "values": [0.2694, 0.2884, 0.4358], "mean": 0.3312, "spread": 0.1665}, "at": 1789092232}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [35.905, 37.29], "relegate_reason": [], "submitted_at": 1789088791, "scored_at": 1789092232, "rank": 3451}, {"candidate_id": "ODC-303930", "res_at": 1787495497, "skeleton": "AHWQVUNEKSSEFL", "hf_user": "takutoyo", "display_name": "PfD15-20", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 36.571, "axes": {"activity": 19.47, "binding": 7.33, "selectivity": 0.07, "admet": 3.44, "novelty": 4.17, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.768, "fraction": 0.649}, "binding": {"pIC50": 6.36, "LE": 0.242, "potency_term": 0.454, "efficiency_cap": 0.807}, "selectivity": {"fold": 1.0, "selectivity_term": 0.007, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.287, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.975, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.869, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "3", "pAct_q10": 5.768204748782818, "aff_pf": -0.3616284430027008, "aff_hs": -0.3472317010164261, "repeats_pf": {"runs": 3, "values": [-0.395, -0.307, -0.3829], "mean": -0.3616, "spread": 0.0879}, "repeats_hs": {"runs": 3, "values": [-0.3959, -0.6063, -0.0395], "mean": -0.3472, "spread": 0.5668}, "at": 1787495497}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491699, "scored_at": 1787495497, "alerts": [], "rank": 3452}, {"candidate_id": "ODC-2A14B9", "res_at": 1786976161, "skeleton": "BIVNTXSUTQANHX", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.566, "axes": {"activity": 12.94, "binding": 12.31, "selectivity": 2.45, "admet": 4.61, "novelty": 1.71, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 6.85, "LE": 0.361, "potency_term": 0.616, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.616}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.573, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.604, "herg": 0.129, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.722, "novelty": 0.278}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.37621631440055, "aff_pf": -0.8472061554590861, "aff_hs": -0.44857944051424664, "repeats_pf": {"runs": 3, "values": [-0.805, -0.8226, -0.914], "mean": -0.8472, "spread": 0.109}, "repeats_hs": {"runs": 3, "values": [-0.4131, -0.4863, -0.4463], "mean": -0.4486, "spread": 0.0732}, "at": 1786976161}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975509, "scored_at": 1786976161, "alerts": [], "rank": 3453}, {"candidate_id": "ODC-DC9934", "res_at": 1789959207, "skeleton": "OJHJBZDJACBVFM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········2)cc1", "total": 36.564, "axes": {"activity": 18.22, "binding": 7.45, "selectivity": 2.92, "admet": 2.38, "novelty": 2.57, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.693, "fraction": 0.607}, "binding": {"pIC50": 6.35, "LE": 0.249, "potency_term": 0.45, "efficiency_cap": 0.828}, "selectivity": {"fold": 4.5, "selectivity_term": 0.324, "target_engagement": 0.45}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 0.744, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.66, "ld50-zhu": 0.505, "herg": 0.05, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "0", "pAct_q10": 5.693249326783395, "aff_pf": -0.3486252228418986, "aff_hs": 0.29995793104171753, "repeats_pf": {"runs": 3, "values": [-0.4144, -0.321, -0.3104], "mean": -0.3486, "spread": 0.1041}, "repeats_hs": {"runs": 3, "values": [0.4789, 0.1739, 0.247], "mean": 0.3, "spread": 0.305}, "at": 1789959207}, "tier": 1, "alerts": [], "total_sd": 0.511, "total_ci95": [35.661, 37.576], "relegate_reason": [], "submitted_at": 1789907288, "scored_at": 1789959207, "rank": 3454}, {"candidate_id": "ODC-C6C426", "res_at": 1787556113, "skeleton": "XPIQAQKFHPVJEN", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DOM01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C(F)F", "total": 36.548, "axes": {"activity": 14.57, "binding": 10.64, "selectivity": 3.38, "admet": 3.04, "novelty": 2.8, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.679, "ld50-zhu": 0.877, "herg": 0.085, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.474262965852044, "aff_pf": -0.596583346525828, "aff_hs": 0.03784826397895813, "repeats_pf": {"runs": 3, "values": [-0.5922, -0.6841, -0.5134], "mean": -0.5966, "spread": 0.1707}, "repeats_hs": {"runs": 3, "values": [-0.1335, 0.2881, -0.041], "mean": 0.0378, "spread": 0.4215}, "at": 1787556113}, "tier": 1, "relegate_reason": [], "submitted_at": 1787543459, "scored_at": 1787556113, "alerts": [], "rank": 3455}, {"candidate_id": "ODC-267D51", "res_at": 1786899589, "skeleton": "ZWOVMAKABDHXKW", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Codex-PfDHODH-Target80", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.541, "axes": {"activity": 11.93, "binding": 10.56, "selectivity": 5.93, "admet": 3.69, "novelty": 2.07, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.316, "fraction": 0.398}, "binding": {"pIC50": 6.58, "LE": 0.347, "potency_term": 0.528, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.3, "selectivity_term": 0.562, "target_engagement": 0.528}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.488, "cyp3a4-substrate-carbonmangels": 0.235, "ld50-zhu": 0.6, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.315747529858905, "aff_pf": -0.5840117136637369, "aff_hs": 0.5390005906422933, "repeats_pf": {"runs": 3, "values": [-0.5454, -0.6672, -0.5394], "mean": -0.584, "spread": 0.1278}, "repeats_hs": {"runs": 3, "values": [0.5535, 0.5104, 0.5531], "mean": 0.539, "spread": 0.0431}, "at": 1786899589}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887241, "scored_at": 1786899589, "alerts": [], "rank": 3456}, {"candidate_id": "ODC-E2BE0B", "res_at": 1786934937, "skeleton": "USTOWKRDVWLRSC", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 36.538, "axes": {"activity": 16.71, "binding": 7.77, "selectivity": 3.13, "admet": 2.86, "novelty": 3.61, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.26, "LE": 0.277, "potency_term": 0.421, "efficiency_cap": 0.923}, "selectivity": {"fold": 5.5, "selectivity_term": 0.372, "target_engagement": 0.421}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.449, "cyp2c9-veith": 0.417, "cyp3a4-substrate-carbonmangels": 0.472, "ld50-zhu": 0.579, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.602555860242467, "aff_pf": -0.2628766894340515, "aff_hs": 0.4802689552307129, "repeats_pf": {"runs": 3, "values": [-0.2531, -0.2593, -0.2762], "mean": -0.2629, "spread": 0.023}, "repeats_hs": {"runs": 3, "values": [0.5212, 0.4776, 0.442], "mean": 0.4803, "spread": 0.0793}, "at": 1786934937}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925680, "scored_at": 1786934937, "alerts": [], "rank": 3457}, {"candidate_id": "ODC-44E21F", "res_at": 1789619395, "skeleton": "XSIGUEYZIDVABM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 36.466, "axes": {"activity": 14.11, "binding": 10.93, "selectivity": 2.86, "admet": 3.23, "novelty": 3.85, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.47}, "binding": {"pIC50": 6.75, "LE": 0.28, "potency_term": 0.585, "efficiency_cap": 0.935}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.338, "hia-hou": 0.732, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 4.09}}, "run": {"gpu": "0", "pAct_q10": 5.4467645711357875, "aff_pf": -0.7535804708798727, "aff_hs": -0.2639782726764679, "repeats_pf": {"runs": 3, "values": [-0.7969, -0.7051, -0.7587], "mean": -0.7536, "spread": 0.0919}, "repeats_hs": {"runs": 3, "values": [-0.3194, -0.232, -0.2405], "mean": -0.264, "spread": 0.0874}, "at": 1789619395}, "tier": 1, "alerts": [], "total_sd": 0.497, "total_ci95": [35.437, 37.389], "relegate_reason": [], "submitted_at": 1789617749, "scored_at": 1789619395, "rank": 3458}, {"candidate_id": "ODC-D47D59", "res_at": 1786832164, "skeleton": "YUFKEZSLHZUKDN", "hf_user": "rkrkrkekekek", "display_name": "zzzzz", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.45, "axes": {"activity": 5.96, "binding": 13.27, "selectivity": 7.84, "admet": 3.72, "novelty": 2.77, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 4.958, "fraction": 0.199}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.2, "selectivity_term": 0.591, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.241, "herg": 0.33, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 4.95767323865399, "aff_pf": -0.9905563990275065, "aff_hs": 0.19126415252685547, "repeats_pf": {"runs": 3, "values": [-0.9783, -0.9518, -1.0415], "mean": -0.9906, "spread": 0.0898}, "repeats_hs": {"runs": 3, "values": [0.1679, 0.155, 0.251], "mean": 0.1913, "spread": 0.096}, "at": 1786832164}, "tier": 1, "relegate_reason": [], "submitted_at": 1786800896, "scored_at": 1786832164, "alerts": [], "rank": 3459}, {"candidate_id": "ODC-A6186B", "res_at": 1787296138, "skeleton": "UNDNAGDXKFGAKD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 36.446, "axes": {"activity": 15.28, "binding": 9.02, "selectivity": 3.68, "admet": 2.83, "novelty": 3.23, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.509}, "binding": {"pIC50": 6.58, "LE": 0.257, "potency_term": 0.526, "efficiency_cap": 0.858}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.526}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.913, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.516684186180675, "aff_pf": -0.5772226452827454, "aff_hs": 0.12265669306119283, "repeats_pf": {"runs": 3, "values": [-0.6149, -0.5694, -0.5473], "mean": -0.5772, "spread": 0.0676}, "repeats_hs": {"runs": 3, "values": [0.1026, 0.1294, 0.136], "mean": 0.1227, "spread": 0.0334}, "at": 1787296138}, "tier": 1, "relegate_reason": [], "submitted_at": 1787295865, "scored_at": 1787296138, "alerts": [], "rank": 3460}, {"candidate_id": "ODC-4DBCF1", "res_at": 1786954340, "skeleton": "GOSWWIYXDJTJKU", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.442, "axes": {"activity": 10.42, "binding": 10.42, "selectivity": 7.09, "admet": 3.15, "novelty": 2.96, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 6.56, "LE": 0.409, "potency_term": 0.521, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.346, "herg": 0.397, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.225298769444543, "aff_pf": -0.5628937284151713, "aff_hs": 0.7989449898401896, "repeats_pf": {"runs": 3, "values": [-0.5448, -0.54, -0.6039], "mean": -0.5629, "spread": 0.0639}, "repeats_hs": {"runs": 3, "values": [0.8191, 0.8113, 0.7664], "mean": 0.7989, "spread": 0.0528}, "at": 1786954340}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949096, "scored_at": 1786954340, "alerts": [], "rank": 3461}, {"candidate_id": "ODC-157905", "res_at": 1787498318, "skeleton": "YSXPLHRSTJVKFQ", "hf_user": "takutoyo", "display_name": "PfD15-28", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········cn2n1", "total": 36.438, "axes": {"activity": 15.99, "binding": 10.94, "selectivity": 2.74, "admet": 1.92, "novelty": 2.73, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.559, "fraction": 0.533}, "binding": {"pIC50": 6.76, "LE": 0.28, "potency_term": 0.585, "efficiency_cap": 0.935}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.363, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.39, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.559105494294055, "aff_pf": -0.7551944255828857, "aff_hs": -0.2868521362543106, "repeats_pf": {"runs": 3, "values": [-0.498, -0.8341, -0.9335], "mean": -0.7552, "spread": 0.4355}, "repeats_hs": {"runs": 3, "values": [-0.3022, -0.1637, -0.3946], "mean": -0.2869, "spread": 0.2309}, "at": 1787498318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491812, "scored_at": 1787498318, "alerts": [], "rank": 3462}, {"candidate_id": "ODC-1B69E7", "res_at": 1789175399, "skeleton": "SYIXJKRSCKDSTH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.435, "axes": {"activity": 9.17, "binding": 12.52, "selectivity": 5.11, "admet": 4.05, "novelty": 2.91, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.15, "fraction": 0.306}, "binding": {"pIC50": 6.88, "LE": 0.377, "potency_term": 0.626, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.408, "target_engagement": 0.626}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.552, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.779, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.150260647302648, "aff_pf": -0.8777386744817098, "aff_hs": -0.062064215540885925, "repeats_pf": {"runs": 3, "values": [-0.9805, -0.8771, -0.7757], "mean": -0.8777, "spread": 0.2048}, "repeats_hs": {"runs": 3, "values": [-0.3079, -0.1119, 0.2336], "mean": -0.0621, "spread": 0.5416}, "at": 1789175399}, "tier": 1, "alerts": [], "total_sd": 1.387, "total_ci95": [33.944, 39.04], "relegate_reason": [], "submitted_at": 1789173881, "scored_at": 1789175399, "rank": 3463}, {"candidate_id": "ODC-26540A", "res_at": 1786948484, "skeleton": "NXGLSTCLXDPYBL", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 36.416, "axes": {"activity": 13.62, "binding": 13.53, "selectivity": 1.87, "admet": 3.75, "novelty": 1.4, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 7.03, "LE": 0.311, "potency_term": 0.676, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.676}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.697, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.867, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.794, "novelty": 0.206}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "2", "pAct_q10": 5.417036262097162, "aff_pf": -1.0293958981831868, "aff_hs": -0.75249715646108, "repeats_pf": {"runs": 3, "values": [-1.0692, -1.0218, -0.9972], "mean": -1.0294, "spread": 0.072}, "repeats_hs": {"runs": 3, "values": [-0.5938, -0.9122, -0.7515], "mean": -0.7525, "spread": 0.3184}, "at": 1786948484}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937519, "scored_at": 1786948484, "alerts": [], "rank": 3464}, {"candidate_id": "ODC-2ACECF", "res_at": 1786854129, "skeleton": "DUPPMHKNGSTIHE", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 36.416, "axes": {"activity": 17.62, "binding": 7.84, "selectivity": 2.7, "admet": 3.26, "novelty": 2.89, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.657, "fraction": 0.587}, "binding": {"pIC50": 6.18, "LE": 0.325, "potency_term": 0.392, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.353, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.507, "novelty": 0.493}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "2", "pAct_q10": 5.657221389154798, "aff_pf": -0.176566019654274, "aff_hs": 0.511615256468455, "repeats_pf": {"runs": 3, "values": [-0.1608, -0.2391, -0.1297], "mean": -0.1766, "spread": 0.1094}, "repeats_hs": {"runs": 3, "values": [0.5274, 0.4901, 0.5173], "mean": 0.5116, "spread": 0.0373}, "at": 1786854129}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847554, "scored_at": 1786854129, "alerts": [], "rank": 3465}, {"candidate_id": "ODC-21A4D1", "res_at": 1787047794, "skeleton": "KVTWXRCSMIMHGB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-017 exact-mask QC", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 36.41, "axes": {"activity": 17.84, "binding": 7.25, "selectivity": 2.81, "admet": 2.62, "novelty": 3.5, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.67, "fraction": 0.595}, "binding": {"pIC50": 6.32, "LE": 0.247, "potency_term": 0.44, "efficiency_cap": 0.824}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.338, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.670107477658268, "aff_pf": -0.31891075770060223, "aff_hs": 0.32047322392463684, "repeats_pf": {"runs": 3, "values": [-0.3746, -0.3389, -0.2433], "mean": -0.3189, "spread": 0.1313}, "repeats_hs": {"runs": 3, "values": [0.2821, 0.2532, 0.4262], "mean": 0.3205, "spread": 0.173}, "at": 1787047794}, "tier": 1, "relegate_reason": [], "submitted_at": 1787042036, "scored_at": 1787047794, "alerts": [], "rank": 3466}, {"candidate_id": "ODC-138A40", "res_at": 1787231819, "skeleton": "HLDSAPKKTAWHGH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········C1CC1", "total": 36.407, "axes": {"activity": 15.91, "binding": 9.25, "selectivity": 3.12, "admet": 4.45, "novelty": 1.08, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.53}, "binding": {"pIC50": 6.39, "LE": 0.365, "potency_term": 0.463, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.337, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.187, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.688, "herg": 0.137, "dili": 0.425}}, "novelty": {"max_tanimoto": 0.796, "novelty": 0.204}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.55469450505831, "aff_pf": -0.3876354694366455, "aff_hs": 0.2859418789545695, "repeats_pf": {"runs": 3, "values": [-0.4531, -0.4646, -0.2452], "mean": -0.3876, "spread": 0.2194}, "repeats_hs": {"runs": 3, "values": [0.1775, 0.484, 0.1963], "mean": 0.2859, "spread": 0.3066}, "at": 1787231819}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231505, "scored_at": 1787231819, "alerts": [], "rank": 3467}, {"candidate_id": "ODC-DA8E26", "res_at": 1787565646, "skeleton": "ZCEYOBYCBRTMLN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 36.405, "axes": {"activity": 17.63, "binding": 7.27, "selectivity": 0.52, "admet": 5.15, "novelty": 4.31, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.658, "fraction": 0.588}, "binding": {"pIC50": 6.1, "LE": 0.298, "potency_term": 0.366, "efficiency_cap": 0.994}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.366}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.881, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 0.722, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 4.18}}, "run": {"gpu": "3", "pAct_q10": 5.657574368349178, "aff_pf": -0.09653591612974803, "aff_hs": 0.04636741181214651, "repeats_pf": {"runs": 3, "values": [0.0635, -0.1625, -0.1907], "mean": -0.0965, "spread": 0.2542}, "repeats_hs": {"runs": 3, "values": [0.0407, 0.0299, 0.0684], "mean": 0.0464, "spread": 0.0385}, "at": 1787565646}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556977, "scored_at": 1787565646, "alerts": [], "rank": 3468}, {"candidate_id": "ODC-A9EB87", "res_at": 1787028246, "skeleton": "BRPFCHPFWYMNSQ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.402, "axes": {"activity": 7.6, "binding": 10.32, "selectivity": 10.09, "admet": 3.25, "novelty": 3.08, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.056, "fraction": 0.253}, "binding": {"pIC50": 6.55, "LE": 0.408, "potency_term": 0.516, "efficiency_cap": 1.0}, "selectivity": {"fold": 90.1, "selectivity_term": 0.977, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.532, "herg": 0.189, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.056026002613704, "aff_pf": -0.5476450324058533, "aff_hs": 1.4073031346003215, "repeats_pf": {"runs": 3, "values": [-0.4908, -0.5515, -0.6006], "mean": -0.5476, "spread": 0.1098}, "repeats_hs": {"runs": 3, "values": [1.4678, 1.3273, 1.4268], "mean": 1.4073, "spread": 0.1405}, "at": 1787028246}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025267, "scored_at": 1787028246, "alerts": [], "rank": 3469}, {"candidate_id": "ODC-6FBFE9", "res_at": 1789108264, "skeleton": "NKWDRAMWQVJMGE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.401, "axes": {"activity": 10.03, "binding": 11.85, "selectivity": 5.83, "admet": 3.28, "novelty": 2.91, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.202, "fraction": 0.334}, "binding": {"pIC50": 6.78, "LE": 0.371, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.492, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.201509802473465, "aff_pf": -0.7767836848894755, "aff_hs": 0.20814507702986398, "repeats_pf": {"runs": 3, "values": [-0.7834, -0.7205, -0.8265], "mean": -0.7768, "spread": 0.106}, "repeats_hs": {"runs": 3, "values": [0.1828, 0.137, 0.3046], "mean": 0.2081, "spread": 0.1676}, "at": 1789108264}, "tier": 1, "alerts": [], "total_sd": 0.599, "total_ci95": [35.243, 37.442], "relegate_reason": [], "submitted_at": 1789093850, "scored_at": 1789108264, "rank": 3470}, {"candidate_id": "ODC-D2BF09", "res_at": 1787041127, "skeleton": "HJJQNKRTFKMRRO", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 36.395, "axes": {"activity": 13.74, "binding": 11.19, "selectivity": 3.69, "admet": 2.83, "novelty": 2.75, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.425, "fraction": 0.458}, "binding": {"pIC50": 6.68, "LE": 0.352, "potency_term": 0.559, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.405, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.572, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.424655942345212, "aff_pf": -0.6782715320587158, "aff_hs": -0.018611292044321697, "repeats_pf": {"runs": 3, "values": [-0.7398, -0.751, -0.544], "mean": -0.6783, "spread": 0.207}, "repeats_hs": {"runs": 3, "values": [-0.0216, -0.0221, -0.0121], "mean": -0.0186, "spread": 0.01}, "at": 1787041127}, "tier": 1, "relegate_reason": [], "submitted_at": 1787038283, "scored_at": 1787041127, "alerts": [], "rank": 3471}, {"candidate_id": "ODC-C72D7C", "res_at": 1788600549, "skeleton": "GGVOIXDJLBTXSB", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 36.39, "axes": {"activity": 13.06, "binding": 11.64, "selectivity": 4.39, "admet": 3.58, "novelty": 1.88, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.435}, "binding": {"pIC50": 6.8, "LE": 0.291, "potency_term": 0.6, "efficiency_cap": 0.97}, "selectivity": {"fold": 5.4, "selectivity_term": 0.366, "target_engagement": 0.6}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.115, "ld50-zhu": 0.998, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.677, "novelty": 0.323}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "0", "pAct_q10": 5.383585457240239, "aff_pf": -0.7992344895998637, "aff_hs": -0.06692189474900563, "repeats_pf": {"runs": 3, "values": [-0.8276, -0.768, -0.8021], "mean": -0.7992, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [-0.0004, -0.1339, -0.0665], "mean": -0.0669, "spread": 0.1335}, "at": 1788600549}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [35.745, 37.148], "relegate_reason": [], "submitted_at": 1788571027, "scored_at": 1788600549, "rank": 3472}, {"candidate_id": "ODC-D56251", "res_at": 1787667700, "skeleton": "LJFZKGWAQOWRJC", "hf_user": "Moonweave", "display_name": "M5AI-AZA-CAND-02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········C2)s1", "total": 36.389, "axes": {"activity": 15.24, "binding": 10.48, "selectivity": 3.21, "admet": 2.3, "novelty": 2.69, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.514, "fraction": 0.508}, "binding": {"pIC50": 6.57, "LE": 0.322, "potency_term": 0.524, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.306, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.316, "herg": 0.05, "dili": 0.276}}, "novelty": {"max_tanimoto": 0.487, "novelty": 0.513}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.514161524405154, "aff_pf": -0.5712749262650808, "aff_hs": 0.041018806397914886, "repeats_pf": {"runs": 3, "values": [-0.5431, -0.4679, -0.7028], "mean": -0.5713, "spread": 0.2349}, "repeats_hs": {"runs": 3, "values": [-0.0417, -0.0263, 0.1911], "mean": 0.041, "spread": 0.2328}, "at": 1787667700}, "tier": 1, "relegate_reason": [], "submitted_at": 1787667319, "scored_at": 1787667700, "alerts": [], "rank": 3473}, {"candidate_id": "ODC-301A01", "res_at": 1788157754, "skeleton": "BFMJBMMLOISITJ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 36.381, "axes": {"activity": 14.51, "binding": 11.88, "selectivity": 2.62, "admet": 3.51, "novelty": 1.92, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 6.78, "LE": 0.31, "potency_term": 0.594, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.594}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.483, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.804, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.677, "novelty": 0.323}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "0", "pAct_q10": 5.470668505989856, "aff_pf": -0.7819691697756449, "aff_hs": -0.34107015530268353, "repeats_pf": {"runs": 3, "values": [-0.7345, -0.8704, -0.7411], "mean": -0.782, "spread": 0.1359}, "repeats_hs": {"runs": 3, "values": [-0.4235, -0.2669, -0.3328], "mean": -0.3411, "spread": 0.1566}, "at": 1788157754}, "tier": 1, "alerts": [], "total_sd": 0.656, "total_ci95": [35.301, 37.83], "relegate_reason": [], "submitted_at": 1788145120, "scored_at": 1788157754, "rank": 3474}, {"candidate_id": "ODC-C9DC61", "res_at": 1786953374, "skeleton": "INLLSYLWTRSQFR", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-12", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.371, "axes": {"activity": 8.43, "binding": 11.78, "selectivity": 5.26, "admet": 4.78, "novelty": 3.38, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 6.77, "LE": 0.386, "potency_term": 0.589, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.674, "ld50-zhu": 0.55, "herg": 0.341, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.105752248042319, "aff_pf": -0.7670562267303467, "aff_hs": 0.12566997607549033, "repeats_pf": {"runs": 3, "values": [-0.7649, -0.7666, -0.7697], "mean": -0.7671, "spread": 0.0047}, "repeats_hs": {"runs": 3, "values": [0.2032, 0.1158, 0.0581], "mean": 0.1257, "spread": 0.1451}, "at": 1786953374}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949079, "scored_at": 1786953374, "alerts": [], "rank": 3475}, {"candidate_id": "ODC-118BA4", "res_at": 1786977275, "skeleton": "SSRDUBHKKMAYHD", "hf_user": "takutoyo", "display_name": "PfD3-14", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 36.366, "axes": {"activity": 13.74, "binding": 11.86, "selectivity": 3.6, "admet": 3.77, "novelty": 1.4, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 6.78, "LE": 0.32, "potency_term": 0.593, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.658, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.846, "ld50-zhu": 0.711, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.764, "novelty": 0.236}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "2", "pAct_q10": 5.424467697282804, "aff_pf": -0.7786063353220621, "aff_hs": -0.17069141815106073, "repeats_pf": {"runs": 3, "values": [-0.8243, -0.7742, -0.7373], "mean": -0.7786, "spread": 0.087}, "repeats_hs": {"runs": 3, "values": [-0.1823, -0.2072, -0.1226], "mean": -0.1707, "spread": 0.0846}, "at": 1786977275}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975822, "scored_at": 1786977275, "alerts": [], "rank": 3476}, {"candidate_id": "ODC-443E05", "res_at": 1786976251, "skeleton": "AXLFAHUWTNFOJZ", "hf_user": "takutoyo", "display_name": "PfD3-05", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 36.366, "axes": {"activity": 17.28, "binding": 6.16, "selectivity": 3.91, "admet": 3.31, "novelty": 3.33, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 6.04, "LE": 0.267, "potency_term": 0.346, "efficiency_cap": 0.889}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.346}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.101, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.851, "ld50-zhu": 0.751, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.63669832957146, "aff_pf": -0.03798660139242808, "aff_hs": 1.0906797250111897, "repeats_pf": {"runs": 3, "values": [-0.0337, -0.0209, -0.0594], "mean": -0.038, "spread": 0.0385}, "repeats_hs": {"runs": 3, "values": [1.0378, 1.1146, 1.1196], "mean": 1.0907, "spread": 0.0819}, "at": 1786976251}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975686, "scored_at": 1786976251, "alerts": [], "rank": 3477}, {"candidate_id": "ODC-F65891", "res_at": 1788223913, "skeleton": "HTVZZHSFVRVLGK", "hf_user": "Bio-JS", "display_name": "0901-S1 파라 SO2Me x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.357, "axes": {"activity": 17.24, "binding": 7.74, "selectivity": 2.99, "admet": 2.2, "novelty": 3.6, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.634, "fraction": 0.575}, "binding": {"pIC50": 6.36, "LE": 0.256, "potency_term": 0.453, "efficiency_cap": 0.854}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.336, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.634348732153102, "aff_pf": -0.35924797256787616, "aff_hs": 0.3017684866984685, "repeats_pf": {"runs": 3, "values": [-0.3334, -0.3859, -0.3584], "mean": -0.3592, "spread": 0.0525}, "repeats_hs": {"runs": 3, "values": [0.3619, 0.3679, 0.1755], "mean": 0.3018, "spread": 0.1924}, "at": 1788223913}, "tier": 1, "alerts": [], "total_sd": 0.29, "total_ci95": [35.785, 36.882], "relegate_reason": [], "submitted_at": 1788222308, "scored_at": 1788223913, "rank": 3478}, {"candidate_id": "ODC-F372B6", "res_at": 1787504677, "skeleton": "LJUVYGWKCQETMI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.344, "axes": {"activity": 16.87, "binding": 7.83, "selectivity": 2.84, "admet": 2.7, "novelty": 3.52, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.612, "fraction": 0.562}, "binding": {"pIC50": 6.34, "LE": 0.263, "potency_term": 0.446, "efficiency_cap": 0.877}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.261, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.612045759204809, "aff_pf": -0.3387949268023173, "aff_hs": 0.29744351903597516, "repeats_pf": {"runs": 3, "values": [-0.5032, -0.0779, -0.4352], "mean": -0.3388, "spread": 0.4253}, "repeats_hs": {"runs": 3, "values": [0.3617, 0.2915, 0.2391], "mean": 0.2974, "spread": 0.1227}, "at": 1787504677}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497890, "scored_at": 1787504677, "alerts": [], "rank": 3479}, {"candidate_id": "ODC-BF656E", "res_at": 1789910556, "skeleton": "SEGSYMAKHJZUQG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 36.328, "axes": {"activity": 10.92, "binding": 9.84, "selectivity": 7.56, "admet": 3.74, "novelty": 2.09, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.255, "fraction": 0.364}, "binding": {"pIC50": 6.48, "LE": 0.386, "potency_term": 0.492, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.4, "selectivity_term": 0.768, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.506, "cyp3a4-substrate-carbonmangels": 0.711, "ld50-zhu": 0.184, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 5.255443489207621, "aff_pf": -0.47628188133239746, "aff_hs": 1.060337980588277, "repeats_pf": {"runs": 3, "values": [-0.4682, -0.4736, -0.4871], "mean": -0.4763, "spread": 0.0189}, "repeats_hs": {"runs": 3, "values": [1.0335, 1.0612, 1.0863], "mean": 1.0603, "spread": 0.0527}, "at": 1789910556}, "tier": 1, "alerts": [], "total_sd": 0.121, "total_ci95": [36.103, 36.596], "relegate_reason": [], "submitted_at": 1789829712, "scored_at": 1789910556, "rank": 3480}, {"candidate_id": "ODC-7A7271", "res_at": 1788262452, "skeleton": "DQWLBVCJUZSXHW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1CC1O··········2)cc1", "total": 36.315, "axes": {"activity": 16.72, "binding": 8.05, "selectivity": 3.16, "admet": 2.75, "novelty": 3.4, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.5, "LE": 0.241, "potency_term": 0.502, "efficiency_cap": 0.803}, "selectivity": {"fold": 4.3, "selectivity_term": 0.315, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.572, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.65, "ld50-zhu": 0.639, "herg": 0.05, "dili": 0.451}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.603239388750091, "aff_pf": -0.5046875774860382, "aff_hs": 0.1256271849075953, "repeats_pf": {"runs": 3, "values": [-0.4784, -0.5472, -0.4884], "mean": -0.5047, "spread": 0.0688}, "repeats_hs": {"runs": 3, "values": [-0.1756, 0.0951, 0.4574], "mean": 0.1256, "spread": 0.633}, "at": 1788262452}, "tier": 1, "alerts": [], "total_sd": 0.817, "total_ci95": [34.918, 38.271], "relegate_reason": [], "submitted_at": 1788231027, "scored_at": 1788262452, "rank": 3481}, {"candidate_id": "ODC-8FB9DC", "res_at": 1789537676, "skeleton": "HDHJAJFABQYILR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 36.311, "axes": {"activity": 14.36, "binding": 9.92, "selectivity": 4.54, "admet": 2.77, "novelty": 2.4, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 6.49, "LE": 0.37, "potency_term": 0.496, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.458, "target_engagement": 0.496}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.54, "herg": 0.076, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.461668582189443, "aff_pf": -0.4877483646074931, "aff_hs": 0.42740412553151447, "repeats_pf": {"runs": 3, "values": [-0.417, -0.5091, -0.5372], "mean": -0.4877, "spread": 0.1202}, "repeats_hs": {"runs": 3, "values": [0.4964, 0.3387, 0.4471], "mean": 0.4274, "spread": 0.1576}, "at": 1789537676}, "tier": 1, "alerts": [], "total_sd": 0.613, "total_ci95": [35.107, 37.374], "relegate_reason": [], "submitted_at": 1789525136, "scored_at": 1789537676, "rank": 3482}, {"candidate_id": "ODC-CABA18", "res_at": 1787728429, "skeleton": "LKLGGKZDTHRECE", "hf_user": "Moonweave", "display_name": "M5AI-P12-OM-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 36.28, "axes": {"activity": 14.51, "binding": 11.22, "selectivity": 2.51, "admet": 1.93, "novelty": 3.61, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 6.7, "LE": 0.296, "potency_term": 0.568, "efficiency_cap": 0.988}, "selectivity": {"fold": 2.8, "selectivity_term": 0.221, "target_engagement": 0.568}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.470739048465399, "aff_pf": -0.7047338287035624, "aff_hs": -0.26363802949587506, "repeats_pf": {"runs": 3, "values": [-0.7194, -0.7498, -0.6449], "mean": -0.7047, "spread": 0.1049}, "repeats_hs": {"runs": 3, "values": [-0.2561, -0.3078, -0.227], "mean": -0.2636, "spread": 0.0808}, "at": 1787728429}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726077, "scored_at": 1787728429, "alerts": [], "rank": 3483}, {"candidate_id": "ODC-3DCF27", "res_at": 1786951073, "skeleton": "KQIURUDNCMGMPN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8 + RDKit", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.272, "axes": {"activity": 11.66, "binding": 12.12, "selectivity": 3.55, "admet": 3.51, "novelty": 2.63, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 6.82, "LE": 0.374, "potency_term": 0.606, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.293, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.567, "novelty": 0.433}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 5.299806737107393, "aff_pf": -0.8174954851468405, "aff_hs": -0.2311843385299047, "repeats_pf": {"runs": 3, "values": [-0.8439, -0.8771, -0.7315], "mean": -0.8175, "spread": 0.1455}, "repeats_hs": {"runs": 3, "values": [-0.3326, -0.2926, -0.0683], "mean": -0.2312, "spread": 0.2643}, "at": 1786951073}, "tier": 1, "relegate_reason": [], "submitted_at": 1786945956, "scored_at": 1786951073, "alerts": [], "rank": 3484}, {"candidate_id": "ODC-7EEE7E", "res_at": 1786855315, "skeleton": "JAOVRNLUZUTYKV", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.265, "axes": {"activity": 6.76, "binding": 12.95, "selectivity": 6.63, "admet": 4.12, "novelty": 2.93, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.005, "fraction": 0.225}, "binding": {"pIC50": 6.94, "LE": 0.38, "potency_term": 0.647, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.512, "target_engagement": 0.647}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.281, "ld50-zhu": 0.665, "herg": 0.278, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.005463188453524, "aff_pf": -0.9418338537216187, "aff_hs": 0.08315796901782353, "repeats_pf": {"runs": 3, "values": [-0.8988, -0.9745, -0.9522], "mean": -0.9418, "spread": 0.0757}, "repeats_hs": {"runs": 3, "values": [0.0953, 0.0548, 0.0994], "mean": 0.0832, "spread": 0.0445}, "at": 1786855315}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847769, "scored_at": 1786855315, "alerts": [], "rank": 3485}, {"candidate_id": "ODC-295B57", "res_at": 1787243444, "skeleton": "VXQWUFIJQIALBL", "hf_user": "Ku-ku", "display_name": "N11_imidazopyridazine", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 36.262, "axes": {"activity": 7.49, "binding": 11.8, "selectivity": 7.95, "admet": 3.54, "novelty": 2.83, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.05, "fraction": 0.25}, "binding": {"pIC50": 6.77, "LE": 0.422, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.2, "selectivity_term": 0.674, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.339, "ld50-zhu": 0.371, "herg": 0.667, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.52, "novelty": 0.48}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.049540065205668, "aff_pf": -0.770460844039917, "aff_hs": 0.5767413775126139, "repeats_pf": {"runs": 3, "values": [-0.7565, -0.8105, -0.7444], "mean": -0.7705, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [0.5477, 0.6569, 0.5257], "mean": 0.5767, "spread": 0.1312}, "at": 1787243444}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238163, "scored_at": 1787243444, "alerts": [], "rank": 3486}, {"candidate_id": "ODC-5EF2C1", "res_at": 1788335335, "skeleton": "HZLJJRIXIRLYGO", "hf_user": "Bio-JS", "display_name": "0902C-S1-03", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 36.256, "axes": {"activity": 16.44, "binding": 7.69, "selectivity": 3.52, "admet": 2.49, "novelty": 3.96, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 6.42, "LE": 0.244, "potency_term": 0.472, "efficiency_cap": 0.814}, "selectivity": {"fold": 5.6, "selectivity_term": 0.372, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.409, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.167, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.407, "herg": 0.05, "dili": 0.186}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.58632339643191, "aff_pf": -0.4171764974792798, "aff_hs": 0.32739729682604474, "repeats_pf": {"runs": 3, "values": [-0.1106, -0.5985, -0.5425], "mean": -0.4172, "spread": 0.4879}, "repeats_hs": {"runs": 3, "values": [0.4171, 0.2604, 0.3046], "mean": 0.3274, "spread": 0.1567}, "at": 1788335335}, "tier": 1, "alerts": [], "total_sd": 1.705, "total_ci95": [32.463, 38.891], "relegate_reason": [], "submitted_at": 1788327476, "scored_at": 1788335335, "rank": 3487}, {"candidate_id": "ODC-228AC1", "res_at": 1787186744, "skeleton": "QJLHGPWKELZMOF", "hf_user": "Ku-ku", "display_name": "Z4_pyrazolopyrimidine", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)c2n1", "total": 36.239, "axes": {"activity": 16.45, "binding": 9.4, "selectivity": 1.5, "admet": 3.07, "novelty": 3.71, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.548}, "binding": {"pIC50": 6.41, "LE": 0.325, "potency_term": 0.47, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.159, "target_engagement": 0.47}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.079, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.883, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.558, "ld50-zhu": 0.563, "herg": 0.19, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.5871337532157614, "aff_pf": -0.4095306992530823, "aff_hs": -0.0911678746342659, "repeats_pf": {"runs": 3, "values": [-0.5704, -0.3642, -0.294], "mean": -0.4095, "spread": 0.2764}, "repeats_hs": {"runs": 3, "values": [-0.1274, 0.0482, -0.1943], "mean": -0.0912, "spread": 0.2425}, "at": 1787186744}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184092, "scored_at": 1787186744, "alerts": [], "rank": 3488}, {"candidate_id": "ODC-F30381", "res_at": 1789910144, "skeleton": "CPMDGGPHVSBQOY", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.224, "axes": {"activity": 14.98, "binding": 9.22, "selectivity": 4.92, "admet": 3.22, "novelty": 2.05, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.499}, "binding": {"pIC50": 6.38, "LE": 0.324, "potency_term": 0.461, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.6, "selectivity_term": 0.533, "target_engagement": 0.461}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.35, "cyp3a4-substrate-carbonmangels": 0.245, "ld50-zhu": 0.403, "herg": 0.074, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.59, "novelty": 0.41}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "2", "pAct_q10": 5.498769088166079, "aff_pf": -0.38343079884847003, "aff_hs": 0.6828435659408569, "repeats_pf": {"runs": 3, "values": [-0.308, -0.4188, -0.4235], "mean": -0.3834, "spread": 0.1155}, "repeats_hs": {"runs": 3, "values": [0.3991, 0.8651, 0.7843], "mean": 0.6828, "spread": 0.466}, "at": 1789910144}, "tier": 1, "alerts": [], "total_sd": 0.702, "total_ci95": [34.962, 37.536], "relegate_reason": [], "submitted_at": 1789829701, "scored_at": 1789910144, "rank": 3489}, {"candidate_id": "ODC-B20222", "res_at": 1787097431, "skeleton": "WAGCVFJEPSJRBH", "hf_user": "Ku-ku", "display_name": "A17_2oxet", "model_name": "triazolo-2pos-bulk", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.221, "axes": {"activity": 14.64, "binding": 9.58, "selectivity": 4.72, "admet": 2.82, "novelty": 2.28, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 6.44, "LE": 0.339, "potency_term": 0.479, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.513, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.478242088927113, "aff_pf": -0.4374190966288249, "aff_hs": 0.5479147434234619, "repeats_pf": {"runs": 3, "values": [-0.5003, -0.3923, -0.4196], "mean": -0.4374, "spread": 0.1079}, "repeats_hs": {"runs": 3, "values": [0.5299, 0.515, 0.5988], "mean": 0.5479, "spread": 0.0838}, "at": 1787097431}, "tier": 1, "relegate_reason": [], "submitted_at": 1787096683, "scored_at": 1787097431, "alerts": [], "rank": 3490}, {"candidate_id": "ODC-6134C6", "res_at": 1788310222, "skeleton": "WYCQSKDVYUGFIX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 36.207, "axes": {"activity": 19.75, "binding": 6.25, "selectivity": 0.23, "admet": 2.75, "novelty": 4.2, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 5.785, "fraction": 0.658}, "binding": {"pIC50": 6.3, "LE": 0.216, "potency_term": 0.434, "efficiency_cap": 0.72}, "selectivity": {"fold": 1.1, "selectivity_term": 0.026, "target_engagement": 0.434}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 0.847, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.958, "ld50-zhu": 0.675, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.363, "novelty": 0.637}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.78494283974498, "aff_pf": -0.30278175075848895, "aff_hs": -0.25036461154619855, "repeats_pf": {"runs": 3, "values": [-0.3498, -0.2502, -0.3083], "mean": -0.3028, "spread": 0.0996}, "repeats_hs": {"runs": 3, "values": [-0.1951, -0.2843, -0.2717], "mean": -0.2504, "spread": 0.0891}, "at": 1788310222}, "tier": 1, "alerts": [], "total_sd": 0.26, "total_ci95": [35.677, 36.686], "relegate_reason": [], "submitted_at": 1788276910, "scored_at": 1788310222, "rank": 3491}, {"candidate_id": "ODC-DFB5AC", "res_at": 1786985801, "skeleton": "KFCOMEXGYMFLJI", "hf_user": "1Dmeds", "display_name": "ODC26-R7D-02", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.199, "axes": {"activity": 8.99, "binding": 12.6, "selectivity": 4.74, "admet": 3.78, "novelty": 3.52, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.14, "fraction": 0.3}, "binding": {"pIC50": 6.89, "LE": 0.41, "potency_term": 0.63, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.376, "target_engagement": 0.63}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.991, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.252, "ld50-zhu": 0.436, "herg": 0.19, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.139620613599636, "aff_pf": -0.8897599379221598, "aff_hs": -0.13710392514864603, "repeats_pf": {"runs": 3, "values": [-0.9596, -0.858, -0.8517], "mean": -0.8898, "spread": 0.1079}, "repeats_hs": {"runs": 3, "values": [-0.0395, -0.3022, -0.0696], "mean": -0.1371, "spread": 0.2628}, "at": 1786985801}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980966, "scored_at": 1786985801, "alerts": [], "rank": 3492}, {"candidate_id": "ODC-D1BFD3", "res_at": 1787348154, "skeleton": "HYOJQWPKLJAJBG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 36.179, "axes": {"activity": 17.1, "binding": 8.45, "selectivity": 1.73, "admet": 2.95, "novelty": 3.95, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 6.46, "LE": 0.26, "potency_term": 0.487, "efficiency_cap": 0.868}, "selectivity": {"fold": 2.3, "selectivity_term": 0.178, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.736, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.299}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.625913236758278, "aff_pf": -0.4602576692899068, "aff_hs": -0.1040659248828888, "repeats_pf": {"runs": 3, "values": [-0.5, -0.5084, -0.3723], "mean": -0.4603, "spread": 0.1361}, "repeats_hs": {"runs": 3, "values": [0.1273, 0.029, -0.4686], "mean": -0.1041, "spread": 0.5959}, "at": 1787348154}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347593, "scored_at": 1787348154, "alerts": [], "rank": 3493}, {"candidate_id": "ODC-BF3F8D", "res_at": 1787917391, "skeleton": "MMBKPUCZLWOVPZ", "hf_user": "Bio-JS", "display_name": "K1 코어2-CN x 옥세탄 (전자끌기, 최소 부피)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 36.175, "axes": {"activity": 18.75, "binding": 8.17, "selectivity": 0.0, "admet": 2.59, "novelty": 4.12, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.725, "fraction": 0.625}, "binding": {"pIC50": 6.52, "LE": 0.241, "potency_term": 0.507, "efficiency_cap": 0.805}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.507}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.575, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.724784671910515, "aff_pf": -0.5218063195546468, "aff_hs": -0.7419195572535197, "repeats_pf": {"runs": 3, "values": [-0.611, -0.5584, -0.3961], "mean": -0.5218, "spread": 0.2149}, "repeats_hs": {"runs": 3, "values": [-0.75, -0.7218, -0.754], "mean": -0.7419, "spread": 0.0321}, "at": 1787917391}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898867, "scored_at": 1787917391, "alerts": [], "rank": 3494}, {"candidate_id": "ODC-5958F2", "res_at": 1789052168, "skeleton": "WYFDHMORCQKZNX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········)n2n1", "total": 36.161, "axes": {"activity": 16.32, "binding": 9.6, "selectivity": 1.75, "admet": 3.55, "novelty": 2.53, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.579, "fraction": 0.544}, "binding": {"pIC50": 6.44, "LE": 0.353, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.225, "cyp2c9-veith": 0.541, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.711, "herg": 0.314, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.578967286004421, "aff_pf": -0.4392688473065694, "aff_hs": -0.07347146421670914, "repeats_pf": {"runs": 3, "values": [-0.3731, -0.5738, -0.3709], "mean": -0.4393, "spread": 0.2028}, "repeats_hs": {"runs": 3, "values": [-0.0649, -0.0958, -0.0597], "mean": -0.0735, "spread": 0.0361}, "at": 1789052168}, "tier": 1, "alerts": [], "total_sd": 0.736, "total_ci95": [35.263, 37.937], "relegate_reason": [], "submitted_at": 1789040914, "scored_at": 1789052168, "rank": 3495}, {"candidate_id": "ODC-81D1C4", "res_at": 1789406808, "skeleton": "SOASWYUAOXIXES", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 36.129, "axes": {"activity": 10.8, "binding": 11.97, "selectivity": 5.35, "admet": 3.97, "novelty": 2.13, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 6.8, "LE": 0.31, "potency_term": 0.599, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.599}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.777, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.947, "ld50-zhu": 0.769, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.644, "novelty": 0.356}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "0", "pAct_q10": 5.248234905461505, "aff_pf": -0.7956169446309408, "aff_hs": 0.09807243446509044, "repeats_pf": {"runs": 3, "values": [-0.7789, -0.8225, -0.7854], "mean": -0.7956, "spread": 0.0436}, "repeats_hs": {"runs": 3, "values": [0.0409, 0.2335, 0.0198], "mean": 0.0981, "spread": 0.2136}, "at": 1789406808}, "tier": 1, "alerts": [], "total_sd": 0.395, "total_ci95": [35.414, 36.809], "relegate_reason": [], "submitted_at": 1789403683, "scored_at": 1789406808, "rank": 3496}, {"candidate_id": "ODC-6E641D", "res_at": 1786971361, "skeleton": "XMNXIRZDZVWNLR", "hf_user": "ghost613", "display_name": "MAL-11 6-OCF3-pyridinyl triazolopyrimidine", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.117, "axes": {"activity": 14.58, "binding": 11.09, "selectivity": 1.62, "admet": 4.06, "novelty": 2.35, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 6.66, "LE": 0.351, "potency_term": 0.554, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.146, "target_engagement": 0.554}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.313, "ld50-zhu": 0.429, "herg": 0.107, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.474780693207184, "aff_pf": -0.6634259223937988, "aff_hs": -0.37052205204963684, "repeats_pf": {"runs": 3, "values": [-0.6409, -0.6787, -0.6706], "mean": -0.6634, "spread": 0.0378}, "repeats_hs": {"runs": 3, "values": [-0.3319, -0.4078, -0.372], "mean": -0.3705, "spread": 0.0759}, "at": 1786971361}, "tier": 1, "relegate_reason": [], "submitted_at": 1786971184, "scored_at": 1786971361, "alerts": [], "rank": 3497}, {"candidate_id": "ODC-721E51", "res_at": 1786892832, "skeleton": "ORTMNXVLLCIMQT", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 36.112, "axes": {"activity": 11.91, "binding": 11.1, "selectivity": 5.18, "admet": 3.57, "novelty": 1.7, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.67, "LE": 0.38, "potency_term": 0.555, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.467, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.539, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.3148286820338155, "aff_pf": -0.6651531457901001, "aff_hs": 0.2681528627872467, "repeats_pf": {"runs": 3, "values": [-0.6894, -0.5587, -0.7474], "mean": -0.6652, "spread": 0.1887}, "repeats_hs": {"runs": 3, "values": [0.3674, 0.3303, 0.1067], "mean": 0.2682, "spread": 0.2607}, "at": 1786892832}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878958, "scored_at": 1786892832, "alerts": [], "rank": 3498}, {"candidate_id": "ODC-FD0F3C", "res_at": 1787101272, "skeleton": "IVINCGTYCYFSOM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNc1··········2)cc1", "total": 36.11, "axes": {"activity": 17.05, "binding": 8.61, "selectivity": 2.71, "admet": 1.86, "novelty": 3.17, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 6.62, "LE": 0.239, "potency_term": 0.541, "efficiency_cap": 0.796}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.541}, "admet": {"geometric_mean": 0.218, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.623040751669179, "aff_pf": -0.62200927734375, "aff_hs": -0.12112496296564738, "repeats_pf": {"runs": 3, "values": [-0.5769, -0.6588, -0.6304], "mean": -0.622, "spread": 0.0819}, "repeats_hs": {"runs": 3, "values": [-0.2907, 0.2731, -0.3457], "mean": -0.1211, "spread": 0.6188}, "at": 1787101272}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101056, "scored_at": 1787101272, "alerts": [], "rank": 3499}, {"candidate_id": "ODC-178EFA", "res_at": 1789430200, "skeleton": "IWGIUWLWZHADQF", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 36.11, "axes": {"activity": 9.8, "binding": 11.83, "selectivity": 6.03, "admet": 3.84, "novelty": 2.72, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.327}, "binding": {"pIC50": 6.77, "LE": 0.309, "potency_term": 0.591, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.5, "selectivity_term": 0.51, "target_engagement": 0.591}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.903, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.884, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "0", "pAct_q10": 5.187907794735953, "aff_pf": -0.7741672992706299, "aff_hs": 0.24543925126393637, "repeats_pf": {"runs": 3, "values": [-0.7389, -0.8131, -0.7705], "mean": -0.7742, "spread": 0.0742}, "repeats_hs": {"runs": 3, "values": [0.1898, 0.266, 0.2805], "mean": 0.2454, "spread": 0.0907}, "at": 1789430200}, "tier": 1, "alerts": [], "total_sd": 0.387, "total_ci95": [35.382, 36.893], "relegate_reason": [], "submitted_at": 1789429663, "scored_at": 1789430200, "rank": 3500}, {"candidate_id": "ODC-69BB40", "res_at": 1787265120, "skeleton": "QXSLBFWQWTULIN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.109, "axes": {"activity": 16.17, "binding": 6.1, "selectivity": 5.3, "admet": 2.6, "novelty": 3.69, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 6.2, "LE": 0.229, "potency_term": 0.399, "efficiency_cap": 0.765}, "selectivity": {"fold": 21.4, "selectivity_term": 0.665, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.583, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.569981114305279, "aff_pf": -0.19587475558122, "aff_hs": 1.134737769762675, "repeats_pf": {"runs": 3, "values": [-0.1782, -0.2157, -0.1937], "mean": -0.1959, "spread": 0.0375}, "repeats_hs": {"runs": 3, "values": [1.1258, 1.1739, 1.1045], "mean": 1.1347, "spread": 0.0694}, "at": 1787265120}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264730, "scored_at": 1787265120, "alerts": [], "rank": 3501}, {"candidate_id": "ODC-BAEA29", "res_at": 1789523209, "skeleton": "WCXYMUFDKUBNEE", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 36.102, "axes": {"activity": 11.78, "binding": 11.8, "selectivity": 3.41, "admet": 3.78, "novelty": 3.57, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 6.82, "LE": 0.292, "potency_term": 0.606, "efficiency_cap": 0.973}, "selectivity": {"fold": 3.6, "selectivity_term": 0.281, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.634, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.84, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "0", "pAct_q10": 5.306856384689503, "aff_pf": -0.8194888830184937, "aff_hs": -0.2578247934579849, "repeats_pf": {"runs": 3, "values": [-0.8079, -0.8175, -0.8331], "mean": -0.8195, "spread": 0.0252}, "repeats_hs": {"runs": 3, "values": [-0.1837, -0.3222, -0.2675], "mean": -0.2578, "spread": 0.1385}, "at": 1789523209}, "tier": 1, "alerts": [], "total_sd": 0.228, "total_ci95": [35.674, 36.52], "relegate_reason": [], "submitted_at": 1789522271, "scored_at": 1789523209, "rank": 3502}, {"candidate_id": "ODC-E35453", "res_at": 1787426358, "skeleton": "NWTSFWSFJGBKPH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········2)CC1", "total": 36.082, "axes": {"activity": 20.48, "binding": 3.61, "selectivity": 1.69, "admet": 2.59, "novelty": 4.55, "synthesis": 3.16}, "detail": {"activity": {"pAct_q10": 5.829, "fraction": 0.683}, "binding": {"pIC50": 5.74, "LE": 0.219, "potency_term": 0.248, "efficiency_cap": 0.729}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.248}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.399, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.828906148322039, "aff_pf": 0.25606684883435565, "aff_hs": 0.9362703164418539, "repeats_pf": {"runs": 3, "values": [-0.0244, 0.3941, 0.3985], "mean": 0.2561, "spread": 0.4228}, "repeats_hs": {"runs": 3, "values": [1.0135, 0.7704, 1.0249], "mean": 0.9363, "spread": 0.2546}, "at": 1787426358}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424435, "scored_at": 1787426358, "alerts": [], "rank": 3503}, {"candidate_id": "ODC-01F4F2", "res_at": 1787952069, "skeleton": "BHFUEZPTVOFIHH", "hf_user": "Bio-JS", "display_name": "A5 [음의 대조] 코어 2번 자리를 비움", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 36.081, "axes": {"activity": 7.46, "binding": 12.09, "selectivity": 5.13, "admet": 4.64, "novelty": 4.15, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.047, "fraction": 0.249}, "binding": {"pIC50": 6.81, "LE": 0.406, "potency_term": 0.605, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.1, "selectivity_term": 0.424, "target_engagement": 0.605}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.792, "cyp2c9-veith": 0.85, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.493, "herg": 0.05, "dili": 0.904}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.047452114948672, "aff_pf": -0.8137275377909342, "aff_hs": 0.03451129049062729, "repeats_pf": {"runs": 3, "values": [-0.7991, -0.799, -0.8431], "mean": -0.8137, "spread": 0.0441}, "repeats_hs": {"runs": 3, "values": [0.0196, 0.1062, -0.0223], "mean": 0.0345, "spread": 0.1285}, "at": 1787952069}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945078, "scored_at": 1787952069, "alerts": [], "rank": 3504}, {"candidate_id": "ODC-53D672", "res_at": 1789018108, "skeleton": "VZTSHSUWSNXSRG", "hf_user": "Ku-ku", "display_name": "KK-M-0910-807", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 36.081, "axes": {"activity": 14.93, "binding": 10.28, "selectivity": 1.43, "admet": 4.08, "novelty": 3.59, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 6.54, "LE": 0.332, "potency_term": 0.514, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.514}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.397, "ld50-zhu": 0.576, "herg": 0.073, "dili": 0.352}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "0", "pAct_q10": 5.495501282821305, "aff_pf": -0.5422170460224152, "aff_hs": -0.26366637150446576, "repeats_pf": {"runs": 3, "values": [-0.4742, -0.5988, -0.5537], "mean": -0.5422, "spread": 0.1246}, "repeats_hs": {"runs": 3, "values": [-0.2658, -0.1998, -0.3254], "mean": -0.2637, "spread": 0.1257}, "at": 1789018108}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.572, "total_ci95": [35.095, 37.159], "relegate_reason": [], "submitted_at": 1789015919, "scored_at": 1789018108, "rank": 3505}, {"candidate_id": "ODC-BC45C6", "res_at": 1787898426, "skeleton": "DSLOGMSXDKKJQK", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-FRESH-02]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········3)cc1", "total": 36.079, "axes": {"activity": 18.52, "binding": 5.75, "selectivity": 0.64, "admet": 4.88, "novelty": 3.5, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.711, "fraction": 0.617}, "binding": {"pIC50": 5.86, "LE": 0.309, "potency_term": 0.287, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.112, "target_engagement": 0.287}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.511, "cyp3a4-substrate-carbonmangels": 0.637, "ld50-zhu": 0.735, "herg": 0.242, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.711426213306381, "aff_pf": 0.1377974053223928, "aff_hs": 0.36143480738004047, "repeats_pf": {"runs": 3, "values": [0.1579, 0.1414, 0.1141], "mean": 0.1378, "spread": 0.0438}, "repeats_hs": {"runs": 3, "values": [0.353, 0.3713, 0.36], "mean": 0.3614, "spread": 0.0183}, "at": 1787898426}, "tier": 1, "relegate_reason": [], "submitted_at": 1787852808, "scored_at": 1787898426, "alerts": [], "rank": 3506}, {"candidate_id": "ODC-493269", "res_at": 1786956040, "skeleton": "GRAJYCUOJREORJ", "hf_user": "tteggu", "display_name": "DuckCrab", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 36.049, "axes": {"activity": 13.18, "binding": 11.45, "selectivity": 2.9, "admet": 4.51, "novelty": 1.97, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.439}, "binding": {"pIC50": 6.72, "LE": 0.307, "potency_term": 0.572, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.254, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.94, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.716, "herg": 0.118, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.39066558601782, "aff_pf": -0.7170246044794718, "aff_hs": -0.20981762806574503, "repeats_pf": {"runs": 3, "values": [-0.7623, -0.69, -0.6988], "mean": -0.717, "spread": 0.0724}, "repeats_hs": {"runs": 3, "values": [-0.1984, -0.1705, -0.2605], "mean": -0.2098, "spread": 0.0901}, "at": 1786956040}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950995, "scored_at": 1786956040, "alerts": [], "rank": 3507}, {"candidate_id": "ODC-EF503B", "res_at": 1786929347, "skeleton": "UNVWXBUUIWABAI", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 36.046, "axes": {"activity": 7.97, "binding": 12.82, "selectivity": 5.11, "admet": 5.07, "novelty": 3.05, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.078, "fraction": 0.266}, "binding": {"pIC50": 6.92, "LE": 0.351, "potency_term": 0.641, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.641}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.207, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.871, "herg": 0.191, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 5.0783850441900364, "aff_pf": -0.9233285784721375, "aff_hs": -0.12618092447519302, "repeats_pf": {"runs": 3, "values": [-0.9585, -0.8319, -0.9796], "mean": -0.9233, "spread": 0.1478}, "repeats_hs": {"runs": 3, "values": [-0.183, -0.0158, -0.1797], "mean": -0.1262, "spread": 0.1672}, "at": 1786929347}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924386, "scored_at": 1786929347, "alerts": [], "rank": 3508}, {"candidate_id": "ODC-09BD7D", "res_at": 1787634868, "skeleton": "HFPSOTATSRCEDY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.04, "axes": {"activity": 17.75, "binding": 8.83, "selectivity": 0.0, "admet": 3.94, "novelty": 3.06, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.665, "fraction": 0.592}, "binding": {"pIC50": 6.32, "LE": 0.361, "potency_term": 0.442, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.461, "ld50-zhu": 0.654, "herg": 0.423, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 5.665203882954767, "aff_pf": -0.32478516300519306, "aff_hs": -0.8173123995463053, "repeats_pf": {"runs": 3, "values": [-0.2887, -0.343, -0.3426], "mean": -0.3248, "spread": 0.0543}, "repeats_hs": {"runs": 3, "values": [-0.8137, -0.7808, -0.8574], "mean": -0.8173, "spread": 0.0766}, "at": 1787634868}, "tier": 1, "relegate_reason": [], "submitted_at": 1787633840, "scored_at": 1787634868, "alerts": [], "rank": 3509}, {"candidate_id": "ODC-00773F", "res_at": 1786870223, "skeleton": "NGIATNPNOQXFRY", "hf_user": "ALEX32321", "display_name": "ALEXAI-ATTACK-01", "model_name": "OpenCrab-ALEXAI attack panel v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 36.019, "axes": {"activity": 11.21, "binding": 11.32, "selectivity": 4.91, "admet": 3.43, "novelty": 2.57, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.272, "fraction": 0.374}, "binding": {"pIC50": 6.7, "LE": 0.353, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.133, "cyp3a4-substrate-carbonmangels": 0.615, "ld50-zhu": 0.539, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 5.272408481122594, "aff_pf": -0.6972875396410624, "aff_hs": 0.1708084692557653, "repeats_pf": {"runs": 3, "values": [-0.6707, -0.6938, -0.7274], "mean": -0.6973, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [0.173, 0.082, 0.2574], "mean": 0.1708, "spread": 0.1755}, "at": 1786870223}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863619, "scored_at": 1786870223, "alerts": [], "rank": 3510}, {"candidate_id": "ODC-E462BB", "res_at": 1789948996, "skeleton": "QAEPRUJDZRNSEC", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········nc2n1", "total": 36.011, "axes": {"activity": 17.31, "binding": 7.46, "selectivity": 2.15, "admet": 2.98, "novelty": 3.63, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.638, "fraction": 0.577}, "binding": {"pIC50": 6.35, "LE": 0.249, "potency_term": 0.45, "efficiency_cap": 0.829}, "selectivity": {"fold": 3.0, "selectivity_term": 0.239, "target_engagement": 0.45}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.115, "cyp2c9-veith": 0.113, "cyp3a4-substrate-carbonmangels": 0.687, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.638488009280145, "aff_pf": -0.3504875103632609, "aff_hs": 0.12757350504398346, "repeats_pf": {"runs": 3, "values": [-0.321, -0.3838, -0.3467], "mean": -0.3505, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [0.2764, 0.1702, -0.0638], "mean": 0.1276, "spread": 0.3403}, "at": 1789948996}, "tier": 1, "alerts": [], "total_sd": 0.41, "total_ci95": [35.138, 36.799], "relegate_reason": [], "submitted_at": 1789837481, "scored_at": 1789948996, "rank": 3511}, {"candidate_id": "ODC-462636", "res_at": 1788135932, "skeleton": "DKKGFMHAVYZEJG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 35.991, "axes": {"activity": 17.95, "binding": 8.53, "selectivity": 0.79, "admet": 2.25, "novelty": 3.55, "synthesis": 2.92}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.598}, "binding": {"pIC50": 6.61, "LE": 0.238, "potency_term": 0.537, "efficiency_cap": 0.794}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.537}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.353, "ld50-zhu": 0.653, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 5.677133278766326, "aff_pf": -0.6098568638165792, "aff_hs": -0.4632948438326518, "repeats_pf": {"runs": 3, "values": [-0.629, -0.6028, -0.5978], "mean": -0.6099, "spread": 0.0312}, "repeats_hs": {"runs": 3, "values": [-0.4222, -0.5313, -0.4364], "mean": -0.4633, "spread": 0.1091}, "at": 1788135932}, "tier": 1, "alerts": [], "total_sd": 0.191, "total_ci95": [35.52, 36.322], "relegate_reason": [], "submitted_at": 1788132556, "scored_at": 1788135932, "rank": 3512}, {"candidate_id": "ODC-1C9984", "res_at": 1787319070, "skeleton": "XELIRTAKJLEJDT", "hf_user": "takutoyo", "display_name": "PfD12-19", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1nc··········Cl)c1", "total": 35.955, "axes": {"activity": 19.64, "binding": 6.96, "selectivity": 0.0, "admet": 2.26, "novelty": 4.75, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.778, "fraction": 0.655}, "binding": {"pIC50": 6.15, "LE": 0.272, "potency_term": 0.384, "efficiency_cap": 0.906}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.162, "ld50-zhu": 0.618, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.778418168864096, "aff_pf": -0.15262323866287866, "aff_hs": -0.7983221809069315, "repeats_pf": {"runs": 3, "values": [-0.1755, -0.2205, -0.0619], "mean": -0.1526, "spread": 0.1586}, "repeats_hs": {"runs": 3, "values": [-0.7792, -0.7488, -0.8669], "mean": -0.7983, "spread": 0.118}, "at": 1787319070}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315902, "scored_at": 1787319070, "alerts": [], "rank": 3513}, {"candidate_id": "ODC-479A95", "res_at": 1787384625, "skeleton": "PKDOHFXVFQJSMM", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········O)CC1", "total": 35.945, "axes": {"activity": 19.4, "binding": 3.76, "selectivity": 2.72, "admet": 3.03, "novelty": 4.53, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.764, "fraction": 0.647}, "binding": {"pIC50": 5.75, "LE": 0.225, "potency_term": 0.251, "efficiency_cap": 0.751}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.511, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.212, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.764274204784048, "aff_pf": 0.24795041481653848, "aff_hs": 1.3342310587565105, "repeats_pf": {"runs": 3, "values": [0.1893, 0.3781, 0.1764], "mean": 0.248, "spread": 0.2017}, "repeats_hs": {"runs": 3, "values": [1.328, 1.3809, 1.2938], "mean": 1.3342, "spread": 0.087}, "at": 1787384625}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383167, "scored_at": 1787384625, "alerts": [], "rank": 3514}, {"candidate_id": "ODC-854839", "res_at": 1788611993, "skeleton": "XTOIDTVNZWNPKX", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 35.943, "axes": {"activity": 15.02, "binding": 10.11, "selectivity": 2.48, "admet": 3.41, "novelty": 2.73, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.501, "fraction": 0.501}, "binding": {"pIC50": 6.52, "LE": 0.343, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.38, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.50122697710505, "aff_pf": -0.5162159204483032, "aff_hs": -0.02580420176188151, "repeats_pf": {"runs": 3, "values": [-0.4496, -0.5618, -0.5373], "mean": -0.5162, "spread": 0.1121}, "repeats_hs": {"runs": 3, "values": [0.1081, -0.0158, -0.1697], "mean": -0.0258, "spread": 0.2779}, "at": 1788611993}, "tier": 1, "alerts": [], "total_sd": 0.618, "total_ci95": [34.764, 37.133], "relegate_reason": [], "submitted_at": 1788583699, "scored_at": 1788611993, "rank": 3515}, {"candidate_id": "ODC-207909", "res_at": 1787697252, "skeleton": "NRBWWJSRFHQYQB", "hf_user": "Bio-JS", "display_name": "팔 사다리: 4-(옥산-4-일)페닐 (12, 모르폴린의 N→C 짝)", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 35.938, "axes": {"activity": 17.08, "binding": 7.63, "selectivity": 3.14, "admet": 1.91, "novelty": 3.74, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.625, "fraction": 0.569}, "binding": {"pIC50": 6.34, "LE": 0.256, "potency_term": 0.448, "efficiency_cap": 0.852}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.448}, "admet": {"geometric_mean": 0.224, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.274, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.518, "herg": 0.05, "dili": 0.562}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.62469615351833, "aff_pf": -0.34337878227233887, "aff_hs": 0.358918160200119, "repeats_pf": {"runs": 3, "values": [-0.2469, -0.3167, -0.4665], "mean": -0.3434, "spread": 0.2196}, "repeats_hs": {"runs": 3, "values": [0.3324, 0.3716, 0.3728], "mean": 0.3589, "spread": 0.0404}, "at": 1787697252}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696887, "scored_at": 1787697252, "alerts": [], "rank": 3516}, {"candidate_id": "ODC-FC7ABD", "res_at": 1788133890, "skeleton": "BHVZMFOAQRINRA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.929, "axes": {"activity": 12.67, "binding": 13.63, "selectivity": 0.0, "admet": 3.06, "novelty": 3.73, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.36, "fraction": 0.422}, "binding": {"pIC50": 7.04, "LE": 0.357, "potency_term": 0.682, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.682}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.913, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.853, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.360482755309081, "aff_pf": -1.0445963541666667, "aff_hs": -1.1202863057454426, "repeats_pf": {"runs": 3, "values": [-1.0833, -1.0304, -1.0201], "mean": -1.0446, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [-1.1628, -1.1641, -1.034], "mean": -1.1203, "spread": 0.1301}, "at": 1788133890}, "tier": 1, "alerts": [], "total_sd": 0.176, "total_ci95": [35.65, 36.168], "relegate_reason": [], "submitted_at": 1788132383, "scored_at": 1788133890, "rank": 3517}, {"candidate_id": "ODC-1B9247", "res_at": 1789376179, "skeleton": "PEIDKSYMRSLOOJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCCSc1··········)n2n1", "total": 35.928, "axes": {"activity": 11.7, "binding": 10.08, "selectivity": 6.0, "admet": 3.1, "novelty": 2.77, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 6.51, "LE": 0.33, "potency_term": 0.504, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.5, "selectivity_term": 0.595, "target_engagement": 0.504}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.459, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.468, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.302264931663745, "aff_pf": -0.51266015569369, "aff_hs": 0.6769497394561768, "repeats_pf": {"runs": 3, "values": [-0.5165, -0.5263, -0.4951], "mean": -0.5127, "spread": 0.0312}, "repeats_hs": {"runs": 3, "values": [0.5918, 0.8403, 0.5988], "mean": 0.6769, "spread": 0.2484}, "at": 1789376179}, "tier": 1, "alerts": [], "total_sd": 0.369, "total_ci95": [35.305, 36.751], "relegate_reason": [], "submitted_at": 1789365285, "scored_at": 1789376179, "rank": 3518}, {"candidate_id": "ODC-52BD50", "res_at": 1788917541, "skeleton": "LREFYRCJWWZHRL", "hf_user": "Bio-JS", "display_name": "0909-S1-23", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 35.922, "axes": {"activity": 13.8, "binding": 8.77, "selectivity": 4.94, "admet": 3.83, "novelty": 2.62, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.428, "fraction": 0.46}, "binding": {"pIC50": 6.32, "LE": 0.376, "potency_term": 0.438, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.563, "target_engagement": 0.438}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.778, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.459, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.4277201455023, "aff_pf": -0.3153049349784851, "aff_hs": 0.8108894427617391, "repeats_pf": {"runs": 3, "values": [-0.2773, -0.2705, -0.3981], "mean": -0.3153, "spread": 0.1276}, "repeats_hs": {"runs": 3, "values": [0.7301, 0.79, 0.9126], "mean": 0.8109, "spread": 0.1825}, "at": 1788917541}, "tier": 1, "alerts": [], "total_sd": 0.545, "total_ci95": [35.04, 37.094], "relegate_reason": [], "submitted_at": 1788903027, "scored_at": 1788917541, "rank": 3519}, {"candidate_id": "ODC-E45683", "res_at": 1789546752, "skeleton": "OSCNZIBLQCFFAM", "hf_user": "Bio-JS", "display_name": "0916-S1-div08", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 35.915, "axes": {"activity": 13.6, "binding": 10.52, "selectivity": 3.18, "admet": 3.41, "novelty": 2.95, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.453}, "binding": {"pIC50": 6.58, "LE": 0.347, "potency_term": 0.526, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.526}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.339, "ld50-zhu": 0.494, "herg": 0.108, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.4159584994194425, "aff_pf": -0.577842632929484, "aff_hs": 0.026767507195472717, "repeats_pf": {"runs": 3, "values": [-0.5955, -0.5103, -0.6278], "mean": -0.5778, "spread": 0.1175}, "repeats_hs": {"runs": 3, "values": [-0.007, 0.0891, -0.0018], "mean": 0.0268, "spread": 0.0961}, "at": 1789546752}, "tier": 1, "alerts": [], "total_sd": 0.565, "total_ci95": [34.62, 37.017], "relegate_reason": [], "submitted_at": 1789526760, "scored_at": 1789546752, "rank": 3520}, {"candidate_id": "ODC-D0D1EF", "res_at": 1786956704, "skeleton": "MPDBXGXOOHCONR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.914, "axes": {"activity": 11.9, "binding": 11.69, "selectivity": 4.17, "admet": 3.39, "novelty": 1.95, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.397}, "binding": {"pIC50": 6.75, "LE": 0.356, "potency_term": 0.585, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.356, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.833, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.306, "ld50-zhu": 0.503, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "2", "pAct_q10": 5.314240299520778, "aff_pf": -0.7535937825838724, "aff_hs": -0.040975590546925865, "repeats_pf": {"runs": 3, "values": [-0.7647, -0.7847, -0.7114], "mean": -0.7536, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [-0.0579, 0.0222, -0.0873], "mean": -0.041, "spread": 0.1095}, "at": 1786956704}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956349, "scored_at": 1786956704, "alerts": [], "rank": 3521}, {"candidate_id": "ODC-384A59", "res_at": 1788234102, "skeleton": "SGOWZQPJEWDGBN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.901, "axes": {"activity": 10.28, "binding": 13.06, "selectivity": 2.64, "admet": 2.95, "novelty": 4.45, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 6.96, "LE": 0.367, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.202, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.638, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.21689024204993, "aff_pf": -0.9595466454823812, "aff_hs": -0.5552590092023214, "repeats_pf": {"runs": 3, "values": [-0.9, -1.0143, -0.9644], "mean": -0.9595, "spread": 0.1143}, "repeats_hs": {"runs": 3, "values": [-0.5283, -0.6108, -0.5267], "mean": -0.5553, "spread": 0.0841}, "at": 1788234102}, "tier": 1, "alerts": [], "total_sd": 0.582, "total_ci95": [34.749, 36.988], "relegate_reason": [], "submitted_at": 1788189850, "scored_at": 1788234102, "rank": 3522}, {"candidate_id": "ODC-52356F", "res_at": 1786949992, "skeleton": "PDJYPFMEVBDFFA", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 35.886, "axes": {"activity": 13.02, "binding": 10.21, "selectivity": 7.64, "admet": 3.3, "novelty": 0.0, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 6.53, "LE": 0.331, "potency_term": 0.511, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.3, "selectivity_term": 0.748, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.959, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.829, "herg": 0.133, "dili": 0.096}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "3", "pAct_q10": 5.381333614115275, "aff_pf": -0.5319455166657766, "aff_hs": 0.9638037284215292, "repeats_pf": {"runs": 3, "values": [-0.5583, -0.5905, -0.447], "mean": -0.5319, "spread": 0.1435}, "repeats_hs": {"runs": 3, "values": [1.026, 0.8471, 1.0183], "mean": 0.9638, "spread": 0.179}, "at": 1786949992}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937536, "scored_at": 1786949992, "alerts": [], "rank": 3523}, {"candidate_id": "ODC-D71D7E", "res_at": 1786977180, "skeleton": "ZBPVHGLFQNUECB", "hf_user": "takutoyo", "display_name": "PfD3-09", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 35.867, "axes": {"activity": 17.33, "binding": 7.01, "selectivity": 3.05, "admet": 2.89, "novelty": 3.28, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.64, "fraction": 0.578}, "binding": {"pIC50": 6.25, "LE": 0.252, "potency_term": 0.417, "efficiency_cap": 0.84}, "selectivity": {"fold": 5.4, "selectivity_term": 0.366, "target_engagement": 0.417}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.146, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.694, "ld50-zhu": 0.876, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.639833027089343, "aff_pf": -0.25234738488992053, "aff_hs": 0.47870658834775287, "repeats_pf": {"runs": 3, "values": [-0.2474, -0.1593, -0.3504], "mean": -0.2523, "spread": 0.1911}, "repeats_hs": {"runs": 3, "values": [0.4827, 0.5105, 0.4429], "mean": 0.4787, "spread": 0.0676}, "at": 1786977180}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975754, "scored_at": 1786977180, "alerts": [], "rank": 3524}, {"candidate_id": "ODC-EB0F54", "res_at": 1788545008, "skeleton": "BNAVQKHJABCYPB", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.804, "axes": {"activity": 14.71, "binding": 9.58, "selectivity": 4.24, "admet": 3.38, "novelty": 1.66, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.44, "LE": 0.367, "potency_term": 0.479, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.442, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.933, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.506, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.344, "herg": 0.639, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.661, "novelty": 0.339}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.482397762195747, "aff_pf": -0.43648112813631695, "aff_hs": 0.44833242893218994, "repeats_pf": {"runs": 3, "values": [-0.4303, -0.4909, -0.3883], "mean": -0.4365, "spread": 0.1025}, "repeats_hs": {"runs": 3, "values": [0.4153, 0.4838, 0.4459], "mean": 0.4483, "spread": 0.0684}, "at": 1788545008}, "tier": 1, "alerts": [], "total_sd": 0.375, "total_ci95": [35.208, 36.635], "relegate_reason": [], "submitted_at": 1788495759, "scored_at": 1788545008, "rank": 3525}, {"candidate_id": "ODC-DF07A4", "res_at": 1788819835, "skeleton": "IIQJVXIBDXZPRV", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SNIPER02]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 35.8, "axes": {"activity": 20.37, "binding": 5.46, "selectivity": 0.0, "admet": 2.71, "novelty": 4.44, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.822, "fraction": 0.679}, "binding": {"pIC50": 6.09, "LE": 0.225, "potency_term": 0.363, "efficiency_cap": 0.752}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.822365088580256, "aff_pf": -0.0899843027194341, "aff_hs": -0.5890105664730072, "repeats_pf": {"runs": 3, "values": [-0.1803, -0.0922, 0.0026], "mean": -0.09, "spread": 0.1829}, "repeats_hs": {"runs": 3, "values": [-0.4088, -0.5636, -0.7946], "mean": -0.589, "spread": 0.3858}, "at": 1788819835}, "tier": 1, "alerts": [], "total_sd": 0.248, "total_ci95": [35.26, 36.341], "relegate_reason": [], "submitted_at": 1788786106, "scored_at": 1788819835, "rank": 3526}, {"candidate_id": "ODC-500884", "res_at": 1787128105, "skeleton": "ZCKKRYMELQJVPB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········3)CC1", "total": 35.79, "axes": {"activity": 16.61, "binding": 6.91, "selectivity": 1.8, "admet": 4.41, "novelty": 3.55, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.597, "fraction": 0.554}, "binding": {"pIC50": 6.24, "LE": 0.251, "potency_term": 0.412, "efficiency_cap": 0.838}, "selectivity": {"fold": 2.7, "selectivity_term": 0.219, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.548, "cyp2c9-veith": 0.453, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.73, "herg": 0.083, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.596596045599478, "aff_pf": -0.23722028732299805, "aff_hs": 0.20007072885831198, "repeats_pf": {"runs": 3, "values": [-0.2867, -0.1937, -0.2312], "mean": -0.2372, "spread": 0.093}, "repeats_hs": {"runs": 3, "values": [0.3269, -0.209, 0.4823], "mean": 0.2001, "spread": 0.6914}, "at": 1787128105}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116581, "scored_at": 1787128105, "alerts": [], "rank": 3527}, {"candidate_id": "ODC-339ADC", "res_at": 1789911451, "skeleton": "YCLHXGXSCFGXGD", "hf_user": "Bio-JS", "display_name": "0918-S1-div27", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 35.789, "axes": {"activity": 12.79, "binding": 9.37, "selectivity": 5.95, "admet": 3.34, "novelty": 2.8, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 6.41, "LE": 0.337, "potency_term": 0.468, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.6, "selectivity_term": 0.635, "target_engagement": 0.468}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.712, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.511, "herg": 0.305, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.367149889325256, "aff_pf": -0.40507187445958454, "aff_hs": 0.8653340737024943, "repeats_pf": {"runs": 3, "values": [-0.468, -0.498, -0.2492], "mean": -0.4051, "spread": 0.2488}, "repeats_hs": {"runs": 3, "values": [0.8949, 0.8308, 0.8703], "mean": 0.8653, "spread": 0.0641}, "at": 1789911451}, "tier": 1, "alerts": [], "total_sd": 1.366, "total_ci95": [32.749, 37.664], "relegate_reason": [], "submitted_at": 1789687083, "scored_at": 1789911451, "rank": 3528}, {"candidate_id": "ODC-AE531A", "res_at": 1787266082, "skeleton": "FPAHVYZUHDEUCI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 35.77, "axes": {"activity": 16.13, "binding": 7.72, "selectivity": 3.74, "admet": 2.59, "novelty": 3.07, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.568, "fraction": 0.538}, "binding": {"pIC50": 6.45, "LE": 0.239, "potency_term": 0.485, "efficiency_cap": 0.797}, "selectivity": {"fold": 5.9, "selectivity_term": 0.386, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.513, "ld50-zhu": 0.823, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.567569942954586, "aff_pf": -0.4537679652372996, "aff_hs": 0.3182397683461507, "repeats_pf": {"runs": 3, "values": [-0.5259, -0.4313, -0.4041], "mean": -0.4538, "spread": 0.1218}, "repeats_hs": {"runs": 3, "values": [0.2588, 0.3188, 0.3771], "mean": 0.3182, "spread": 0.1183}, "at": 1787266082}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264786, "scored_at": 1787266082, "alerts": [], "rank": 3529}, {"candidate_id": "ODC-7EA155", "res_at": 1787496723, "skeleton": "XBBGQBRATCRBCJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········H]c1C", "total": 35.761, "axes": {"activity": 20.13, "binding": 3.39, "selectivity": 2.27, "admet": 3.5, "novelty": 4.35, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.808, "fraction": 0.671}, "binding": {"pIC50": 5.72, "LE": 0.212, "potency_term": 0.24, "efficiency_cap": 0.706}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.371, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.692, "herg": 0.391, "dili": 0.801}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 5.808061323866147, "aff_pf": 0.28022824227809906, "aff_hs": 1.2258727550506592, "repeats_pf": {"runs": 3, "values": [0.3451, 0.198, 0.2976], "mean": 0.2802, "spread": 0.1471}, "repeats_hs": {"runs": 3, "values": [1.2099, 1.2667, 1.201], "mean": 1.2259, "spread": 0.0657}, "at": 1787496723}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491752, "scored_at": 1787496723, "alerts": [], "rank": 3530}, {"candidate_id": "ODC-47A64F", "res_at": 1789921138, "skeleton": "ODFCBFUNHYWJGJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 35.759, "axes": {"activity": 19.49, "binding": 6.79, "selectivity": 1.04, "admet": 2.71, "novelty": 2.48, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 5.769, "fraction": 0.65}, "binding": {"pIC50": 6.22, "LE": 0.251, "potency_term": 0.406, "efficiency_cap": 0.835}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.406}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.547, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.698, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.313}}, "novelty": {"max_tanimoto": 0.618, "novelty": 0.382}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "2", "pAct_q10": 5.769118009496293, "aff_pf": -0.21899638076623282, "aff_hs": 0.0372066597143809, "repeats_pf": {"runs": 3, "values": [-0.0907, -0.4489, -0.1173], "mean": -0.219, "spread": 0.3582}, "repeats_hs": {"runs": 3, "values": [0.187, -0.0344, -0.0409], "mean": 0.0372, "spread": 0.2279}, "at": 1789921138}, "tier": 1, "alerts": [], "total_sd": 1.189, "total_ci95": [34.158, 38.644], "relegate_reason": [], "submitted_at": 1789907334, "scored_at": 1789921138, "rank": 3531}, {"candidate_id": "ODC-AA6C1D", "res_at": 1787241436, "skeleton": "YALDSBRQHWWWGJ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "CCc1cc(Nc2ccc(C(F)F)nc2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 35.738, "axes": {"activity": 13.48, "binding": 10.45, "selectivity": 3.2, "admet": 4.14, "novelty": 2.31, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.449}, "binding": {"pIC50": 6.57, "LE": 0.36, "potency_term": 0.523, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.306, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.887, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.34, "herg": 0.236, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.408558870763459, "aff_pf": -0.5676210621992747, "aff_hs": 0.04449435075124105, "repeats_pf": {"runs": 3, "values": [-0.6245, -0.6091, -0.4693], "mean": -0.5676, "spread": 0.1552}, "repeats_hs": {"runs": 3, "values": [0.0704, -0.0353, 0.0984], "mean": 0.0445, "spread": 0.1337}, "at": 1787241436}, "tier": 1, "relegate_reason": [], "submitted_at": 1787236994, "scored_at": 1787241436, "alerts": [], "rank": 3532}, {"candidate_id": "ODC-164421", "res_at": 1789877819, "skeleton": "BWRLVOZZXKAZSU", "hf_user": "Bio-JS", "display_name": "0917-S1-div24", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.736, "axes": {"activity": 15.71, "binding": 9.76, "selectivity": 0.8, "admet": 4.32, "novelty": 2.95, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 6.46, "LE": 0.341, "potency_term": 0.488, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.082, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.453, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.813, "herg": 0.708, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.542501991324292, "aff_pf": -0.46413881580034894, "aff_hs": -0.2992346982161204, "repeats_pf": {"runs": 3, "values": [-0.4591, -0.4398, -0.4935], "mean": -0.4641, "spread": 0.0537}, "repeats_hs": {"runs": 3, "values": [-0.3226, -0.3064, -0.2687], "mean": -0.2992, "spread": 0.0539}, "at": 1789877819}, "tier": 1, "alerts": [], "total_sd": 0.166, "total_ci95": [35.443, 36.042], "relegate_reason": [], "submitted_at": 1789628648, "scored_at": 1789877819, "rank": 3533}, {"candidate_id": "ODC-90278A", "res_at": 1786940942, "skeleton": "IWFHYSLDEVNARR", "hf_user": "1Dmeds", "display_name": "ODC26-R2Q-06", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.701, "axes": {"activity": 14.01, "binding": 10.65, "selectivity": 5.72, "admet": 3.23, "novelty": 0.0, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.44, "fraction": 0.467}, "binding": {"pIC50": 6.6, "LE": 0.348, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.888, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.402, "herg": 0.05, "dili": 0.471}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.440332876969755, "aff_pf": -0.5979894399642944, "aff_hs": 0.4766610364119212, "repeats_pf": {"runs": 3, "values": [-0.5248, -0.5712, -0.6979], "mean": -0.598, "spread": 0.1731}, "repeats_hs": {"runs": 3, "values": [0.5192, 0.4517, 0.4591], "mean": 0.4767, "spread": 0.0675}, "at": 1786940942}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930981, "scored_at": 1786940942, "alerts": [], "rank": 3534}, {"candidate_id": "ODC-FC79C8", "res_at": 1789928470, "skeleton": "QXINKWUEBNEJJK", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········nc2n1", "total": 35.646, "axes": {"activity": 10.26, "binding": 11.18, "selectivity": 5.67, "admet": 3.52, "novelty": 2.69, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.216, "fraction": 0.342}, "binding": {"pIC50": 6.68, "LE": 0.339, "potency_term": 0.559, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.523, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.413, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.215741919024199, "aff_pf": -0.6776518026987711, "aff_hs": 0.3364567657311757, "repeats_pf": {"runs": 3, "values": [-0.658, -0.6888, -0.6862], "mean": -0.6777, "spread": 0.0308}, "repeats_hs": {"runs": 3, "values": [0.2731, 0.3818, 0.3545], "mean": 0.3365, "spread": 0.1087}, "at": 1789928470}, "tier": 1, "alerts": [], "total_sd": 0.226, "total_ci95": [35.25, 36.045], "relegate_reason": [], "submitted_at": 1789925716, "scored_at": 1789928470, "rank": 3535}, {"candidate_id": "ODC-554B7C", "res_at": 1787651092, "skeleton": "ASPUDWFDNMGMJE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c([C··········(F)C1", "total": 35.644, "axes": {"activity": 10.88, "binding": 10.58, "selectivity": 6.04, "admet": 4.6, "novelty": 1.65, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 6.59, "LE": 0.347, "potency_term": 0.529, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.235, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.689, "novelty": 0.311}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.252646945287867, "aff_pf": -0.5873548984527588, "aff_hs": 0.5542458097139994, "repeats_pf": {"runs": 3, "values": [-0.592, -0.6132, -0.5569], "mean": -0.5874, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [0.5161, 0.5909, 0.5557], "mean": 0.5542, "spread": 0.0749}, "at": 1787651092}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643698, "scored_at": 1787651092, "alerts": [], "rank": 3536}, {"candidate_id": "ODC-82D88A", "res_at": 1786894625, "skeleton": "DUPWHIIXALXHHM", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 35.639, "axes": {"activity": 14.82, "binding": 9.6, "selectivity": 4.28, "admet": 2.44, "novelty": 2.55, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.489, "fraction": 0.494}, "binding": {"pIC50": 6.44, "LE": 0.327, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.575, "cyp2c9-veith": 0.323, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.627, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "2", "pAct_q10": 5.48915713752602, "aff_pf": -0.4394310216108958, "aff_hs": 0.4523053864638011, "repeats_pf": {"runs": 3, "values": [-0.3977, -0.4202, -0.5004], "mean": -0.4394, "spread": 0.1027}, "repeats_hs": {"runs": 3, "values": [0.2963, 0.5672, 0.4934], "mean": 0.4523, "spread": 0.2708}, "at": 1786894625}, "tier": 1, "relegate_reason": [], "submitted_at": 1786888053, "scored_at": 1786894625, "alerts": [], "rank": 3537}, {"candidate_id": "ODC-00296D", "res_at": 1787126359, "skeleton": "FTHNLEXRPUHKMD", "hf_user": "takutoyo", "display_name": "PfD7-B4", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 35.62, "axes": {"activity": 21.8, "binding": 1.32, "selectivity": 0.07, "admet": 4.45, "novelty": 5.22, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.908, "fraction": 0.727}, "binding": {"pIC50": 5.2, "LE": 0.297, "potency_term": 0.067, "efficiency_cap": 0.989}, "selectivity": {"fold": 1.3, "selectivity_term": 0.05, "target_engagement": 0.067}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.768, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.369, "herg": 0.62, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.907777240066914, "aff_pf": 0.800322969754537, "aff_hs": 0.9008054335912069, "repeats_pf": {"runs": 3, "values": [0.9212, 0.618, 0.8618], "mean": 0.8003, "spread": 0.3031}, "repeats_hs": {"runs": 3, "values": [1.0893, 0.8611, 0.752], "mean": 0.9008, "spread": 0.3372}, "at": 1787126359}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108246, "scored_at": 1787126359, "alerts": [], "rank": 3538}, {"candidate_id": "ODC-AC7C23", "res_at": 1787555316, "skeleton": "FJBGKYGNAHAPAF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)Oc··········(F)n1", "total": 35.618, "axes": {"activity": 15.93, "binding": 8.52, "selectivity": 1.43, "admet": 4.58, "novelty": 3.86, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.556, "fraction": 0.531}, "binding": {"pIC50": 6.28, "LE": 0.307, "potency_term": 0.426, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.426}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.888, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.674, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 4.29}}, "run": {"gpu": "3", "pAct_q10": 5.5558539103042826, "aff_pf": -0.2778594692548116, "aff_hs": 0.05877049763997396, "repeats_pf": {"runs": 3, "values": [-0.2572, -0.2419, -0.3345], "mean": -0.2779, "spread": 0.0926}, "repeats_hs": {"runs": 3, "values": [-0.0879, 0.0447, 0.2195], "mean": 0.0588, "spread": 0.3075}, "at": 1787555316}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537158, "scored_at": 1787555316, "alerts": [], "rank": 3539}, {"candidate_id": "ODC-B0F4D5", "res_at": 1788225222, "skeleton": "LOWOGVAYHRSPAH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 35.609, "axes": {"activity": 9.84, "binding": 13.32, "selectivity": 2.34, "admet": 4.5, "novelty": 2.62, "synthesis": 2.99}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 7.0, "LE": 0.369, "potency_term": 0.666, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.176, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 0.367, "ld50-zhu": 0.581, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.190309471731043, "aff_pf": -0.998324453830719, "aff_hs": -0.6463464895884196, "repeats_pf": {"runs": 3, "values": [-1.0897, -0.9398, -0.9654], "mean": -0.9983, "spread": 0.1499}, "repeats_hs": {"runs": 3, "values": [-0.6321, -0.6979, -0.6091], "mean": -0.6463, "spread": 0.0888}, "at": 1788225222}, "tier": 1, "alerts": [], "total_sd": 0.792, "total_ci95": [34.447, 37.477], "relegate_reason": [], "submitted_at": 1788223226, "scored_at": 1788225222, "rank": 3540}, {"candidate_id": "ODC-2D2552", "res_at": 1787425552, "skeleton": "PXGTZEDXLWNXHV", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 35.604, "axes": {"activity": 18.58, "binding": 5.96, "selectivity": 1.49, "admet": 2.41, "novelty": 4.39, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.619}, "binding": {"pIC50": 6.17, "LE": 0.229, "potency_term": 0.391, "efficiency_cap": 0.762}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.391}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.499, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.714719530867732, "aff_pf": -0.17347413301467896, "aff_hs": 0.20737406611442566, "repeats_pf": {"runs": 3, "values": [-0.1712, -0.1698, -0.1794], "mean": -0.1735, "spread": 0.0096}, "repeats_hs": {"runs": 3, "values": [0.2293, 0.2024, 0.1905], "mean": 0.2074, "spread": 0.0388}, "at": 1787425552}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424353, "scored_at": 1787425552, "alerts": [], "rank": 3541}, {"candidate_id": "ODC-E3C6CA", "res_at": 1788607173, "skeleton": "INAOKYAPBDRECT", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 35.592, "axes": {"activity": 13.84, "binding": 9.45, "selectivity": 5.21, "admet": 2.55, "novelty": 2.29, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.43, "fraction": 0.461}, "binding": {"pIC50": 6.42, "LE": 0.338, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.7, "selectivity_term": 0.551, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.458, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.4304601218981094, "aff_pf": -0.4174157778422038, "aff_hs": 0.6850988268852234, "repeats_pf": {"runs": 3, "values": [-0.3812, -0.4257, -0.4453], "mean": -0.4174, "spread": 0.0641}, "repeats_hs": {"runs": 3, "values": [0.7591, 0.6829, 0.6134], "mean": 0.6851, "spread": 0.1457}, "at": 1788607173}, "tier": 1, "alerts": [], "total_sd": 0.336, "total_ci95": [34.938, 36.154], "relegate_reason": [], "submitted_at": 1788583527, "scored_at": 1788607173, "rank": 3542}, {"candidate_id": "ODC-A9E561", "res_at": 1786948112, "skeleton": "HUOIHNIKPLCQPU", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 35.588, "axes": {"activity": 13.7, "binding": 9.78, "selectivity": 6.69, "admet": 3.62, "novelty": 0.0, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.47, "LE": 0.341, "potency_term": 0.489, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.4, "selectivity_term": 0.684, "target_engagement": 0.489}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.754, "herg": 0.177, "dili": 0.138}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "2", "pAct_q10": 5.4220369665842565, "aff_pf": -0.46670599778493244, "aff_hs": 0.9018364946047465, "repeats_pf": {"runs": 3, "values": [-0.4288, -0.5015, -0.4699], "mean": -0.4667, "spread": 0.0727}, "repeats_hs": {"runs": 3, "values": [0.8545, 0.9575, 0.8935], "mean": 0.9018, "spread": 0.1029}, "at": 1786948112}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937508, "scored_at": 1786948112, "alerts": [], "rank": 3543}, {"candidate_id": "ODC-049AD4", "res_at": 1787097240, "skeleton": "UYUDHFMSNRBTRI", "hf_user": "Ku-ku", "display_name": "A15_2tBu", "model_name": "triazolo-2pos-bulk", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.586, "axes": {"activity": 13.95, "binding": 9.19, "selectivity": 6.45, "admet": 2.49, "novelty": 1.3, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 6.38, "LE": 0.336, "potency_term": 0.46, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.3, "selectivity_term": 0.701, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.707, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.539, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.4370339396226885, "aff_pf": -0.37904659907023114, "aff_hs": 1.0235183636347454, "repeats_pf": {"runs": 3, "values": [-0.4628, -0.333, -0.3413], "mean": -0.379, "spread": 0.1298}, "repeats_hs": {"runs": 3, "values": [0.9908, 1.0768, 1.003], "mean": 1.0235, "spread": 0.086}, "at": 1787097240}, "tier": 1, "relegate_reason": [], "submitted_at": 1787096679, "scored_at": 1787097240, "alerts": [], "rank": 3544}, {"candidate_id": "ODC-226139", "res_at": 1789563713, "skeleton": "OLLKHCQLJNZRPS", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(S··········)nn12", "total": 35.581, "axes": {"activity": 12.83, "binding": 10.03, "selectivity": 4.5, "admet": 3.54, "novelty": 3.32, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 6.6, "LE": 0.282, "potency_term": 0.533, "efficiency_cap": 0.942}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.389, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.923, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 4.1}}, "run": {"gpu": "0", "pAct_q10": 5.369841326946548, "aff_pf": -0.5981559157371521, "aff_hs": 0.24592989683151245, "repeats_pf": {"runs": 3, "values": [-0.6153, -0.575, -0.6042], "mean": -0.5982, "spread": 0.0403}, "repeats_hs": {"runs": 3, "values": [0.2297, 0.2446, 0.2634], "mean": 0.2459, "spread": 0.0337}, "at": 1789563713}, "tier": 1, "alerts": [], "total_sd": 0.208, "total_ci95": [35.223, 35.938], "relegate_reason": [], "submitted_at": 1789563071, "scored_at": 1789563713, "rank": 3545}, {"candidate_id": "ODC-E8E07C", "res_at": 1787156187, "skeleton": "SQSGZBKIHSMQEC", "hf_user": "takutoyo", "display_name": "PfD8-B6", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 35.571, "axes": {"activity": 19.15, "binding": 5.7, "selectivity": 0.8, "admet": 3.37, "novelty": 4.06, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.749, "fraction": 0.638}, "binding": {"pIC50": 5.86, "LE": 0.297, "potency_term": 0.287, "efficiency_cap": 0.991}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.287}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.693, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.748844847108797, "aff_pf": 0.1379956677556038, "aff_hs": 0.4165623386700948, "repeats_pf": {"runs": 3, "values": [0.0588, 0.2228, 0.1324], "mean": 0.138, "spread": 0.164}, "repeats_hs": {"runs": 3, "values": [0.3311, 0.3385, 0.5801], "mean": 0.4166, "spread": 0.249}, "at": 1787156187}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148128, "scored_at": 1787156187, "alerts": [], "rank": 3546}, {"candidate_id": "ODC-3A4D25", "res_at": 1788230105, "skeleton": "CLPCHRUJZXQGFF", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 35.571, "axes": {"activity": 9.45, "binding": 10.76, "selectivity": 6.22, "admet": 4.99, "novelty": 2.37, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.167, "fraction": 0.315}, "binding": {"pIC50": 6.61, "LE": 0.378, "potency_term": 0.538, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.3, "selectivity_term": 0.577, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.618, "per_endpoint": {"solubility-aqsoldb": 0.579, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.207, "ld50-zhu": 0.532, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.167114098058511, "aff_pf": -0.6147434711456299, "aff_hs": 0.5401375889778137, "repeats_pf": {"runs": 3, "values": [-0.551, -0.6337, -0.6595], "mean": -0.6147, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [0.521, 0.62, 0.4794], "mean": 0.5401, "spread": 0.1407}, "at": 1788230105}, "tier": 1, "alerts": [], "total_sd": 0.611, "total_ci95": [34.21, 36.725], "relegate_reason": [], "submitted_at": 1788172571, "scored_at": 1788230105, "rank": 3547}, {"candidate_id": "ODC-7F6864", "res_at": 1787307599, "skeleton": "XNCFNBNYFZSBSQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········cc1Cl", "total": 35.562, "axes": {"activity": 19.46, "binding": 6.43, "selectivity": 0.0, "admet": 2.5, "novelty": 4.63, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.767, "fraction": 0.649}, "binding": {"pIC50": 6.25, "LE": 0.231, "potency_term": 0.417, "efficiency_cap": 0.771}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.417}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.347, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.067, "ld50-zhu": 0.859, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.767330699228466, "aff_pf": -0.24950726330280304, "aff_hs": -0.4638087848822276, "repeats_pf": {"runs": 3, "values": [-0.3283, -0.1876, -0.2326], "mean": -0.2495, "spread": 0.1407}, "repeats_hs": {"runs": 3, "values": [-0.496, -0.5269, -0.3685], "mean": -0.4638, "spread": 0.1584}, "at": 1787307599}, "tier": 1, "relegate_reason": [], "submitted_at": 1787306108, "scored_at": 1787307599, "alerts": [], "rank": 3548}, {"candidate_id": "ODC-BE6FFA", "res_at": 1786841149, "skeleton": "ZTOWOHQMIIBVJV", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········32)s1", "total": 35.546, "axes": {"activity": 9.94, "binding": 12.6, "selectivity": 5.21, "admet": 4.76, "novelty": 0.0, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.197, "fraction": 0.331}, "binding": {"pIC50": 6.89, "LE": 0.429, "potency_term": 0.63, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.63}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.522, "ld50-zhu": 0.425, "herg": 0.916, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "1", "pAct_q10": 5.196544734810742, "aff_pf": -0.889611025651296, "aff_hs": -0.06268727406859398, "repeats_pf": {"runs": 3, "values": [-0.9147, -0.9028, -0.8513], "mean": -0.8896, "spread": 0.0633}, "repeats_hs": {"runs": 3, "values": [-0.0498, -0.0538, -0.0845], "mean": -0.0627, "spread": 0.0347}, "at": 1786841149}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805809, "scored_at": 1786841149, "alerts": [], "rank": 3549}, {"candidate_id": "ODC-63299A", "res_at": 1786844201, "skeleton": "TZMPAXWVWBRVRY", "hf_user": "1Dmeds", "display_name": "ODC26-KO-01R2", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.519, "axes": {"activity": 10.86, "binding": 11.01, "selectivity": 6.11, "admet": 3.33, "novelty": 1.46, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 6.65, "LE": 0.38, "potency_term": 0.551, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.555, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.959, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 0.202, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.735, "novelty": 0.265}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "2", "pAct_q10": 5.251837897434793, "aff_pf": -0.6516162554423014, "aff_hs": 0.45832158128420514, "repeats_pf": {"runs": 3, "values": [-0.624, -0.661, -0.6698], "mean": -0.6516, "spread": 0.0458}, "repeats_hs": {"runs": 3, "values": [0.4545, 0.5329, 0.3875], "mean": 0.4583, "spread": 0.1454}, "at": 1786844201}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833041, "scored_at": 1786844201, "alerts": [], "rank": 3550}, {"candidate_id": "ODC-CB07BF", "res_at": 1787871801, "skeleton": "XEJMPFYUWAHDIO", "hf_user": "Moonweave", "display_name": "M5AI-F12-PRP-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 35.51, "axes": {"activity": 11.68, "binding": 11.29, "selectivity": 4.45, "admet": 2.11, "novelty": 3.44, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.389}, "binding": {"pIC50": 6.69, "LE": 0.316, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.067, "ld50-zhu": 0.497, "herg": 0.05, "dili": 0.386}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.300577766395588, "aff_pf": -0.6939408381779989, "aff_hs": 0.09414989004532497, "repeats_pf": {"runs": 3, "values": [-0.6573, -0.7532, -0.6712], "mean": -0.6939, "spread": 0.0959}, "repeats_hs": {"runs": 3, "values": [-0.0838, 0.149, 0.2172], "mean": 0.0941, "spread": 0.301}, "at": 1787843711}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791003, "scored_at": 1787843711, "alerts": [], "rank": 3551}, {"candidate_id": "ODC-7078A0", "res_at": 1788514514, "skeleton": "ZPSQURMISAGYTI", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SO2Me/Cl/p-OCF3", "model_name": "Bio-JS", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 35.493, "axes": {"activity": 11.36, "binding": 10.85, "selectivity": 4.18, "admet": 4.09, "novelty": 2.53, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.282, "fraction": 0.379}, "binding": {"pIC50": 6.63, "LE": 0.349, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.63, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.446, "herg": 0.15, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.2818626284825, "aff_pf": -0.6273126006126404, "aff_hs": 0.1433922996123632, "repeats_pf": {"runs": 3, "values": [-0.6643, -0.533, -0.6846], "mean": -0.6273, "spread": 0.1516}, "repeats_hs": {"runs": 3, "values": [0.0958, 0.1385, 0.1958], "mean": 0.1434, "spread": 0.1}, "at": 1788514514}, "tier": 1, "alerts": [], "total_sd": 0.768, "total_ci95": [34.302, 36.711], "relegate_reason": [], "submitted_at": 1788487527, "scored_at": 1788514514, "rank": 3552}, {"candidate_id": "ODC-940346", "res_at": 1788091009, "skeleton": "KXVPYWFHFLZVIY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 35.479, "axes": {"activity": 16.3, "binding": 6.07, "selectivity": 4.09, "admet": 3.37, "novelty": 3.36, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.578, "fraction": 0.543}, "binding": {"pIC50": 5.97, "LE": 0.282, "potency_term": 0.323, "efficiency_cap": 0.94}, "selectivity": {"fold": 18.5, "selectivity_term": 0.634, "target_engagement": 0.323}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.578119187864012, "aff_pf": 0.03136973331371943, "aff_hs": 1.2993253866831462, "repeats_pf": {"runs": 3, "values": [0.1677, -0.1032, 0.0296], "mean": 0.0314, "spread": 0.271}, "repeats_hs": {"runs": 3, "values": [1.2628, 1.3247, 1.3104], "mean": 1.2993, "spread": 0.0619}, "at": 1788091009}, "tier": 1, "alerts": [], "total_sd": 0.906, "total_ci95": [34.124, 37.484], "relegate_reason": [], "submitted_at": 1788080564, "scored_at": 1788091009, "rank": 3553}, {"candidate_id": "ODC-095132", "res_at": 1786858847, "skeleton": "DXTSSGJCVONTCL", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.47, "axes": {"activity": 9.77, "binding": 12.98, "selectivity": 3.17, "admet": 5.49, "novelty": 0.97, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.326}, "binding": {"pIC50": 6.95, "LE": 0.397, "potency_term": 0.649, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.584}}, "novelty": {"max_tanimoto": 0.851, "novelty": 0.149}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.1859904971302955, "aff_pf": -0.9464550415674845, "aff_hs": -0.45733631650606793, "repeats_pf": {"runs": 3, "values": [-0.9086, -0.9611, -0.9696], "mean": -0.9465, "spread": 0.061}, "repeats_hs": {"runs": 3, "values": [-0.4348, -0.5258, -0.4114], "mean": -0.4573, "spread": 0.1144}, "at": 1786858847}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850271, "scored_at": 1786858847, "alerts": [], "rank": 3554}, {"candidate_id": "ODC-1223AC", "res_at": 1788265111, "skeleton": "FVEZIFNMOVKBBM", "hf_user": "Ku-ku", "display_name": "KK-M-0831-061", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 35.466, "axes": {"activity": 11.67, "binding": 10.62, "selectivity": 3.27, "admet": 4.93, "novelty": 3.0, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 6.59, "LE": 0.347, "potency_term": 0.531, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.308, "target_engagement": 0.531}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.603, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.511, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.533, "herg": 0.24, "dili": 0.495}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 5.3004638733528395, "aff_pf": -0.5930401086807251, "aff_hs": 0.022492239872614544, "repeats_pf": {"runs": 3, "values": [-0.6021, -0.621, -0.556], "mean": -0.593, "spread": 0.065}, "repeats_hs": {"runs": 3, "values": [0.1422, 0.0531, -0.1278], "mean": 0.0225, "spread": 0.27}, "at": 1788265111}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.454, "total_ci95": [34.408, 36.26], "relegate_reason": [], "submitted_at": 1788231451, "scored_at": 1788265111, "rank": 3555}, {"candidate_id": "ODC-7333C3", "res_at": 1786977091, "skeleton": "GVBXFZIWAGUFNK", "hf_user": "takutoyo", "display_name": "PfD3-11", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 35.413, "axes": {"activity": 17.52, "binding": 5.63, "selectivity": 4.26, "admet": 3.03, "novelty": 2.73, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.651, "fraction": 0.584}, "binding": {"pIC50": 6.07, "LE": 0.237, "potency_term": 0.356, "efficiency_cap": 0.792}, "selectivity": {"fold": 15.7, "selectivity_term": 0.598, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 0.977, "pgp-broccatelli": 0.548, "cyp2c9-veith": 0.538, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.757, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.532, "novelty": 0.468}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "2", "pAct_q10": 5.651040052590035, "aff_pf": -0.06696328769127528, "aff_hs": 1.1296640237172444, "repeats_pf": {"runs": 3, "values": [-0.1003, -0.024, -0.0766], "mean": -0.067, "spread": 0.0763}, "repeats_hs": {"runs": 3, "values": [1.0329, 1.1842, 1.1719], "mean": 1.1297, "spread": 0.1513}, "at": 1786977091}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975788, "scored_at": 1786977091, "alerts": [], "rank": 3556}, {"candidate_id": "ODC-D18D4D", "res_at": 1788226031, "skeleton": "KCULJVGFFPMSFY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.405, "axes": {"activity": 11.55, "binding": 12.7, "selectivity": 1.45, "admet": 2.69, "novelty": 4.47, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 6.9, "LE": 0.35, "potency_term": 0.635, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.635}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.958, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.863, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.293151166100461, "aff_pf": -0.9048135876655579, "aff_hs": -0.6770353118578593, "repeats_pf": {"runs": 3, "values": [-0.9024, -0.9276, -0.8845], "mean": -0.9048, "spread": 0.0431}, "repeats_hs": {"runs": 3, "values": [-0.6828, -0.6905, -0.6578], "mean": -0.677, "spread": 0.0327}, "at": 1788226031}, "tier": 1, "alerts": [], "total_sd": 0.199, "total_ci95": [35.039, 35.8], "relegate_reason": [], "submitted_at": 1788223242, "scored_at": 1788226031, "rank": 3557}, {"candidate_id": "ODC-AA6BD5", "res_at": 1787425775, "skeleton": "XURHCSXIWCCASN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 35.393, "axes": {"activity": 17.36, "binding": 6.1, "selectivity": 3.45, "admet": 2.55, "novelty": 3.39, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.641, "fraction": 0.579}, "binding": {"pIC50": 6.22, "LE": 0.224, "potency_term": 0.408, "efficiency_cap": 0.748}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.097, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.919, "ld50-zhu": 0.775, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.641313367164913, "aff_pf": -0.22414695223172507, "aff_hs": 0.6225196917851766, "repeats_pf": {"runs": 3, "values": [-0.0844, -0.267, -0.3211], "mean": -0.2241, "spread": 0.2367}, "repeats_hs": {"runs": 3, "values": [0.5616, 0.7231, 0.5829], "mean": 0.6225, "spread": 0.1615}, "at": 1787425775}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424372, "scored_at": 1787425775, "alerts": [], "rank": 3558}, {"candidate_id": "ODC-D636F6", "res_at": 1789956070, "skeleton": "RVUMIFBGVHZOKL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 35.393, "axes": {"activity": 21.79, "binding": 1.08, "selectivity": 0.0, "admet": 4.8, "novelty": 5.03, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 5.907, "fraction": 0.726}, "binding": {"pIC50": 4.93, "LE": 0.193, "potency_term": 0.084, "efficiency_cap": 0.643}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.954, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 5.9074973220614755, "aff_pf": 1.068406621615092, "aff_hs": 0.5224780639012655, "repeats_pf": {"runs": 3, "values": [1.0887, 1.034, 1.0825], "mean": 1.0684, "spread": 0.0548}, "repeats_hs": {"runs": 3, "values": [0.6045, 0.4872, 0.4758], "mean": 0.5225, "spread": 0.1287}, "at": 1789956070}, "tier": 1, "alerts": [], "total_sd": 0.041, "total_ci95": [35.335, 35.499], "relegate_reason": [], "submitted_at": 1789863680, "scored_at": 1789956070, "rank": 3559}, {"candidate_id": "ODC-DFACB2", "res_at": 1786839004, "skeleton": "IDQVGAQKKBPYDY", "hf_user": "Jt1004", "display_name": "Jt1004", "model_name": "OpenAI GPT-5.6 Sol + ODC Harness v1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.387, "axes": {"activity": 13.02, "binding": 10.05, "selectivity": 4.42, "admet": 3.89, "novelty": 1.77, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 6.51, "LE": 0.388, "potency_term": 0.502, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.207, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.447, "herg": 0.635, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.380912665429604, "aff_pf": -0.5068804919719696, "aff_hs": 0.3731752832730611, "repeats_pf": {"runs": 3, "values": [-0.4503, -0.573, -0.4974], "mean": -0.5069, "spread": 0.1227}, "repeats_hs": {"runs": 3, "values": [0.3221, 0.3772, 0.4203], "mean": 0.3732, "spread": 0.0982}, "at": 1786839004}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805027, "scored_at": 1786839004, "alerts": [], "rank": 3560}, {"candidate_id": "ODC-42AE55", "res_at": 1787650514, "skeleton": "ZSKIHAHTSSMJME", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c([C··········C)CC1", "total": 35.374, "axes": {"activity": 12.58, "binding": 8.96, "selectivity": 6.21, "admet": 4.12, "novelty": 1.89, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.355, "fraction": 0.419}, "binding": {"pIC50": 6.34, "LE": 0.348, "potency_term": 0.448, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.3, "selectivity_term": 0.693, "target_engagement": 0.448}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.675, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.888, "herg": 0.275, "dili": 0.693}}, "novelty": {"max_tanimoto": 0.578, "novelty": 0.422}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.354771394771745, "aff_pf": -0.3442949950695038, "aff_hs": 1.0421833197275798, "repeats_pf": {"runs": 3, "values": [-0.3205, -0.3222, -0.3901], "mean": -0.3443, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [1.0273, 1.058, 1.0413], "mean": 1.0422, "spread": 0.0307}, "at": 1787650514}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643686, "scored_at": 1787650514, "alerts": [], "rank": 3561}, {"candidate_id": "ODC-C70E64", "res_at": 1787698420, "skeleton": "YFMBAYONZIAYSH", "hf_user": "Bio-JS", "display_name": "동일무게·극성: 4-(2-옥소피롤리딘-1-일)페닐 (13)", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 35.37, "axes": {"activity": 15.59, "binding": 9.04, "selectivity": 3.47, "admet": 1.56, "novelty": 3.46, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 6.54, "LE": 0.264, "potency_term": 0.514, "efficiency_cap": 0.879}, "selectivity": {"fold": 4.7, "selectivity_term": 0.337, "target_engagement": 0.514}, "admet": {"geometric_mean": 0.2, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.391, "herg": 0.05, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.535138020091267, "aff_pf": -0.542348325252533, "aff_hs": 0.1324916879336039, "repeats_pf": {"runs": 3, "values": [-0.5547, -0.6285, -0.4439], "mean": -0.5423, "spread": 0.1846}, "repeats_hs": {"runs": 3, "values": [0.0231, 0.0875, 0.2868], "mean": 0.1325, "spread": 0.2637}, "at": 1787698420}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696976, "scored_at": 1787698420, "alerts": [], "rank": 3562}, {"candidate_id": "ODC-ADF62A", "res_at": 1789408233, "skeleton": "CTRNNKMIYGAKRA", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 35.339, "axes": {"activity": 14.47, "binding": 9.05, "selectivity": 3.99, "admet": 3.78, "novelty": 2.6, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.468, "fraction": 0.482}, "binding": {"pIC50": 6.39, "LE": 0.292, "potency_term": 0.465, "efficiency_cap": 0.973}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.465}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.919, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.903, "herg": 0.076, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.468182076358765, "aff_pf": -0.3939860463142395, "aff_hs": 0.46513307094573975, "repeats_pf": {"runs": 3, "values": [-0.4136, -0.408, -0.3604], "mean": -0.394, "spread": 0.0532}, "repeats_hs": {"runs": 3, "values": [0.5297, 0.3815, 0.4842], "mean": 0.4651, "spread": 0.1482}, "at": 1789408233}, "tier": 1, "alerts": [], "total_sd": 0.257, "total_ci95": [34.826, 35.817], "relegate_reason": [], "submitted_at": 1789407583, "scored_at": 1789408233, "rank": 3563}, {"candidate_id": "ODC-A6BABF", "res_at": 1787554717, "skeleton": "LFVCVWODKXGTMZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N1C··········)(F)F", "total": 35.327, "axes": {"activity": 16.71, "binding": 6.6, "selectivity": 0.93, "admet": 5.02, "novelty": 4.23, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.04, "LE": 0.285, "potency_term": 0.347, "efficiency_cap": 0.951}, "selectivity": {"fold": 1.8, "selectivity_term": 0.133, "target_engagement": 0.347}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 0.807, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.819, "cyp3a4-substrate-carbonmangels": 0.421, "ld50-zhu": 0.987, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.602588755622027, "aff_pf": -0.04140052696069082, "aff_hs": 0.2253218193848928, "repeats_pf": {"runs": 3, "values": [-0.1071, -0.0039, -0.0132], "mean": -0.0414, "spread": 0.1031}, "repeats_hs": {"runs": 3, "values": [0.1474, 0.3187, 0.2098], "mean": 0.2253, "spread": 0.1713}, "at": 1787554717}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537099, "scored_at": 1787554717, "alerts": [], "rank": 3564}, {"candidate_id": "ODC-37D413", "res_at": 1788474405, "skeleton": "VXXCNLKUIXDHRT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R160-04", "model_name": "Claude Opus 5 · CYP51 pyridine series", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 35.311, "axes": {"activity": 21.46, "binding": 2.02, "selectivity": 0.65, "admet": 3.65, "novelty": 4.74, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.888, "fraction": 0.715}, "binding": {"pIC50": 5.44, "LE": 0.207, "potency_term": 0.147, "efficiency_cap": 0.69}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.147}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.28, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.887852319749681, "aff_pf": 0.5603863894939423, "aff_hs": 1.0048378705978394, "repeats_pf": {"runs": 3, "values": [0.6969, 0.4694, 0.5148], "mean": 0.5604, "spread": 0.2275}, "repeats_hs": {"runs": 3, "values": [0.9027, 1.0814, 1.0305], "mean": 1.0048, "spread": 0.1787}, "at": 1788474405}, "tier": 1, "alerts": [], "total_sd": 0.426, "total_ci95": [34.663, 36.142], "relegate_reason": [], "submitted_at": 1788414268, "scored_at": 1788474405, "rank": 3565}, {"candidate_id": "ODC-042346", "res_at": 1789908685, "skeleton": "YENOWZZABGWIAI", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.294, "axes": {"activity": 11.48, "binding": 9.45, "selectivity": 5.97, "admet": 3.95, "novelty": 2.28, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.289, "fraction": 0.383}, "binding": {"pIC50": 6.42, "LE": 0.366, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.4, "selectivity_term": 0.632, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.491, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.587, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.403, "herg": 0.841, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.288775059557854, "aff_pf": -0.41722219189008075, "aff_hs": 0.8465615709622701, "repeats_pf": {"runs": 3, "values": [-0.3414, -0.4703, -0.44], "mean": -0.4172, "spread": 0.129}, "repeats_hs": {"runs": 3, "values": [0.7689, 0.9539, 0.817], "mean": 0.8466, "spread": 0.185}, "at": 1789908685}, "tier": 1, "alerts": [], "total_sd": 0.727, "total_ci95": [33.477, 36.526], "relegate_reason": [], "submitted_at": 1789828738, "scored_at": 1789908685, "rank": 3566}, {"candidate_id": "ODC-A6EFC8", "res_at": 1786976347, "skeleton": "RFPWJCVHNJWGNL", "hf_user": "takutoyo", "display_name": "PfD3-02", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 35.283, "axes": {"activity": 16.89, "binding": 7.96, "selectivity": 2.15, "admet": 2.8, "novelty": 2.9, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.613, "fraction": 0.563}, "binding": {"pIC50": 6.19, "LE": 0.326, "potency_term": 0.398, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.22, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.674, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.613268489358019, "aff_pf": -0.19424153864383698, "aff_hs": 0.3451056083043416, "repeats_pf": {"runs": 3, "values": [-0.2162, -0.1479, -0.2186], "mean": -0.1942, "spread": 0.0706}, "repeats_hs": {"runs": 3, "values": [0.348, 0.2023, 0.4851], "mean": 0.3451, "spread": 0.2828}, "at": 1786976347}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975611, "scored_at": 1786976347, "alerts": [], "rank": 3567}, {"candidate_id": "ODC-4197C3", "res_at": 1786977739, "skeleton": "RIGSOHRQYKBLGV", "hf_user": "takutoyo", "display_name": "PfD3-13", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 35.244, "axes": {"activity": 20.33, "binding": 4.02, "selectivity": 1.67, "admet": 4.35, "novelty": 2.56, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.82, "fraction": 0.678}, "binding": {"pIC50": 5.8, "LE": 0.227, "potency_term": 0.265, "efficiency_cap": 0.756}, "selectivity": {"fold": 4.3, "selectivity_term": 0.315, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 0.652, "pgp-broccatelli": 0.268, "cyp2c9-veith": 0.761, "cyp3a4-substrate-carbonmangels": 0.774, "ld50-zhu": 0.833, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.819934411875233, "aff_pf": 0.2035137116909027, "aff_hs": 0.8331765731175741, "repeats_pf": {"runs": 3, "values": [0.2144, 0.1945, 0.2016], "mean": 0.2035, "spread": 0.0199}, "repeats_hs": {"runs": 3, "values": [0.8073, 0.9995, 0.6927], "mean": 0.8332, "spread": 0.3068}, "at": 1786977739}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975813, "scored_at": 1786977739, "alerts": [], "rank": 3568}, {"candidate_id": "ODC-AF4723", "res_at": 1787585199, "skeleton": "NWDPJPBRURXWRM", "hf_user": "Moonweave", "display_name": "M5AI-RN-S1", "model_name": "OpenAI Codex — reference-neighborhood diagnostic", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········C2)s1", "total": 35.234, "axes": {"activity": 13.92, "binding": 9.23, "selectivity": 5.53, "admet": 3.0, "novelty": 1.22, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.435, "fraction": 0.464}, "binding": {"pIC50": 6.38, "LE": 0.364, "potency_term": 0.462, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.8, "selectivity_term": 0.599, "target_engagement": 0.462}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.323, "herg": 0.05, "dili": 0.831}}, "novelty": {"max_tanimoto": 0.738, "novelty": 0.262}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 5.435493756020144, "aff_pf": -0.38482574621836346, "aff_hs": 0.8140739401181539, "repeats_pf": {"runs": 3, "values": [-0.3961, -0.4087, -0.3497], "mean": -0.3848, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [0.9077, 0.6166, 0.9179], "mean": 0.8141, "spread": 0.3013}, "at": 1787585199}, "tier": 1, "relegate_reason": [], "submitted_at": 1787582050, "scored_at": 1787585199, "alerts": [], "rank": 3569}, {"candidate_id": "ODC-B1634E", "res_at": 1786955478, "skeleton": "QLEWVARAGNXURQ", "hf_user": "takutoyo", "display_name": "PfD2-B1", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 35.234, "axes": {"activity": 19.37, "binding": 4.07, "selectivity": 2.48, "admet": 4.55, "novelty": 2.37, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.762, "fraction": 0.646}, "binding": {"pIC50": 5.76, "LE": 0.239, "potency_term": 0.255, "efficiency_cap": 0.798}, "selectivity": {"fold": 9.4, "selectivity_term": 0.487, "target_engagement": 0.255}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.529, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 0.81, "ld50-zhu": 0.743, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.7624199847156135, "aff_pf": 0.23524856567382812, "aff_hs": 1.2093288103739421, "repeats_pf": {"runs": 3, "values": [0.23, 0.1832, 0.2925], "mean": 0.2352, "spread": 0.1093}, "repeats_hs": {"runs": 3, "values": [1.2607, 1.2029, 1.1644], "mean": 1.2093, "spread": 0.0963}, "at": 1786955478}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950175, "scored_at": 1786955478, "alerts": [], "rank": 3570}, {"candidate_id": "ODC-C53B2B", "res_at": 1789324281, "skeleton": "DRLIRGAHGLYNGL", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-01_MorphMe", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.218, "axes": {"activity": 15.86, "binding": 8.36, "selectivity": 1.51, "admet": 3.86, "novelty": 3.07, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.551, "fraction": 0.529}, "binding": {"pIC50": 6.25, "LE": 0.33, "potency_term": 0.418, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.18, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.643, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.773, "cyp3a4-substrate-carbonmangels": 0.099, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.5514967385637455, "aff_pf": -0.2546508014202118, "aff_hs": 0.10633397102355957, "repeats_pf": {"runs": 3, "values": [-0.3135, -0.2634, -0.187], "mean": -0.2547, "spread": 0.1265}, "repeats_hs": {"runs": 3, "values": [0.041, 0.1218, 0.1562], "mean": 0.1063, "spread": 0.1152}, "at": 1789324281}, "tier": 1, "alerts": [], "total_sd": 0.375, "total_ci95": [34.452, 35.989], "relegate_reason": [], "submitted_at": 1789318262, "scored_at": 1789324281, "rank": 3571}, {"candidate_id": "ODC-A2601D", "res_at": 1789568551, "skeleton": "UNFBPYACCXDKGD", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 35.181, "axes": {"activity": 15.6, "binding": 8.98, "selectivity": 2.4, "admet": 3.34, "novelty": 3.54, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.536, "fraction": 0.52}, "binding": {"pIC50": 6.5, "LE": 0.27, "potency_term": 0.499, "efficiency_cap": 0.899}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.499}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.511, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.814, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 4.21}}, "run": {"gpu": "0", "pAct_q10": 5.535764878963393, "aff_pf": -0.4981757005055745, "aff_hs": -0.0184494952360789, "repeats_pf": {"runs": 3, "values": [-0.4485, -0.5893, -0.4567], "mean": -0.4982, "spread": 0.1408}, "repeats_hs": {"runs": 3, "values": [0.0142, 0.0147, -0.0843], "mean": -0.0184, "spread": 0.099}, "at": 1789568551}, "tier": 1, "alerts": [], "total_sd": 0.554, "total_ci95": [34.375, 36.663], "relegate_reason": [], "submitted_at": 1789567300, "scored_at": 1789568551, "rank": 3572}, {"candidate_id": "ODC-B58174", "res_at": 1786928520, "skeleton": "VJRFHKDZWQMKPR", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········cc1Br", "total": 35.168, "axes": {"activity": 17.25, "binding": 8.44, "selectivity": 0.04, "admet": 3.37, "novelty": 3.72, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.635, "fraction": 0.575}, "binding": {"pIC50": 6.27, "LE": 0.33, "potency_term": 0.422, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.005, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.614, "ld50-zhu": 0.484, "herg": 0.352, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.635070674371342, "aff_pf": -0.2664324666062991, "aff_hs": -0.256991242369016, "repeats_pf": {"runs": 3, "values": [-0.015, -0.1956, -0.5887], "mean": -0.2664, "spread": 0.5738}, "repeats_hs": {"runs": 3, "values": [-0.2216, -0.338, -0.2113], "mean": -0.257, "spread": 0.1267}, "at": 1786928520}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924538, "scored_at": 1786928520, "alerts": [], "rank": 3573}, {"candidate_id": "ODC-7B295A", "res_at": 1786869846, "skeleton": "GNUAAFZWCZFTDD", "hf_user": "Melchi-zedek", "display_name": "Codex-PfDHODH-05-Feedback", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········C(F)F", "total": 35.156, "axes": {"activity": 7.04, "binding": 14.46, "selectivity": 3.53, "admet": 3.78, "novelty": 3.43, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.022, "fraction": 0.235}, "binding": {"pIC50": 7.17, "LE": 0.364, "potency_term": 0.723, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.244, "target_engagement": 0.723}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.926, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.371, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 5.022339799044328, "aff_pf": -1.1693953275680542, "aff_hs": -0.6807806690533956, "repeats_pf": {"runs": 3, "values": [-1.1483, -1.1926, -1.1674], "mean": -1.1694, "spread": 0.0443}, "repeats_hs": {"runs": 3, "values": [-0.6616, -0.689, -0.6918], "mean": -0.6808, "spread": 0.0302}, "at": 1786869846}, "tier": 1, "relegate_reason": [], "submitted_at": 1786862975, "scored_at": 1786869846, "alerts": [], "rank": 3574}, {"candidate_id": "ODC-22066B", "res_at": 1786844202, "skeleton": "ADGFLBPPSZMLJM", "hf_user": "Melchi-zedek", "display_name": "Codex-PfDHODH-02-Activity", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 35.152, "axes": {"activity": 9.72, "binding": 13.58, "selectivity": 0.53, "admet": 4.65, "novelty": 4.01, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 7.04, "LE": 0.371, "potency_term": 0.679, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.039, "target_engagement": 0.679}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.692, "herg": 0.179, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.183290300018037, "aff_pf": -1.036907951037089, "aff_hs": -0.9585694074630737, "repeats_pf": {"runs": 3, "values": [-1.0816, -0.9718, -1.0573], "mean": -1.0369, "spread": 0.1099}, "repeats_hs": {"runs": 3, "values": [-1.0203, -0.971, -0.8844], "mean": -0.9586, "spread": 0.1359}, "at": 1786844202}, "tier": 1, "relegate_reason": [], "submitted_at": 1786826195, "scored_at": 1786844202, "alerts": [], "rank": 3575}, {"candidate_id": "ODC-8A0DD3", "res_at": 1787555714, "skeleton": "NHBSUWWVGLKKPY", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 35.15, "axes": {"activity": 16.7, "binding": 7.53, "selectivity": 0.0, "admet": 5.03, "novelty": 4.16, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.602, "fraction": 0.557}, "binding": {"pIC50": 6.16, "LE": 0.291, "potency_term": 0.388, "efficiency_cap": 0.971}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.388}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.75, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.685, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "3", "pAct_q10": 5.601896242732983, "aff_pf": -0.16375194489955902, "aff_hs": -0.17633995413780212, "repeats_pf": {"runs": 3, "values": [-0.1384, -0.1229, -0.2299], "mean": -0.1638, "spread": 0.107}, "repeats_hs": {"runs": 3, "values": [-0.1836, -0.1662, -0.1792], "mean": -0.1763, "spread": 0.0174}, "at": 1787555714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537193, "scored_at": 1787555714, "alerts": [], "rank": 3576}, {"candidate_id": "ODC-33CDB8", "res_at": 1787007077, "skeleton": "NKFHGDBBNVUZFV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 35.146, "axes": {"activity": 21.78, "binding": 0.81, "selectivity": 0.0, "admet": 5.04, "novelty": 4.61, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.907, "fraction": 0.726}, "binding": {"pIC50": 5.12, "LE": 0.305, "potency_term": 0.04, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.0, "selectivity_term": 0.0, "target_engagement": 0.04}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.433, "ld50-zhu": 0.483, "herg": 0.671, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.906678066350765, "aff_pf": 0.8785665035247803, "aff_hs": -0.4766235649585724, "repeats_pf": {"runs": 3, "values": [0.8307, 0.8913, 0.9137], "mean": 0.8786, "spread": 0.083}, "repeats_hs": {"runs": 3, "values": [-0.5094, -0.4666, -0.4538], "mean": -0.4766, "spread": 0.0556}, "at": 1787007077}, "tier": 1, "relegate_reason": [], "submitted_at": 1787006893, "scored_at": 1787007077, "alerts": [], "rank": 3577}, {"candidate_id": "ODC-39C778", "res_at": 1787496322, "skeleton": "ASQAHCWVNDIASK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········c2)s1", "total": 35.139, "axes": {"activity": 14.56, "binding": 8.59, "selectivity": 4.87, "admet": 2.2, "novelty": 3.26, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.485}, "binding": {"pIC50": 6.55, "LE": 0.249, "potency_term": 0.517, "efficiency_cap": 0.831}, "selectivity": {"fold": 8.8, "selectivity_term": 0.471, "target_engagement": 0.517}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.334, "hia-hou": 1.0, "bioavailability-ma": 0.971, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.786, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.482, "herg": 0.29, "dili": 0.454}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.47385597926964, "aff_pf": -0.5503485202789307, "aff_hs": 0.3921557366847992, "repeats_pf": {"runs": 3, "values": [-0.5865, -0.4777, -0.5869], "mean": -0.5503, "spread": 0.1092}, "repeats_hs": {"runs": 3, "values": [0.3992, 0.4064, 0.3709], "mean": 0.3922, "spread": 0.0355}, "at": 1787496322}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491746, "scored_at": 1787496322, "alerts": [], "rank": 3578}, {"candidate_id": "ODC-3DB5A1", "res_at": 1787179866, "skeleton": "RFRHYSGAMOHYGN", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc(-c2ccc(S(=O)(=O)NCc3ccc(-c4cccc(C(F)(F)F)c4)cc3)cc2)cc2nc[nH]c12", "smiles_masked": null, "total": 35.13, "axes": {"activity": 15.26, "binding": 11.28, "selectivity": 0.0, "admet": 2.33, "novelty": 3.47, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.515, "fraction": 0.509}, "binding": {"pIC50": 7.01, "LE": 0.253, "potency_term": 0.669, "efficiency_cap": 0.842}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.669}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.612, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.568, "ld50-zhu": 0.669, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.515316998833761, "aff_pf": -1.008273184299469, "aff_hs": -1.1823543707529705, "repeats_pf": {"runs": 3, "values": [-1.096, -0.9938, -0.935], "mean": -1.0083, "spread": 0.161}, "repeats_hs": {"runs": 3, "values": [-1.2053, -1.0937, -1.2481], "mean": -1.1824, "spread": 0.1544}, "at": 1787179866}, "tier": 1, "relegate_reason": [], "submitted_at": 1787179673, "scored_at": 1787179866, "alerts": [], "rank": 3579}, {"candidate_id": "ODC-C88E31", "res_at": 1787183470, "skeleton": "RKKCRECIKUOZDR", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc2[nH]cnc2cc1-c1ccc(S(=O)(=O)NCc2ccc(-c3ccccc3C(F)(F)F)cc2)cc1", "smiles_masked": null, "total": 35.13, "axes": {"activity": 16.48, "binding": 8.99, "selectivity": 1.25, "admet": 2.42, "novelty": 3.26, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.589, "fraction": 0.549}, "binding": {"pIC50": 6.68, "LE": 0.241, "potency_term": 0.56, "efficiency_cap": 0.803}, "selectivity": {"fold": 1.7, "selectivity_term": 0.111, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 0.673, "ld50-zhu": 0.575, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "3", "pAct_q10": 5.589067636907546, "aff_pf": -0.679391105969747, "aff_hs": -0.45696085691452026, "repeats_pf": {"runs": 3, "values": [-0.6943, -0.6976, -0.6462], "mean": -0.6794, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [-0.2898, -0.544, -0.5371], "mean": -0.457, "spread": 0.2543}, "at": 1787183470}, "tier": 1, "relegate_reason": [], "submitted_at": 1787183279, "scored_at": 1787183470, "alerts": [], "rank": 3580}, {"candidate_id": "ODC-E600FA", "res_at": 1789892210, "skeleton": "OQVSDWOQVBIKJW", "hf_user": "Bio-JS", "display_name": "0918-S1-div26", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 35.127, "axes": {"activity": 12.6, "binding": 9.7, "selectivity": 3.92, "admet": 4.24, "novelty": 2.67, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 6.45, "LE": 0.328, "potency_term": 0.485, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.404, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.683, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.817, "herg": 0.318, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.355928936469387, "aff_pf": -0.4549983541170756, "aff_hs": 0.3524080018202464, "repeats_pf": {"runs": 3, "values": [-0.4395, -0.4673, -0.4581], "mean": -0.455, "spread": 0.0278}, "repeats_hs": {"runs": 3, "values": [0.3931, 0.3525, 0.3117], "mean": 0.3524, "spread": 0.0814}, "at": 1789892210}, "tier": 1, "alerts": [], "total_sd": 0.172, "total_ci95": [34.748, 35.444], "relegate_reason": [], "submitted_at": 1789687080, "scored_at": 1789892210, "rank": 3581}, {"candidate_id": "ODC-38BA4E", "res_at": 1788760974, "skeleton": "QQVNZSPYFQAYSS", "hf_user": "Bio-JS", "display_name": "0906-S1-01 SCHF2/CN/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)c1Cl", "total": 35.124, "axes": {"activity": 16.43, "binding": 8.49, "selectivity": 1.16, "admet": 3.14, "novelty": 3.81, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 6.27, "LE": 0.318, "potency_term": 0.425, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.425}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.588, "ld50-zhu": 0.584, "herg": 0.286, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 5.585605954989163, "aff_pf": -0.27410082519054413, "aff_hs": -0.001046280066172282, "repeats_pf": {"runs": 3, "values": [-0.2531, -0.2451, -0.3241], "mean": -0.2741, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [0.06, -0.0643, 0.0012], "mean": -0.001, "spread": 0.1243}, "at": 1788760974}, "tier": 1, "alerts": [], "total_sd": 0.256, "total_ci95": [34.643, 35.617], "relegate_reason": [], "submitted_at": 1788665844, "scored_at": 1788760974, "rank": 3582}, {"candidate_id": "ODC-CB0195", "res_at": 1786983771, "skeleton": "USJANSDIAKVJKR", "hf_user": "1Dmeds", "display_name": "ODC26-R7A-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1I", "total": 35.117, "axes": {"activity": 8.92, "binding": 11.76, "selectivity": 4.76, "admet": 3.51, "novelty": 3.55, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 6.76, "LE": 0.403, "potency_term": 0.588, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.405, "target_engagement": 0.588}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.655, "ld50-zhu": 0.405, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.135412697771282, "aff_pf": -0.7641843358675638, "aff_hs": 0.046008060375849404, "repeats_pf": {"runs": 3, "values": [-0.7731, -0.7494, -0.7701], "mean": -0.7642, "spread": 0.0237}, "repeats_hs": {"runs": 3, "values": [-0.0001, 0.0027, 0.1354], "mean": 0.046, "spread": 0.1355}, "at": 1786983771}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979584, "scored_at": 1786983771, "alerts": [], "rank": 3583}, {"candidate_id": "ODC-6BB54E", "res_at": 1789567375, "skeleton": "CBQUTPKQCUYRAR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········F)c1C", "total": 35.114, "axes": {"activity": 15.65, "binding": 9.76, "selectivity": 1.54, "admet": 3.22, "novelty": 3.62, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 6.6, "LE": 0.274, "potency_term": 0.534, "efficiency_cap": 0.914}, "selectivity": {"fold": 1.9, "selectivity_term": 0.145, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.351, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.499, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.687, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 4.22}}, "run": {"gpu": "0", "pAct_q10": 5.538859121213878, "aff_pf": -0.60191610455513, "aff_hs": -0.31259891390800476, "repeats_pf": {"runs": 3, "values": [-0.7059, -0.4308, -0.6691], "mean": -0.6019, "spread": 0.2751}, "repeats_hs": {"runs": 3, "values": [-0.3729, -0.3056, -0.2594], "mean": -0.3126, "spread": 0.1135}, "at": 1789567375}, "tier": 1, "alerts": [], "total_sd": 0.997, "total_ci95": [32.865, 36.698], "relegate_reason": [], "submitted_at": 1789567187, "scored_at": 1789567375, "rank": 3584}, {"candidate_id": "ODC-603065", "res_at": 1787582225, "skeleton": "JKGWVYBUVVJNGM", "hf_user": "takutoyo", "display_name": "PfD17-01", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 35.104, "axes": {"activity": 19.39, "binding": 7.03, "selectivity": 0.0, "admet": 2.22, "novelty": 4.34, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.763, "fraction": 0.646}, "binding": {"pIC50": 6.32, "LE": 0.24, "potency_term": 0.439, "efficiency_cap": 0.801}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.439}, "admet": {"geometric_mean": 0.229, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.06, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.7634685354596185, "aff_pf": -0.3166961471239726, "aff_hs": -0.7154268225034078, "repeats_pf": {"runs": 3, "values": [-0.4342, -0.155, -0.3609], "mean": -0.3167, "spread": 0.2793}, "repeats_hs": {"runs": 3, "values": [-0.6069, -0.7597, -0.7797], "mean": -0.7154, "spread": 0.1727}, "at": 1787582225}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581633, "scored_at": 1787582225, "alerts": [], "rank": 3585}, {"candidate_id": "ODC-405923", "res_at": 1788085444, "skeleton": "PPGCYZCAGYDINZ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 35.093, "axes": {"activity": 13.37, "binding": 11.12, "selectivity": 4.07, "admet": 3.68, "novelty": 1.18, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.402, "fraction": 0.446}, "binding": {"pIC50": 6.78, "LE": 0.281, "potency_term": 0.593, "efficiency_cap": 0.938}, "selectivity": {"fold": 4.9, "selectivity_term": 0.343, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.787, "novelty": 0.213}, "synthesis": {"sa_score": 3.9}}, "run": {"gpu": "0", "pAct_q10": 5.402408186604454, "aff_pf": -0.7782494227091471, "aff_hs": -0.0919073075056076, "repeats_pf": {"runs": 3, "values": [-0.82, -0.7571, -0.7576], "mean": -0.7782, "spread": 0.0629}, "repeats_hs": {"runs": 3, "values": [-0.0335, -0.1123, -0.1299], "mean": -0.0919, "spread": 0.0964}, "at": 1788085444}, "tier": 1, "alerts": [], "total_sd": 0.375, "total_ci95": [34.475, 35.876], "relegate_reason": [], "submitted_at": 1788078669, "scored_at": 1788085444, "rank": 3586}, {"candidate_id": "ODC-8A3682", "res_at": 1786967223, "skeleton": "NJIZTXLHUPXTQZ", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 35.092, "axes": {"activity": 13.63, "binding": 10.65, "selectivity": 1.79, "admet": 3.44, "novelty": 3.14, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.454}, "binding": {"pIC50": 6.6, "LE": 0.411, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.429, "herg": 0.147, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.417789742816466, "aff_pf": -0.5979601542154948, "aff_hs": -0.2625373651583989, "repeats_pf": {"runs": 3, "values": [-0.6572, -0.5322, -0.6045], "mean": -0.598, "spread": 0.1251}, "repeats_hs": {"runs": 3, "values": [-0.3288, -0.2152, -0.2436], "mean": -0.2625, "spread": 0.1136}, "at": 1786967223}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966863, "scored_at": 1786967223, "alerts": [], "rank": 3587}, {"candidate_id": "ODC-E93311", "res_at": 1787024028, "skeleton": "CBWOLGAPSBKEQM", "hf_user": "takutoyo", "display_name": "PfD5-A4", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 35.081, "axes": {"activity": 20.75, "binding": 3.75, "selectivity": 0.0, "admet": 2.76, "novelty": 4.77, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.845, "fraction": 0.692}, "binding": {"pIC50": 5.67, "LE": 0.251, "potency_term": 0.224, "efficiency_cap": 0.836}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.224}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.892, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.8449745297173985, "aff_pf": 0.3274734119574229, "aff_hs": 0.03756175438563029, "repeats_pf": {"runs": 3, "values": [0.3543, 0.2469, 0.3812], "mean": 0.3275, "spread": 0.1343}, "repeats_hs": {"runs": 3, "values": [0.5275, -0.1915, -0.2233], "mean": 0.0376, "spread": 0.7508}, "at": 1787024028}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023044, "scored_at": 1787024028, "alerts": [], "rank": 3588}, {"candidate_id": "ODC-BD4A82", "res_at": 1786948671, "skeleton": "DXCMSGBRSOMDPS", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 35.077, "axes": {"activity": 16.1, "binding": 10.47, "selectivity": 2.32, "admet": 3.03, "novelty": 1.34, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.566, "fraction": 0.537}, "binding": {"pIC50": 6.57, "LE": 0.31, "potency_term": 0.524, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.221, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.372, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.75, "novelty": 0.25}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "2", "pAct_q10": 5.565766771478937, "aff_pf": -0.571169396241506, "aff_hs": -0.12856941670179367, "repeats_pf": {"runs": 3, "values": [-0.5537, -0.6072, -0.5526], "mean": -0.5712, "spread": 0.0546}, "repeats_hs": {"runs": 3, "values": [-0.0989, -0.1135, -0.1733], "mean": -0.1286, "spread": 0.0745}, "at": 1786948671}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937523, "scored_at": 1786948671, "alerts": [], "rank": 3589}, {"candidate_id": "ODC-24ADB5", "res_at": 1787040175, "skeleton": "WWNUDCATKYSSNF", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 35.062, "axes": {"activity": 14.86, "binding": 9.43, "selectivity": 3.5, "admet": 1.68, "novelty": 3.32, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.491, "fraction": 0.495}, "binding": {"pIC50": 6.44, "LE": 0.294, "potency_term": 0.481, "efficiency_cap": 0.981}, "selectivity": {"fold": 5.4, "selectivity_term": 0.364, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.226, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.349, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.107}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.491302469080814, "aff_pf": -0.4422503709793091, "aff_hs": 0.28628430763880414, "repeats_pf": {"runs": 3, "values": [-0.4041, -0.3493, -0.5734], "mean": -0.4423, "spread": 0.2241}, "repeats_hs": {"runs": 3, "values": [0.2555, 0.2609, 0.3424], "mean": 0.2863, "spread": 0.087}, "at": 1787040175}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035866, "scored_at": 1787040175, "alerts": [], "rank": 3590}, {"candidate_id": "ODC-982D79", "res_at": 1787506023, "skeleton": "WVTCGZKHMRISBI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 35.054, "axes": {"activity": 16.05, "binding": 6.31, "selectivity": 4.22, "admet": 2.5, "novelty": 3.59, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.563, "fraction": 0.535}, "binding": {"pIC50": 6.29, "LE": 0.221, "potency_term": 0.428, "efficiency_cap": 0.736}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.5629875196337455, "aff_pf": -0.28543107708295185, "aff_hs": 0.7004490296045939, "repeats_pf": {"runs": 3, "values": [-0.2769, -0.2803, -0.2992], "mean": -0.2854, "spread": 0.0223}, "repeats_hs": {"runs": 3, "values": [0.863, 0.6075, 0.6309], "mean": 0.7004, "spread": 0.2554}, "at": 1787506023}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497965, "scored_at": 1787506023, "alerts": [], "rank": 3591}, {"candidate_id": "ODC-FA3CD7", "res_at": 1789890328, "skeleton": "ZSCHXVVHIWAXID", "hf_user": "Bio-JS", "display_name": "0918-S1-div08", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 35.05, "axes": {"activity": 18.09, "binding": 5.4, "selectivity": 0.35, "admet": 4.75, "novelty": 3.82, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.685, "fraction": 0.603}, "binding": {"pIC50": 5.81, "LE": 0.346, "potency_term": 0.27, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.065, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.631, "cyp3a4-substrate-carbonmangels": 0.45, "ld50-zhu": 0.462, "herg": 0.277, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.685309262498278, "aff_pf": 0.1900142723073562, "aff_hs": 0.32056879500548047, "repeats_pf": {"runs": 3, "values": [0.3959, 0.1642, 0.0099], "mean": 0.19, "spread": 0.386}, "repeats_hs": {"runs": 3, "values": [0.4471, 0.4245, 0.0902], "mean": 0.3206, "spread": 0.3569}, "at": 1789890328}, "tier": 1, "alerts": [], "total_sd": 0.957, "total_ci95": [33.325, 36.949], "relegate_reason": [], "submitted_at": 1789687027, "scored_at": 1789890328, "rank": 3592}, {"candidate_id": "ODC-A3F9B6", "res_at": 1787068718, "skeleton": "VVTYBWPFRYHPNK", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LA09", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········)n2n1", "total": 35.028, "axes": {"activity": 13.76, "binding": 9.1, "selectivity": 5.4, "admet": 1.91, "novelty": 2.91, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 6.4, "LE": 0.292, "potency_term": 0.467, "efficiency_cap": 0.974}, "selectivity": {"fold": 14.3, "selectivity_term": 0.578, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.652, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.425837901446588, "aff_pf": -0.400368591149648, "aff_hs": 0.7554594675699869, "repeats_pf": {"runs": 3, "values": [-0.4499, -0.2779, -0.4733], "mean": -0.4004, "spread": 0.1955}, "repeats_hs": {"runs": 3, "values": [0.757, 0.7197, 0.7897], "mean": 0.7555, "spread": 0.0699}, "at": 1787068718}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064697, "scored_at": 1787068718, "alerts": [], "rank": 3593}, {"candidate_id": "ODC-93DE92", "res_at": 1787155400, "skeleton": "FGZDLBLRNLMKCH", "hf_user": "takutoyo", "display_name": "PfD8-B3", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 35.025, "axes": {"activity": 15.58, "binding": 7.43, "selectivity": 4.23, "admet": 2.76, "novelty": 2.76, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.519}, "binding": {"pIC50": 6.12, "LE": 0.349, "potency_term": 0.372, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.569, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.534616274934616, "aff_pf": -0.11524221797784169, "aff_hs": 1.022817571957906, "repeats_pf": {"runs": 3, "values": [-0.2586, -0.1179, 0.0307], "mean": -0.1152, "spread": 0.2893}, "repeats_hs": {"runs": 3, "values": [1.112, 0.9144, 1.0421], "mean": 1.0228, "spread": 0.1977}, "at": 1787155400}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148085, "scored_at": 1787155400, "alerts": [], "rank": 3594}, {"candidate_id": "ODC-5D5973", "res_at": 1789291207, "skeleton": "MBHOXJJQQDZDSD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········C(F)F", "total": 35.007, "axes": {"activity": 17.17, "binding": 5.24, "selectivity": 2.48, "admet": 3.73, "novelty": 4.21, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.63, "fraction": 0.572}, "binding": {"pIC50": 5.83, "LE": 0.285, "potency_term": 0.276, "efficiency_cap": 0.95}, "selectivity": {"fold": 7.9, "selectivity_term": 0.45, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.856, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.604, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.630169084105225, "aff_pf": 0.1727368434270223, "aff_hs": 1.0725538730621338, "repeats_pf": {"runs": 3, "values": [0.2558, 0.1241, 0.1383], "mean": 0.1727, "spread": 0.1317}, "repeats_hs": {"runs": 3, "values": [1.2172, 0.9333, 1.0672], "mean": 1.0726, "spread": 0.2838}, "at": 1789291207}, "tier": 1, "alerts": [], "total_sd": 0.484, "total_ci95": [34.069, 35.796], "relegate_reason": [], "submitted_at": 1789290578, "scored_at": 1789291207, "rank": 3595}, {"candidate_id": "ODC-AA0F7E", "res_at": 1789518442, "skeleton": "YNTIZXMEUFFZLF", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(F)··········)n2n1", "total": 35.0, "axes": {"activity": 14.25, "binding": 9.45, "selectivity": 4.45, "admet": 2.63, "novelty": 2.82, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 6.52, "LE": 0.279, "potency_term": 0.508, "efficiency_cap": 0.931}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.508}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.107, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.706, "ld50-zhu": 0.978, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.93}}, "run": {"gpu": "0", "pAct_q10": 5.4549760404602035, "aff_pf": -0.5227893988291422, "aff_hs": 0.3533742427825928, "repeats_pf": {"runs": 3, "values": [-0.4064, -0.5368, -0.6252], "mean": -0.5228, "spread": 0.2188}, "repeats_hs": {"runs": 3, "values": [0.4562, 0.2809, 0.323], "mean": 0.3534, "spread": 0.1753}, "at": 1789518442}, "tier": 1, "alerts": [], "total_sd": 0.976, "total_ci95": [33.532, 37.082], "relegate_reason": [], "submitted_at": 1789517725, "scored_at": 1789518442, "rank": 3596}, {"candidate_id": "ODC-1FCC82", "res_at": 1788089298, "skeleton": "HRDKZPSBLBJWBA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.999, "axes": {"activity": 12.59, "binding": 10.71, "selectivity": 3.28, "admet": 3.26, "novelty": 2.72, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 6.61, "LE": 0.335, "potency_term": 0.535, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.535}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.948, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.848, "ld50-zhu": 0.639, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.3556475613696435, "aff_pf": -0.606005330880483, "aff_hs": 0.007139980792999268, "repeats_pf": {"runs": 3, "values": [-0.6161, -0.5575, -0.6444], "mean": -0.606, "spread": 0.0869}, "repeats_hs": {"runs": 3, "values": [0.008, -0.0107, 0.0242], "mean": 0.0071, "spread": 0.0349}, "at": 1788089298}, "tier": 1, "alerts": [], "total_sd": 0.388, "total_ci95": [34.348, 35.681], "relegate_reason": [], "submitted_at": 1788080491, "scored_at": 1788089298, "rank": 3597}, {"candidate_id": "ODC-F191ED", "res_at": 1789302032, "skeleton": "RAASIHPDSIFZKE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········Cl)c1", "total": 34.996, "axes": {"activity": 19.56, "binding": 5.07, "selectivity": 0.0, "admet": 3.41, "novelty": 3.75, "synthesis": 3.21}, "detail": {"activity": {"pAct_q10": 5.773, "fraction": 0.652}, "binding": {"pIC50": 5.95, "LE": 0.24, "potency_term": 0.317, "efficiency_cap": 0.799}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 0.85, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.691, "cyp3a4-substrate-carbonmangels": 0.653, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.266}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.773370174020703, "aff_pf": 0.0491791566212972, "aff_hs": -0.41222962737083435, "repeats_pf": {"runs": 3, "values": [0.0847, 0.0841, -0.0212], "mean": 0.0492, "spread": 0.1059}, "repeats_hs": {"runs": 3, "values": [-0.5411, -0.1947, -0.5008], "mean": -0.4122, "spread": 0.3464}, "at": 1789302032}, "tier": 1, "alerts": [], "total_sd": 0.175, "total_ci95": [34.778, 35.436], "relegate_reason": [], "submitted_at": 1789298844, "scored_at": 1789302032, "rank": 3598}, {"candidate_id": "ODC-10FBAA", "res_at": 1789048408, "skeleton": "OVKNUKABTAZBIP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 34.987, "axes": {"activity": 10.61, "binding": 12.73, "selectivity": 1.8, "admet": 4.3, "novelty": 2.68, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.354}, "binding": {"pIC50": 6.91, "LE": 0.379, "potency_term": 0.637, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.637}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.14, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.236407096961798, "aff_pf": -0.9100457827250162, "aff_hs": -0.6270869771639506, "repeats_pf": {"runs": 3, "values": [-0.8475, -0.9234, -0.9592], "mean": -0.91, "spread": 0.1117}, "repeats_hs": {"runs": 3, "values": [-0.6292, -0.5929, -0.6592], "mean": -0.6271, "spread": 0.0663}, "at": 1789048408}, "tier": 1, "alerts": [], "total_sd": 0.562, "total_ci95": [33.742, 36.001], "relegate_reason": [], "submitted_at": 1789040679, "scored_at": 1789048408, "rank": 3599}, {"candidate_id": "ODC-7C1DED", "res_at": 1789909207, "skeleton": "OQKJHXWTGNONNE", "hf_user": "Bio-JS", "display_name": "0918-S1-div22", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········C(F)F", "total": 34.964, "axes": {"activity": 17.71, "binding": 6.43, "selectivity": 0.89, "admet": 3.55, "novelty": 3.96, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.59}, "binding": {"pIC50": 5.99, "LE": 0.293, "potency_term": 0.329, "efficiency_cap": 0.977}, "selectivity": {"fold": 1.9, "selectivity_term": 0.136, "target_engagement": 0.329}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.819, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.66253072987201, "aff_pf": 0.011915842692057291, "aff_hs": 0.2832990487416585, "repeats_pf": {"runs": 3, "values": [0.0678, 0.2453, -0.2773], "mean": 0.0119, "spread": 0.5225}, "repeats_hs": {"runs": 3, "values": [0.4101, 0.0511, 0.3887], "mean": 0.2833, "spread": 0.359}, "at": 1789909207}, "tier": 1, "alerts": [], "total_sd": 1.367, "total_ci95": [32.782, 38.06], "relegate_reason": [], "submitted_at": 1789687068, "scored_at": 1789909207, "rank": 3600}, {"candidate_id": "ODC-E415EC", "res_at": 1786957254, "skeleton": "ODQKNQBCKSNXPG", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.945, "axes": {"activity": 9.84, "binding": 11.98, "selectivity": 4.32, "admet": 3.85, "novelty": 2.07, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 6.8, "LE": 0.372, "potency_term": 0.599, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.361, "target_engagement": 0.599}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.636, "cyp3a4-substrate-carbonmangels": 0.095, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "2", "pAct_q10": 5.1902482303825765, "aff_pf": -0.7973928848902384, "aff_hs": -0.07628436883290608, "repeats_pf": {"runs": 3, "values": [-0.8129, -0.6929, -0.8863], "mean": -0.7974, "spread": 0.1934}, "repeats_hs": {"runs": 3, "values": [-0.0959, -0.0911, -0.0418], "mean": -0.0763, "spread": 0.0541}, "at": 1786957254}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956457, "scored_at": 1786957254, "alerts": [], "rank": 3601}, {"candidate_id": "ODC-175730", "res_at": 1787564687, "skeleton": "MEYWYYGGXJALBZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 34.941, "axes": {"activity": 15.29, "binding": 8.41, "selectivity": 1.81, "admet": 4.29, "novelty": 3.74, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.517, "fraction": 0.51}, "binding": {"pIC50": 6.26, "LE": 0.306, "potency_term": 0.42, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.215, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.84, "cyp2c9-veith": 0.854, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "3", "pAct_q10": 5.517400356931283, "aff_pf": -0.2610967506965001, "aff_hs": 0.1697616825501124, "repeats_pf": {"runs": 3, "values": [-0.2777, -0.2268, -0.2788], "mean": -0.2611, "spread": 0.052}, "repeats_hs": {"runs": 3, "values": [0.0465, 0.2189, 0.2438], "mean": 0.1698, "spread": 0.1973}, "at": 1787564687}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556899, "scored_at": 1787564687, "alerts": [], "rank": 3602}, {"candidate_id": "ODC-4B8E90", "res_at": 1787384236, "skeleton": "LBZRCAXXMDWKDU", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)cc12", "total": 34.933, "axes": {"activity": 19.71, "binding": 4.93, "selectivity": 0.0, "admet": 2.96, "novelty": 4.68, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.783, "fraction": 0.657}, "binding": {"pIC50": 5.95, "LE": 0.233, "potency_term": 0.317, "efficiency_cap": 0.777}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.7827914858988665, "aff_pf": 0.0478053092956543, "aff_hs": 0.04929472009340922, "repeats_pf": {"runs": 3, "values": [0.0396, 0.0432, 0.0605], "mean": 0.0478, "spread": 0.0209}, "repeats_hs": {"runs": 3, "values": [-0.0991, 0.0641, 0.1829], "mean": 0.0493, "spread": 0.282}, "at": 1787384236}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383153, "scored_at": 1787384236, "alerts": [], "rank": 3603}, {"candidate_id": "ODC-FC9E8E", "res_at": 1787207261, "skeleton": "HFQSRDBNANEYNN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 34.927, "axes": {"activity": 15.91, "binding": 7.67, "selectivity": 2.47, "admet": 2.84, "novelty": 3.51, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 6.35, "LE": 0.256, "potency_term": 0.45, "efficiency_cap": 0.853}, "selectivity": {"fold": 3.5, "selectivity_term": 0.275, "target_engagement": 0.45}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.478, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.859, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.554462227749327, "aff_pf": -0.3494524558385213, "aff_hs": 0.199550191561381, "repeats_pf": {"runs": 3, "values": [-0.5917, -0.5762, 0.1196], "mean": -0.3495, "spread": 0.7112}, "repeats_hs": {"runs": 3, "values": [0.4031, 0.0481, 0.1474], "mean": 0.1996, "spread": 0.355}, "at": 1787207261}, "tier": 1, "relegate_reason": [], "submitted_at": 1787202851, "scored_at": 1787207261, "alerts": [], "rank": 3604}, {"candidate_id": "ODC-E3DF29", "res_at": 1787012976, "skeleton": "QUNLRCDJDKQYQT", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 34.919, "axes": {"activity": 21.97, "binding": 1.32, "selectivity": 0.0, "admet": 3.57, "novelty": 4.88, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.918, "fraction": 0.732}, "binding": {"pIC50": 4.99, "LE": 0.201, "potency_term": 0.098, "efficiency_cap": 0.671}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 0.628, "pgp-broccatelli": 0.23, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.333, "ld50-zhu": 0.767, "herg": 0.05, "dili": 0.531}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.918167781444586, "aff_pf": 1.0073995391527812, "aff_hs": 0.7326630155245463, "repeats_pf": {"runs": 3, "values": [1.0926, 0.8397, 1.0899], "mean": 1.0074, "spread": 0.2529}, "repeats_hs": {"runs": 3, "values": [0.4708, 0.8703, 0.8569], "mean": 0.7327, "spread": 0.3995}, "at": 1787012976}, "tier": 1, "relegate_reason": [], "submitted_at": 1787012592, "scored_at": 1787012976, "alerts": [], "rank": 3605}, {"candidate_id": "ODC-B73441", "res_at": 1789584709, "skeleton": "WGCJAWFLXCVLFF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.918, "axes": {"activity": 14.84, "binding": 9.38, "selectivity": 3.77, "admet": 1.68, "novelty": 3.47, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.491, "fraction": 0.495}, "binding": {"pIC50": 6.66, "LE": 0.254, "potency_term": 0.555, "efficiency_cap": 0.845}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.555}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.875, "herg": 0.05, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 5.490567582072147, "aff_pf": -0.6639944513638815, "aff_hs": 0.01517802228530248, "repeats_pf": {"runs": 3, "values": [-0.7814, -0.6713, -0.5392], "mean": -0.664, "spread": 0.2422}, "repeats_hs": {"runs": 3, "values": [0.0496, -0.0022, -0.002], "mean": 0.0152, "spread": 0.0518}, "at": 1789584709}, "tier": 1, "alerts": [], "total_sd": 0.887, "total_ci95": [33.218, 36.945], "relegate_reason": [], "submitted_at": 1789571941, "scored_at": 1789584709, "rank": 3606}, {"candidate_id": "ODC-FA15D8", "res_at": 1787133967, "skeleton": "RCVYHSIPVGKMRQ", "hf_user": "epicsaga", "display_name": "PFD4-02", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········[nH]1", "total": 34.91, "axes": {"activity": 16.12, "binding": 10.22, "selectivity": 0.0, "admet": 3.34, "novelty": 2.69, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.567, "fraction": 0.537}, "binding": {"pIC50": 6.62, "LE": 0.283, "potency_term": 0.541, "efficiency_cap": 0.945}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.541}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.859, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.567081011798453, "aff_pf": -0.6216384669144949, "aff_hs": -0.9489900469779968, "repeats_pf": {"runs": 3, "values": [-0.4568, -0.7966, -0.6115], "mean": -0.6216, "spread": 0.3398}, "repeats_hs": {"runs": 3, "values": [-0.7339, -1.1343, -0.9787], "mean": -0.949, "spread": 0.4005}, "at": 1787133967}, "tier": 1, "relegate_reason": [], "submitted_at": 1787126986, "scored_at": 1787133967, "alerts": [], "rank": 3607}, {"candidate_id": "ODC-12D554", "res_at": 1786899022, "skeleton": "SNSLOTXSCHXKRC", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 34.909, "axes": {"activity": 14.78, "binding": 11.41, "selectivity": 2.26, "admet": 3.36, "novelty": 1.06, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 6.71, "LE": 0.328, "potency_term": 0.57, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.78, "herg": 0.092, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.814, "novelty": 0.186}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.486843227804366, "aff_pf": -0.7113449772198995, "aff_hs": -0.31432772676150006, "repeats_pf": {"runs": 3, "values": [-0.6976, -0.6967, -0.7397], "mean": -0.7113, "spread": 0.043}, "repeats_hs": {"runs": 3, "values": [-0.2383, -0.324, -0.3806], "mean": -0.3143, "spread": 0.1423}, "at": 1786899022}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886470, "scored_at": 1786899022, "alerts": [], "rank": 3608}, {"candidate_id": "ODC-5C0A62", "res_at": 1789874150, "skeleton": "VOJQSVRSHUFCGO", "hf_user": "Bio-JS", "display_name": "0917-S1-div08", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 34.909, "axes": {"activity": 15.08, "binding": 9.25, "selectivity": 2.78, "admet": 3.06, "novelty": 2.47, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 6.39, "LE": 0.365, "potency_term": 0.463, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.317, "herg": 0.157, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.5046237067653605, "aff_pf": -0.3880203068256378, "aff_hs": 0.2121914066374302, "repeats_pf": {"runs": 3, "values": [-0.3693, -0.4466, -0.3481], "mean": -0.388, "spread": 0.0985}, "repeats_hs": {"runs": 3, "values": [0.3584, 0.2394, 0.0388], "mean": 0.2122, "spread": 0.3197}, "at": 1789874150}, "tier": 1, "alerts": [], "total_sd": 0.486, "total_ci95": [33.905, 36.041], "relegate_reason": [], "submitted_at": 1789628576, "scored_at": 1789874150, "rank": 3609}, {"candidate_id": "ODC-064EDC", "res_at": 1788964112, "skeleton": "NIIOBKLRXZFGHD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 34.901, "axes": {"activity": 9.74, "binding": 11.64, "selectivity": 4.6, "admet": 3.66, "novelty": 2.51, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.184, "fraction": 0.325}, "binding": {"pIC50": 6.75, "LE": 0.355, "potency_term": 0.582, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.395, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.376, "cyp2c9-veith": 0.344, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.187}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.184391064574249, "aff_pf": -0.7457266449928284, "aff_hs": 0.04412296414375305, "repeats_pf": {"runs": 3, "values": [-0.7978, -0.7896, -0.6498], "mean": -0.7457, "spread": 0.148}, "repeats_hs": {"runs": 3, "values": [0.057, -0.0221, 0.0975], "mean": 0.0441, "spread": 0.1196}, "at": 1788964112}, "tier": 1, "alerts": [], "total_sd": 0.828, "total_ci95": [33.065, 36.089], "relegate_reason": [], "submitted_at": 1788963090, "scored_at": 1788964112, "rank": 3610}, {"candidate_id": "ODC-97326A", "res_at": 1789594927, "skeleton": "JERVXUHYCJJIQF", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········)(F)F", "total": 34.883, "axes": {"activity": 16.0, "binding": 10.52, "selectivity": 0.0, "admet": 3.31, "novelty": 3.76, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.533}, "binding": {"pIC50": 6.7, "LE": 0.278, "potency_term": 0.567, "efficiency_cap": 0.927}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.597, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.995, "ld50-zhu": 0.705, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 4.31}}, "run": {"gpu": "0", "pAct_q10": 5.56012134049703, "aff_pf": -0.7012859384218851, "aff_hs": -0.7167536815007528, "repeats_pf": {"runs": 3, "values": [-0.7183, -0.7284, -0.6571], "mean": -0.7013, "spread": 0.0713}, "repeats_hs": {"runs": 3, "values": [-0.7171, -0.7588, -0.6743], "mean": -0.7168, "spread": 0.0845}, "at": 1789594927}, "tier": 1, "alerts": [], "total_sd": 0.164, "total_ci95": [34.699, 35.304], "relegate_reason": [], "submitted_at": 1789594545, "scored_at": 1789594927, "rank": 3611}, {"candidate_id": "ODC-2FFA2A", "res_at": 1786838364, "skeleton": "ZCNKHSSENNJLNU", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 34.87, "axes": {"activity": 14.25, "binding": 10.95, "selectivity": 0.98, "admet": 3.7, "novelty": 2.52, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 6.64, "LE": 0.364, "potency_term": 0.547, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.09, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.48, "herg": 0.123, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.454847674190619, "aff_pf": -0.6421485344568888, "aff_hs": -0.46245699127515155, "repeats_pf": {"runs": 3, "values": [-0.7001, -0.5508, -0.6756], "mean": -0.6421, "spread": 0.1493}, "repeats_hs": {"runs": 3, "values": [-0.4992, -0.4644, -0.4237], "mean": -0.4625, "spread": 0.0755}, "at": 1786838364}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805237, "scored_at": 1786838364, "alerts": [], "rank": 3612}, {"candidate_id": "ODC-B57680", "res_at": 1787384429, "skeleton": "KBPRIWRXVOWCMA", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········3)cc1", "total": 34.869, "axes": {"activity": 20.09, "binding": 4.38, "selectivity": 0.0, "admet": 3.16, "novelty": 4.44, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.806, "fraction": 0.67}, "binding": {"pIC50": 5.9, "LE": 0.219, "potency_term": 0.301, "efficiency_cap": 0.728}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.301}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.585, "ld50-zhu": 0.588, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.805503587818076, "aff_pf": 0.09848437706629436, "aff_hs": -0.06429723898569743, "repeats_pf": {"runs": 3, "values": [0.0962, 0.1047, 0.0946], "mean": 0.0985, "spread": 0.0101}, "repeats_hs": {"runs": 3, "values": [-0.1715, -0.0266, 0.0052], "mean": -0.0643, "spread": 0.1767}, "at": 1787384429}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383160, "scored_at": 1787384429, "alerts": [], "rank": 3613}, {"candidate_id": "ODC-083F6D", "res_at": 1786967401, "skeleton": "OAOVLGBKENRNRG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.866, "axes": {"activity": 11.68, "binding": 11.79, "selectivity": 2.03, "admet": 3.56, "novelty": 3.0, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.389}, "binding": {"pIC50": 6.77, "LE": 0.403, "potency_term": 0.59, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.172, "target_engagement": 0.59}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.957, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.75, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.561, "herg": 0.125, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.300660559315767, "aff_pf": -0.7690485715866089, "aff_hs": -0.4241948326428731, "repeats_pf": {"runs": 3, "values": [-0.7917, -0.7357, -0.7798], "mean": -0.769, "spread": 0.056}, "repeats_hs": {"runs": 3, "values": [-0.6055, -0.3022, -0.3648], "mean": -0.4242, "spread": 0.3033}, "at": 1786967401}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966877, "scored_at": 1786967401, "alerts": [], "rank": 3614}, {"candidate_id": "ODC-9D893B", "res_at": 1786982844, "skeleton": "PSGUZFNIDHNGTG", "hf_user": "1Dmeds", "display_name": "ODC26-R7D-16", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.864, "axes": {"activity": 12.02, "binding": 9.47, "selectivity": 5.43, "admet": 2.8, "novelty": 3.07, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.401}, "binding": {"pIC50": 6.42, "LE": 0.382, "potency_term": 0.474, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.0, "selectivity_term": 0.574, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.58, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.185, "ld50-zhu": 0.65, "herg": 0.084, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.321153583375793, "aff_pf": -0.4208294153213501, "aff_hs": 0.7266260782877604, "repeats_pf": {"runs": 3, "values": [-0.3753, -0.4693, -0.4179], "mean": -0.4208, "spread": 0.0939}, "repeats_hs": {"runs": 3, "values": [0.6578, 0.7684, 0.7537], "mean": 0.7266, "spread": 0.1106}, "at": 1786982844}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979516, "scored_at": 1786982844, "alerts": [], "rank": 3615}, {"candidate_id": "ODC-9218B6", "res_at": 1789289063, "skeleton": "LPDMUFVIGKFVOV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 34.855, "axes": {"activity": 18.1, "binding": 5.73, "selectivity": 0.56, "admet": 4.13, "novelty": 4.44, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.686, "fraction": 0.603}, "binding": {"pIC50": 5.98, "LE": 0.264, "potency_term": 0.325, "efficiency_cap": 0.88}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.325}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.32, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.775, "ld50-zhu": 0.761, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.686038145888321, "aff_pf": 0.024303148190180462, "aff_hs": 0.1972722907861074, "repeats_pf": {"runs": 3, "values": [-0.2187, 0.1061, 0.1854], "mean": 0.0243, "spread": 0.4041}, "repeats_hs": {"runs": 3, "values": [0.1895, 0.2232, 0.1791], "mean": 0.1973, "spread": 0.0442}, "at": 1789289063}, "tier": 1, "alerts": [], "total_sd": 1.055, "total_ci95": [33.457, 37.685], "relegate_reason": [], "submitted_at": 1789288592, "scored_at": 1789289063, "rank": 3616}, {"candidate_id": "ODC-9C7A3C", "res_at": 1789962637, "skeleton": "BZPVOJQVOPYMFT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 34.849, "axes": {"activity": 20.8, "binding": 4.94, "selectivity": 0.15, "admet": 2.64, "novelty": 2.85, "synthesis": 3.47}, "detail": {"activity": {"pAct_q10": 5.848, "fraction": 0.693}, "binding": {"pIC50": 6.0, "LE": 0.222, "potency_term": 0.334, "efficiency_cap": 0.741}, "selectivity": {"fold": 1.1, "selectivity_term": 0.023, "target_engagement": 0.334}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 0.334, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.824, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.247}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "2", "pAct_q10": 5.847945701108676, "aff_pf": -0.0006749903162320455, "aff_hs": 0.044433424870173134, "repeats_pf": {"runs": 3, "values": [-0.0178, 0.0121, 0.0036], "mean": -0.0007, "spread": 0.0299}, "repeats_hs": {"runs": 3, "values": [0.0191, 0.2725, -0.1584], "mean": 0.0444, "spread": 0.4309}, "at": 1789962637}, "tier": 1, "alerts": [], "total_sd": 0.239, "total_ci95": [34.641, 35.511], "relegate_reason": [], "submitted_at": 1789907225, "scored_at": 1789962637, "rank": 3617}, {"candidate_id": "ODC-5DB8C8", "res_at": 1789606853, "skeleton": "XKYGUQKATNPTKM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 34.845, "axes": {"activity": 13.29, "binding": 10.64, "selectivity": 2.42, "admet": 3.59, "novelty": 3.62, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.398, "fraction": 0.443}, "binding": {"pIC50": 6.72, "LE": 0.279, "potency_term": 0.572, "efficiency_cap": 0.93}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.572}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.991, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 4.3}}, "run": {"gpu": "0", "pAct_q10": 5.3976042127585036, "aff_pf": -0.7169810930887858, "aff_hs": -0.2945213218530019, "repeats_pf": {"runs": 3, "values": [-0.7229, -0.7677, -0.6603], "mean": -0.717, "spread": 0.1074}, "repeats_hs": {"runs": 3, "values": [-0.1976, -0.2081, -0.4778], "mean": -0.2945, "spread": 0.2802}, "at": 1789606853}, "tier": 1, "alerts": [], "total_sd": 0.729, "total_ci95": [33.491, 36.153], "relegate_reason": [], "submitted_at": 1789606662, "scored_at": 1789606853, "rank": 3618}, {"candidate_id": "ODC-CF0173", "res_at": 1787454024, "skeleton": "POLYRWJHOYPAFN", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1N=c2··········F)N1C", "total": 34.841, "axes": {"activity": 11.14, "binding": 12.02, "selectivity": 1.43, "admet": 5.25, "novelty": 3.47, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 6.8, "LE": 0.301, "potency_term": 0.601, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.601}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.666, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.83, "cyp2c9-veith": 0.7, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 4.2}}, "run": {"gpu": "3", "pAct_q10": 5.268440449123516, "aff_pf": -0.8023466269175211, "aff_hs": -0.5646756887435913, "repeats_pf": {"runs": 3, "values": [-0.7311, -0.8949, -0.781], "mean": -0.8023, "spread": 0.1639}, "repeats_hs": {"runs": 3, "values": [-0.4998, -0.6511, -0.5432], "mean": -0.5647, "spread": 0.1513}, "at": 1787454024}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453035, "scored_at": 1787454024, "alerts": [], "rank": 3619}, {"candidate_id": "ODC-B849A3", "res_at": 1787129811, "skeleton": "WSOJHCJFCBHFRS", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········)c1=O", "total": 34.832, "axes": {"activity": 20.21, "binding": 1.55, "selectivity": 0.18, "admet": 6.18, "novelty": 5.18, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.813, "fraction": 0.674}, "binding": {"pIC50": 5.23, "LE": 0.299, "potency_term": 0.078, "efficiency_cap": 0.996}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.972, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.791, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.555, "herg": 0.124, "dili": 0.75}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 4.41}}, "run": {"gpu": "3", "pAct_q10": 5.812722066841857, "aff_pf": 0.7669868866602579, "aff_hs": 1.0047699213027954, "repeats_pf": {"runs": 3, "values": [0.7361, 0.818, 0.7469], "mean": 0.767, "spread": 0.0819}, "repeats_hs": {"runs": 3, "values": [0.9702, 0.9749, 1.0692], "mean": 1.0048, "spread": 0.099}, "at": 1787129811}, "tier": 1, "relegate_reason": [], "submitted_at": 1787117206, "scored_at": 1787129811, "alerts": [], "rank": 3620}, {"candidate_id": "ODC-4EC45D", "res_at": 1788136391, "skeleton": "GHESNKJLUCSVPV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 34.832, "axes": {"activity": 18.39, "binding": 7.4, "selectivity": 0.0, "admet": 2.25, "novelty": 3.73, "synthesis": 3.06}, "detail": {"activity": {"pAct_q10": 5.703, "fraction": 0.613}, "binding": {"pIC50": 6.43, "LE": 0.232, "potency_term": 0.478, "efficiency_cap": 0.773}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.458, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "0", "pAct_q10": 5.703246251681285, "aff_pf": -0.4346514741579692, "aff_hs": -0.989753007888794, "repeats_pf": {"runs": 3, "values": [-0.5119, -0.3458, -0.4463], "mean": -0.4347, "spread": 0.166}, "repeats_hs": {"runs": 3, "values": [-1.0174, -1.0, -0.9518], "mean": -0.9898, "spread": 0.0656}, "at": 1788136391}, "tier": 1, "alerts": [], "total_sd": 0.259, "total_ci95": [34.278, 35.324], "relegate_reason": [], "submitted_at": 1788132592, "scored_at": 1788136391, "rank": 3621}, {"candidate_id": "ODC-1838E6", "res_at": 1789270288, "skeleton": "BVKFGCVWKROEKA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 34.83, "axes": {"activity": 14.58, "binding": 9.27, "selectivity": 4.29, "admet": 2.16, "novelty": 2.26, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 6.39, "LE": 0.365, "potency_term": 0.463, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.484, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.474552503195026, "aff_pf": -0.39010384678840637, "aff_hs": 0.5348286628723145, "repeats_pf": {"runs": 3, "values": [-0.373, -0.3292, -0.4681], "mean": -0.3901, "spread": 0.139}, "repeats_hs": {"runs": 3, "values": [0.5063, 0.591, 0.5072], "mean": 0.5348, "spread": 0.0848}, "at": 1789270288}, "tier": 1, "alerts": [], "total_sd": 0.523, "total_ci95": [34.045, 35.884], "relegate_reason": [], "submitted_at": 1789263781, "scored_at": 1789270288, "rank": 3622}, {"candidate_id": "ODC-3CBC87", "res_at": 1786932586, "skeleton": "QTWGEYYHMNOSGA", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 34.821, "axes": {"activity": 17.77, "binding": 5.56, "selectivity": 2.39, "admet": 2.74, "novelty": 3.7, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 5.95, "LE": 0.263, "potency_term": 0.317, "efficiency_cap": 0.877}, "selectivity": {"fold": 5.7, "selectivity_term": 0.378, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.168, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.372, "ld50-zhu": 0.706, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.666455225169245, "aff_pf": 0.04931082328160604, "aff_hs": 0.804447074731191, "repeats_pf": {"runs": 3, "values": [0.0414, -0.0121, 0.1187], "mean": 0.0493, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [0.6908, 0.7897, 0.9329], "mean": 0.8044, "spread": 0.242}, "at": 1786932586}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925685, "scored_at": 1786932586, "alerts": [], "rank": 3623}, {"candidate_id": "ODC-772F74", "res_at": 1788965676, "skeleton": "JWDUKCQCRPWAOE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.8, "axes": {"activity": 12.02, "binding": 11.14, "selectivity": 4.09, "admet": 2.83, "novelty": 2.15, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.401}, "binding": {"pIC50": 6.67, "LE": 0.338, "potency_term": 0.557, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.367, "target_engagement": 0.557}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.216, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.194}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.320920184781149, "aff_pf": -0.6709206104278564, "aff_hs": 0.0637374222278595, "repeats_pf": {"runs": 3, "values": [-0.6408, -0.7227, -0.6493], "mean": -0.6709, "spread": 0.082}, "repeats_hs": {"runs": 3, "values": [0.0508, 0.0789, 0.0615], "mean": 0.0637, "spread": 0.0282}, "at": 1788965676}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [34.224, 35.803], "relegate_reason": [], "submitted_at": 1788963454, "scored_at": 1788965676, "rank": 3624}, {"candidate_id": "ODC-8DDB11", "res_at": 1789996852, "skeleton": "GJRVZTHUOCVWNO", "hf_user": "Bio-JS", "display_name": "0921-S1-17", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.784, "axes": {"activity": 10.13, "binding": 9.51, "selectivity": 6.63, "admet": 3.79, "novelty": 2.46, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 6.43, "LE": 0.419, "potency_term": 0.476, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.171, "ld50-zhu": 0.419, "herg": 0.778, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "0", "pAct_q10": 5.207760429708162, "aff_pf": -0.42702043056488037, "aff_hs": 0.9671482046445211, "repeats_pf": {"runs": 3, "values": [-0.4383, -0.398, -0.4448], "mean": -0.427, "spread": 0.0469}, "repeats_hs": {"runs": 3, "values": [0.9545, 0.8333, 1.1136], "mean": 0.9671, "spread": 0.2803}, "at": 1789996852}, "tier": 1, "alerts": [], "total_sd": 0.409, "total_ci95": [34.001, 35.578], "relegate_reason": [], "submitted_at": 1789990262, "scored_at": 1789996852, "rank": 3625}, {"candidate_id": "ODC-2035FF", "res_at": 1787650706, "skeleton": "ZSKIHAHTSSMJME", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c([C··········C)CC1", "total": 34.78, "axes": {"activity": 12.58, "binding": 8.81, "selectivity": 5.91, "admet": 4.04, "novelty": 1.86, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.355, "fraction": 0.419}, "binding": {"pIC50": 6.32, "LE": 0.346, "potency_term": 0.44, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.9, "selectivity_term": 0.671, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.675, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.888, "herg": 0.275, "dili": 0.693}}, "novelty": {"max_tanimoto": 0.578, "novelty": 0.422}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.354771394771745, "aff_pf": -0.3210577666759491, "aff_hs": 1.0201557874679565, "repeats_pf": {"runs": 3, "values": [-0.3051, -0.3603, -0.2978], "mean": -0.3211, "spread": 0.0626}, "repeats_hs": {"runs": 3, "values": [0.9569, 1.1816, 0.922], "mean": 1.0202, "spread": 0.2596}, "at": 1787650706}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643690, "scored_at": 1787650706, "alerts": [], "rank": 3626}, {"candidate_id": "ODC-E15EDB", "res_at": 1787189345, "skeleton": "OKJYKLXLONNFOA", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc2[nH]cnc2cc1-c1ccc(S(=O)(=O)NCc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1", "smiles_masked": null, "total": 34.75, "axes": {"activity": 17.87, "binding": 7.87, "selectivity": 0.0, "admet": 2.57, "novelty": 3.49, "synthesis": 2.94}, "detail": {"activity": {"pAct_q10": 5.672, "fraction": 0.596}, "binding": {"pIC50": 6.51, "LE": 0.235, "potency_term": 0.503, "efficiency_cap": 0.782}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.503}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.521, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.67244984394763, "aff_pf": -0.509421169757843, "aff_hs": -0.6223709980646769, "repeats_pf": {"runs": 3, "values": [-0.5689, -0.4549, -0.5045], "mean": -0.5094, "spread": 0.114}, "repeats_hs": {"runs": 3, "values": [-0.6089, -0.6695, -0.5888], "mean": -0.6224, "spread": 0.0807}, "at": 1787189345}, "tier": 1, "relegate_reason": [], "submitted_at": 1787186654, "scored_at": 1787189345, "alerts": [], "rank": 3627}, {"candidate_id": "ODC-AA3ED0", "res_at": 1786932966, "skeleton": "CEOHXFOAJCHEER", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 34.745, "axes": {"activity": 17.14, "binding": 6.29, "selectivity": 2.64, "admet": 2.53, "novelty": 3.5, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 6.03, "LE": 0.275, "potency_term": 0.343, "efficiency_cap": 0.918}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.343}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.075, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.562, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.628432561027593, "aff_pf": -0.027845631043116253, "aff_hs": 0.7430482308069865, "repeats_pf": {"runs": 3, "values": [0.0658, -0.1944, 0.045], "mean": -0.0278, "spread": 0.2603}, "repeats_hs": {"runs": 3, "values": [0.7298, 0.7753, 0.724], "mean": 0.743, "spread": 0.0513}, "at": 1786932966}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925690, "scored_at": 1786932966, "alerts": [], "rank": 3628}, {"candidate_id": "ODC-BD2900", "res_at": 1786984004, "skeleton": "MIUGTGPNZXXIRO", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1c(C··········I)cc1", "total": 34.744, "axes": {"activity": 12.7, "binding": 8.74, "selectivity": 6.09, "admet": 2.69, "novelty": 2.45, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.362, "fraction": 0.423}, "binding": {"pIC50": 6.31, "LE": 0.393, "potency_term": 0.437, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.8, "selectivity_term": 0.697, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.825, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 0.253, "ld50-zhu": 0.309, "herg": 0.101, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 5.361757631879782, "aff_pf": -0.31080642342567444, "aff_hs": 1.0834777355194092, "repeats_pf": {"runs": 3, "values": [-0.2642, -0.2928, -0.3755], "mean": -0.3108, "spread": 0.1113}, "repeats_hs": {"runs": 3, "values": [1.073, 1.0635, 1.114], "mean": 1.0835, "spread": 0.0505}, "at": 1786984004}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979607, "scored_at": 1786984004, "alerts": [], "rank": 3629}, {"candidate_id": "ODC-11D578", "res_at": 1786934667, "skeleton": "ZMPVJAWCATVKKQ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.713, "axes": {"activity": 15.24, "binding": 9.04, "selectivity": 3.01, "admet": 2.29, "novelty": 2.66, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.514, "fraction": 0.508}, "binding": {"pIC50": 6.39, "LE": 0.292, "potency_term": 0.465, "efficiency_cap": 0.973}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.465}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.216, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.108, "ld50-zhu": 0.825, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "2", "pAct_q10": 5.5143440930420216, "aff_pf": -0.39393054445584613, "aff_hs": 0.254218727350235, "repeats_pf": {"runs": 3, "values": [-0.3936, -0.3184, -0.4698], "mean": -0.3939, "spread": 0.1515}, "repeats_hs": {"runs": 3, "values": [0.1454, 0.3625, 0.2547], "mean": 0.2542, "spread": 0.2171}, "at": 1786934667}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925678, "scored_at": 1786934667, "alerts": [], "rank": 3630}, {"candidate_id": "ODC-C7F7AA", "res_at": 1789623473, "skeleton": "XQIRZVYRZLPGFJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.698, "axes": {"activity": 12.6, "binding": 12.18, "selectivity": 0.67, "admet": 3.29, "novelty": 3.47, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 6.83, "LE": 0.36, "potency_term": 0.609, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.177, "ld50-zhu": 0.495, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.356254890509582, "aff_pf": -0.8274366656939188, "aff_hs": -0.7176822821299235, "repeats_pf": {"runs": 3, "values": [-0.8406, -0.8378, -0.8039], "mean": -0.8274, "spread": 0.0367}, "repeats_hs": {"runs": 3, "values": [-1.0004, -0.6224, -0.5303], "mean": -0.7177, "spread": 0.4701}, "at": 1789623473}, "tier": 1, "alerts": [], "total_sd": 0.636, "total_ci95": [33.897, 35.899], "relegate_reason": [], "submitted_at": 1789619296, "scored_at": 1789623473, "rank": 3631}, {"candidate_id": "ODC-34B1C4", "res_at": 1786937889, "skeleton": "HKEAEFSUKVUMNO", "hf_user": "1Dmeds", "display_name": "ODC26-R2V-06", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.681, "axes": {"activity": 12.13, "binding": 11.45, "selectivity": 3.52, "admet": 4.04, "novelty": 1.41, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.404}, "binding": {"pIC50": 6.72, "LE": 0.341, "potency_term": 0.573, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.348, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.568}}, "novelty": {"max_tanimoto": 0.754, "novelty": 0.246}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.327796524437346, "aff_pf": -0.7175614635149637, "aff_hs": -0.10313597818215688, "repeats_pf": {"runs": 3, "values": [-0.7102, -0.69, -0.7525], "mean": -0.7176, "spread": 0.0626}, "repeats_hs": {"runs": 3, "values": [-0.1081, -0.0588, -0.1425], "mean": -0.1031, "spread": 0.0837}, "at": 1786937889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930998, "scored_at": 1786937889, "alerts": [], "rank": 3632}, {"candidate_id": "ODC-D4DA45", "res_at": 1787027875, "skeleton": "CPPOECDJIUSWTN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.678, "axes": {"activity": 15.48, "binding": 7.73, "selectivity": 2.33, "admet": 3.74, "novelty": 3.08, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.529, "fraction": 0.516}, "binding": {"pIC50": 6.16, "LE": 0.384, "potency_term": 0.387, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.387}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.817, "cyp2c9-veith": 0.296, "cyp3a4-substrate-carbonmangels": 0.581, "ld50-zhu": 0.461, "herg": 0.169, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.528892723999116, "aff_pf": -0.16012887159983316, "aff_hs": 0.4433616101741791, "repeats_pf": {"runs": 3, "values": [-0.2934, -0.1602, -0.0268], "mean": -0.1601, "spread": 0.2666}, "repeats_hs": {"runs": 3, "values": [0.3742, 0.4308, 0.5251], "mean": 0.4434, "spread": 0.1509}, "at": 1787027875}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025257, "scored_at": 1787027875, "alerts": [], "rank": 3633}, {"candidate_id": "ODC-542EB2", "res_at": 1789119557, "skeleton": "UCIIHULPPBUDPV", "hf_user": "Bio-JS", "display_name": "0911-S1-5pos_C(=O)N", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.675, "axes": {"activity": 12.48, "binding": 9.51, "selectivity": 4.1, "admet": 4.02, "novelty": 2.45, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 6.43, "LE": 0.352, "potency_term": 0.476, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.558, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.216, "cyp3a4-substrate-carbonmangels": 0.965, "ld50-zhu": 0.465, "herg": 0.611, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.348882893241496, "aff_pf": -0.4267176290353139, "aff_hs": 0.43521873156229657, "repeats_pf": {"runs": 3, "values": [-0.3742, -0.4464, -0.4595], "mean": -0.4267, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [0.3791, 0.4293, 0.4972], "mean": 0.4352, "spread": 0.1181}, "at": 1789119557}, "tier": 1, "alerts": [], "total_sd": 0.446, "total_ci95": [33.838, 35.426], "relegate_reason": [], "submitted_at": 1789117028, "scored_at": 1789119557, "rank": 3634}, {"candidate_id": "ODC-B9DA22", "res_at": 1788967802, "skeleton": "PUBBGIUXWUFUCG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C1CC1", "total": 34.637, "axes": {"activity": 12.83, "binding": 11.9, "selectivity": 1.42, "admet": 3.33, "novelty": 2.38, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 6.78, "LE": 0.357, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.961, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.3698739678874166, "aff_pf": -0.7842655579249064, "aff_hs": -0.5459261139233907, "repeats_pf": {"runs": 3, "values": [-0.7598, -0.7265, -0.8665], "mean": -0.7843, "spread": 0.14}, "repeats_hs": {"runs": 3, "values": [-0.5052, -0.6809, -0.4516], "mean": -0.5459, "spread": 0.2293}, "at": 1788967802}, "tier": 1, "alerts": [], "total_sd": 0.741, "total_ci95": [33.354, 36.154], "relegate_reason": [], "submitted_at": 1788963982, "scored_at": 1788967802, "rank": 3635}, {"candidate_id": "ODC-3E17D5", "res_at": 1787726241, "skeleton": "FGNXJSZSFYNIEM", "hf_user": "Moonweave", "display_name": "M5AI-P12-ME-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········2cc1C", "total": 34.624, "axes": {"activity": 15.16, "binding": 11.35, "selectivity": 0.0, "admet": 2.07, "novelty": 3.45, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.505}, "binding": {"pIC50": 6.7, "LE": 0.306, "potency_term": 0.567, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.505, "herg": 0.05, "dili": 0.365}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.509736027823724, "aff_pf": -0.7021636168162028, "aff_hs": -1.0326372782389324, "repeats_pf": {"runs": 3, "values": [-0.6023, -0.8258, -0.6784], "mean": -0.7022, "spread": 0.2235}, "repeats_hs": {"runs": 3, "values": [-1.0539, -1.028, -1.0159], "mean": -1.0326, "spread": 0.038}, "at": 1787726241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726010, "scored_at": 1787726241, "alerts": [], "rank": 3636}, {"candidate_id": "ODC-319A09", "res_at": 1787137731, "skeleton": "KBDBWHQVCFJIKQ", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.622, "axes": {"activity": 11.6, "binding": 10.75, "selectivity": 3.49, "admet": 3.52, "novelty": 2.78, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.387}, "binding": {"pIC50": 6.61, "LE": 0.377, "potency_term": 0.538, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.324, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.689, "ld50-zhu": 0.579, "herg": 0.437, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.29572581352436, "aff_pf": -0.6130345861117045, "aff_hs": 0.03553826610247294, "repeats_pf": {"runs": 3, "values": [-0.6588, -0.662, -0.5183], "mean": -0.613, "spread": 0.1437}, "repeats_hs": {"runs": 3, "values": [-0.0384, 0.1587, -0.0136], "mean": 0.0355, "spread": 0.1971}, "at": 1787137731}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135554, "scored_at": 1787137731, "alerts": [], "rank": 3637}, {"candidate_id": "ODC-855BC8", "res_at": 1787100188, "skeleton": "FVGFXFUPOMBTLV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.613, "axes": {"activity": 18.59, "binding": 5.7, "selectivity": 1.23, "admet": 4.16, "novelty": 1.99, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.62}, "binding": {"pIC50": 5.86, "LE": 0.309, "potency_term": 0.285, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.216, "target_engagement": 0.285}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.731, "ld50-zhu": 0.434, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.715118478379725, "aff_pf": 0.144828329483668, "aff_hs": 0.5771642525990804, "repeats_pf": {"runs": 3, "values": [0.1156, 0.1792, 0.1397], "mean": 0.1448, "spread": 0.0636}, "repeats_hs": {"runs": 3, "values": [0.5232, 0.6206, 0.5877], "mean": 0.5772, "spread": 0.0973}, "at": 1787100188}, "tier": 1, "relegate_reason": [], "submitted_at": 1787099964, "scored_at": 1787100188, "alerts": [], "rank": 3638}, {"candidate_id": "ODC-78225B", "res_at": 1787121846, "skeleton": "NLXCYQZQUBMABT", "hf_user": "FwangFwang", "display_name": "fwang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.611, "axes": {"activity": 15.37, "binding": 10.27, "selectivity": 2.05, "admet": 3.93, "novelty": 1.01, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.522, "fraction": 0.512}, "binding": {"pIC50": 6.54, "LE": 0.358, "potency_term": 0.513, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.2, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.746, "cyp3a4-substrate-carbonmangels": 0.06, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.512}}, "novelty": {"max_tanimoto": 0.804, "novelty": 0.196}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.522177280855057, "aff_pf": -0.5402984817822775, "aff_hs": -0.1408556600411733, "repeats_pf": {"runs": 3, "values": [-0.6335, -0.388, -0.5994], "mean": -0.5403, "spread": 0.2456}, "repeats_hs": {"runs": 3, "values": [-0.2308, -0.1158, -0.076], "mean": -0.1409, "spread": 0.1548}, "at": 1787121846}, "tier": 1, "relegate_reason": [], "submitted_at": 1787103860, "scored_at": 1787121846, "alerts": [], "rank": 3639}, {"candidate_id": "ODC-F54789", "res_at": 1787254134, "skeleton": "LLDZJKRVYKMGQD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 34.597, "axes": {"activity": 13.4, "binding": 8.29, "selectivity": 5.61, "admet": 2.27, "novelty": 3.12, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 6.4, "LE": 0.266, "potency_term": 0.468, "efficiency_cap": 0.886}, "selectivity": {"fold": 15.8, "selectivity_term": 0.6, "target_engagement": 0.468}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.685, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.76, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.403907138720179, "aff_pf": -0.4027741551399231, "aff_hs": 0.7970220645268759, "repeats_pf": {"runs": 3, "values": [-0.4311, -0.3329, -0.4443], "mean": -0.4028, "spread": 0.1114}, "repeats_hs": {"runs": 3, "values": [0.8212, 0.7315, 0.8384], "mean": 0.797, "spread": 0.107}, "at": 1787254134}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246818, "scored_at": 1787254134, "alerts": [], "rank": 3640}, {"candidate_id": "ODC-A0297A", "res_at": 1787619353, "skeleton": "LFAVNMDHJZRRER", "hf_user": "Bio-JS", "display_name": "아닐린 4차: N-포밀-3-메틸아제티딘-3-일 (아실 경량 −1 HA)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 34.587, "axes": {"activity": 18.78, "binding": 4.69, "selectivity": 1.93, "admet": 2.44, "novelty": 4.25, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.727, "fraction": 0.626}, "binding": {"pIC50": 5.98, "LE": 0.216, "potency_term": 0.327, "efficiency_cap": 0.719}, "selectivity": {"fold": 3.9, "selectivity_term": 0.296, "target_engagement": 0.327}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.31, "hia-hou": 1.0, "bioavailability-ma": 0.946, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.356, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.727011013972202, "aff_pf": 0.020259499549865723, "aff_hs": 0.611355185508728, "repeats_pf": {"runs": 3, "values": [-0.7007, 0.4526, 0.3089], "mean": 0.0203, "spread": 1.1532}, "repeats_hs": {"runs": 3, "values": [0.6138, 0.5552, 0.6651], "mean": 0.6114, "spread": 0.1099}, "at": 1787619353}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618633, "scored_at": 1787619353, "alerts": [], "rank": 3641}, {"candidate_id": "ODC-8CA549", "res_at": 1786833268, "skeleton": "VMKADMFMGJXKGM", "hf_user": "ALEX32321", "display_name": "ALEXAI-ODC8-PYM-CF3OH-3F4CF3", "model_name": "OpenCrab-ALEXAI v0.9", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 34.584, "axes": {"activity": 14.28, "binding": 10.99, "selectivity": 3.12, "admet": 3.31, "novelty": 1.02, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.457, "fraction": 0.476}, "binding": {"pIC50": 6.68, "LE": 0.295, "potency_term": 0.559, "efficiency_cap": 0.984}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.971, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.814, "novelty": 0.186}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 5.456745363428519, "aff_pf": -0.6765129764874777, "aff_hs": -0.11772263050079346, "repeats_pf": {"runs": 3, "values": [-0.6093, -0.6021, -0.8181], "mean": -0.6765, "spread": 0.216}, "repeats_hs": {"runs": 3, "values": [-0.1425, -0.0853, -0.1254], "mean": -0.1177, "spread": 0.0571}, "at": 1786833268}, "tier": 1, "relegate_reason": [], "submitted_at": 1786799172, "scored_at": 1786833268, "alerts": [], "rank": 3642}, {"candidate_id": "ODC-84DF0A", "res_at": 1788264583, "skeleton": "NBUPQDQUBGJOQZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 34.583, "axes": {"activity": 11.58, "binding": 10.49, "selectivity": 3.19, "admet": 3.46, "novelty": 3.78, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 6.57, "LE": 0.334, "potency_term": 0.524, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.384, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.615, "herg": 0.311, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.294937035398072, "aff_pf": -0.5729762514432272, "aff_hs": 0.035787602265675865, "repeats_pf": {"runs": 3, "values": [-0.6044, -0.5884, -0.5261], "mean": -0.573, "spread": 0.0784}, "repeats_hs": {"runs": 3, "values": [0.1602, -0.0051, -0.0478], "mean": 0.0358, "spread": 0.208}, "at": 1788264583}, "tier": 1, "alerts": [], "total_sd": 0.471, "total_ci95": [33.635, 35.473], "relegate_reason": [], "submitted_at": 1788223299, "scored_at": 1788264583, "rank": 3643}, {"candidate_id": "ODC-E96787", "res_at": 1787319454, "skeleton": "UFTZCRJKVBYICM", "hf_user": "takutoyo", "display_name": "PfD12-21", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 34.581, "axes": {"activity": 19.85, "binding": 5.92, "selectivity": 0.0, "admet": 2.35, "novelty": 3.97, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.791, "fraction": 0.662}, "binding": {"pIC50": 5.95, "LE": 0.281, "potency_term": 0.316, "efficiency_cap": 0.937}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.316}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.079, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.261, "ld50-zhu": 0.455, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.79109268335035, "aff_pf": 0.05176194260517756, "aff_hs": -0.2680642902851105, "repeats_pf": {"runs": 3, "values": [-0.1478, 0.1802, 0.1229], "mean": 0.0518, "spread": 0.328}, "repeats_hs": {"runs": 3, "values": [-0.3245, -0.2434, -0.2363], "mean": -0.2681, "spread": 0.0881}, "at": 1787319454}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315931, "scored_at": 1787319454, "alerts": [], "rank": 3644}, {"candidate_id": "ODC-883580", "res_at": 1787970673, "skeleton": "LAMPLIXGXXBNTC", "hf_user": "Bio-JS", "display_name": "B x 팔5 민무늬 페닐 (음의 대조)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········cccc1", "total": 34.565, "axes": {"activity": 9.37, "binding": 11.32, "selectivity": 4.74, "admet": 2.65, "novelty": 3.95, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 6.7, "LE": 0.316, "potency_term": 0.566, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.419, "target_engagement": 0.566}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.469, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.386}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.162412657716374, "aff_pf": -0.6973417599995931, "aff_hs": 0.14091558257738748, "repeats_pf": {"runs": 3, "values": [-0.6242, -0.711, -0.7568], "mean": -0.6973, "spread": 0.1327}, "repeats_hs": {"runs": 3, "values": [0.198, 0.072, 0.1528], "mean": 0.1409, "spread": 0.1259}, "at": 1787970673}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967331, "scored_at": 1787970673, "alerts": [], "rank": 3645}, {"candidate_id": "ODC-393DB1", "res_at": 1786837212, "skeleton": "QAAAFGSWRJXBDR", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 34.558, "axes": {"activity": 1.24, "binding": 13.12, "selectivity": 7.89, "admet": 5.03, "novelty": 4.31, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 4.675, "fraction": 0.041}, "binding": {"pIC50": 6.97, "LE": 0.477, "potency_term": 0.656, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.9, "selectivity_term": 0.601, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.229, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "1", "pAct_q10": 4.674674812382747, "aff_pf": -0.9683995644251505, "aff_hs": 0.2341672976811727, "repeats_pf": {"runs": 3, "values": [-0.976, -1.0668, -0.8624], "mean": -0.9684, "spread": 0.2043}, "repeats_hs": {"runs": 3, "values": [0.165, 0.2685, 0.269], "mean": 0.2342, "spread": 0.1039}, "at": 1786837212}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804209, "scored_at": 1786837212, "alerts": [], "rank": 3646}, {"candidate_id": "ODC-332E30", "res_at": 1787422361, "skeleton": "JMTDJNLIGSXQCE", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 34.556, "axes": {"activity": 18.11, "binding": 7.37, "selectivity": 0.0, "admet": 2.18, "novelty": 4.18, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.687, "fraction": 0.604}, "binding": {"pIC50": 6.34, "LE": 0.248, "potency_term": 0.446, "efficiency_cap": 0.827}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.686559546812007, "aff_pf": -0.33752570549647015, "aff_hs": -0.4989302456378937, "repeats_pf": {"runs": 3, "values": [-0.2217, -0.3256, -0.4653], "mean": -0.3375, "spread": 0.2436}, "repeats_hs": {"runs": 3, "values": [0.0967, -0.7615, -0.8319], "mean": -0.4989, "spread": 0.9286}, "at": 1787422361}, "tier": 1, "relegate_reason": [], "submitted_at": 1787421049, "scored_at": 1787422361, "alerts": [], "rank": 3647}, {"candidate_id": "ODC-65431C", "res_at": 1788133904, "skeleton": "KJRLIUBYBASLIH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)cc1", "total": 34.521, "axes": {"activity": 17.36, "binding": 8.11, "selectivity": 0.0, "admet": 2.64, "novelty": 3.51, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.642, "fraction": 0.579}, "binding": {"pIC50": 6.51, "LE": 0.241, "potency_term": 0.505, "efficiency_cap": 0.804}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.137, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.729, "ld50-zhu": 0.669, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.6416206658896835, "aff_pf": -0.5136361370484034, "aff_hs": -1.2223285833994548, "repeats_pf": {"runs": 3, "values": [-0.0669, -0.7394, -0.7346], "mean": -0.5136, "spread": 0.6725}, "repeats_hs": {"runs": 3, "values": [-1.1116, -1.2419, -1.3135], "mean": -1.2223, "spread": 0.2019}, "at": 1788133904}, "tier": 1, "alerts": [], "total_sd": 1.144, "total_ci95": [31.735, 36.055], "relegate_reason": [], "submitted_at": 1788132564, "scored_at": 1788133904, "rank": 3648}, {"candidate_id": "ODC-A50750", "res_at": 1786907859, "skeleton": "KVBDWIJJSWMTFE", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········F)CC1", "total": 34.489, "axes": {"activity": 13.12, "binding": 10.9, "selectivity": 1.45, "admet": 3.54, "novelty": 3.49, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.387, "fraction": 0.437}, "binding": {"pIC50": 6.63, "LE": 0.325, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.134, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.824, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.778, "ld50-zhu": 0.807, "herg": 0.225, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.3871894270957, "aff_pf": -0.6346120436986288, "aff_hs": -0.36760257681210834, "repeats_pf": {"runs": 3, "values": [-0.6883, -0.6286, -0.5869], "mean": -0.6346, "spread": 0.1014}, "repeats_hs": {"runs": 3, "values": [-0.4156, -0.3619, -0.3253], "mean": -0.3676, "spread": 0.0903}, "at": 1786907859}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899075, "scored_at": 1786907859, "alerts": [], "rank": 3649}, {"candidate_id": "ODC-C9920A", "res_at": 1787568204, "skeleton": "CZSMAHCLARKORT", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 34.45, "axes": {"activity": 11.88, "binding": 11.67, "selectivity": 0.12, "admet": 5.11, "novelty": 4.42, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.313, "fraction": 0.396}, "binding": {"pIC50": 6.75, "LE": 0.308, "potency_term": 0.583, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.826, "cyp2c9-veith": 0.986, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.968, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 4.5}}, "run": {"gpu": "3", "pAct_q10": 5.312983620236482, "aff_pf": -0.7502805391947428, "aff_hs": -0.7295454343159994, "repeats_pf": {"runs": 3, "values": [-0.7191, -0.7344, -0.7973], "mean": -0.7503, "spread": 0.0781}, "repeats_hs": {"runs": 3, "values": [-0.5875, -0.816, -0.7851], "mean": -0.7295, "spread": 0.2285}, "at": 1787568204}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566753, "scored_at": 1787568204, "alerts": [], "rank": 3650}, {"candidate_id": "ODC-D78E6B", "res_at": 1788436006, "skeleton": "FMKXYSBXLQLCKR", "hf_user": "Bio-JS", "display_name": "0903-S1-20 oCN_mF/cPr/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 34.446, "axes": {"activity": 18.85, "binding": 5.93, "selectivity": 0.0, "admet": 2.55, "novelty": 4.46, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.731, "fraction": 0.628}, "binding": {"pIC50": 6.14, "LE": 0.234, "potency_term": 0.38, "efficiency_cap": 0.779}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.38}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.117, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.548}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.73114250869462, "aff_pf": -0.1414750615755717, "aff_hs": -0.45652822653452557, "repeats_pf": {"runs": 3, "values": [-0.0731, -0.1757, -0.1756], "mean": -0.1415, "spread": 0.1026}, "repeats_hs": {"runs": 3, "values": [-0.3852, -0.5235, -0.4608], "mean": -0.4565, "spread": 0.1383}, "at": 1788436006}, "tier": 1, "alerts": [], "total_sd": 0.173, "total_ci95": [34.029, 34.658], "relegate_reason": [], "submitted_at": 1788362835, "scored_at": 1788436006, "rank": 3651}, {"candidate_id": "ODC-7877F9", "res_at": 1786958180, "skeleton": "HNUKGUDZNVLYSX", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 34.427, "axes": {"activity": 14.85, "binding": 9.44, "selectivity": 2.33, "admet": 2.68, "novelty": 2.98, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.491, "fraction": 0.495}, "binding": {"pIC50": 6.42, "LE": 0.338, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.775, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.149, "ld50-zhu": 0.59, "herg": 0.132, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.491106483230006, "aff_pf": -0.416573832432429, "aff_hs": 0.07678556938966115, "repeats_pf": {"runs": 3, "values": [-0.3994, -0.4867, -0.3637], "mean": -0.4166, "spread": 0.123}, "repeats_hs": {"runs": 3, "values": [0.1525, 0.127, -0.0492], "mean": 0.0768, "spread": 0.2016}, "at": 1786958180}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957374, "scored_at": 1786958180, "alerts": [], "rank": 3652}, {"candidate_id": "ODC-1668FE", "res_at": 1787215385, "skeleton": "IBHXCBZKABDWFK", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········cc1Cl", "total": 34.426, "axes": {"activity": 13.73, "binding": 8.86, "selectivity": 3.8, "admet": 2.82, "novelty": 3.15, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 6.37, "LE": 0.291, "potency_term": 0.457, "efficiency_cap": 0.97}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.457}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.908, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.423683624150477, "aff_pf": -0.3705645302931468, "aff_hs": 0.46080245574315387, "repeats_pf": {"runs": 3, "values": [-0.3307, -0.3411, -0.4399], "mean": -0.3706, "spread": 0.1092}, "repeats_hs": {"runs": 3, "values": [0.5337, 0.3175, 0.5312], "mean": 0.4608, "spread": 0.2162}, "at": 1787215385}, "tier": 1, "relegate_reason": [], "submitted_at": 1787214419, "scored_at": 1787215385, "alerts": [], "rank": 3653}, {"candidate_id": "ODC-A6549A", "res_at": 1786915470, "skeleton": "YAXACTCEKMHPOA", "hf_user": "ipsych", "display_name": "TPY-pyridin4yl-3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.411, "axes": {"activity": 15.9, "binding": 8.7, "selectivity": 2.35, "admet": 2.35, "novelty": 2.61, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 6.3, "LE": 0.332, "potency_term": 0.435, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.421, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.5540628205285465, "aff_pf": -0.30477041006088257, "aff_hs": 0.23446613053480783, "repeats_pf": {"runs": 3, "values": [-0.1815, -0.452, -0.2808], "mean": -0.3048, "spread": 0.2704}, "repeats_hs": {"runs": 3, "values": [0.2317, 0.2271, 0.2446], "mean": 0.2345, "spread": 0.0175}, "at": 1786915470}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915109, "scored_at": 1786915470, "alerts": [], "rank": 3654}, {"candidate_id": "ODC-B471B8", "res_at": 1786975794, "skeleton": "DXTYZYWTZFFIJA", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.393, "axes": {"activity": 10.09, "binding": 11.08, "selectivity": 5.12, "admet": 3.71, "novelty": 1.78, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.205, "fraction": 0.336}, "binding": {"pIC50": 6.66, "LE": 0.365, "potency_term": 0.554, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.554}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.89, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.508, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "2", "pAct_q10": 5.205240003800694, "aff_pf": -0.6616697708765665, "aff_hs": 0.2619060277938843, "repeats_pf": {"runs": 3, "values": [-0.7019, -0.5887, -0.6944], "mean": -0.6617, "spread": 0.1132}, "repeats_hs": {"runs": 3, "values": [0.2741, 0.3115, 0.2002], "mean": 0.2619, "spread": 0.1113}, "at": 1786975794}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975448, "scored_at": 1786975794, "alerts": [], "rank": 3655}, {"candidate_id": "ODC-FF3897", "res_at": 1787227719, "skeleton": "DBBOCVCSNSDXPA", "hf_user": "takutoyo", "display_name": "PfD10-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 34.381, "axes": {"activity": 13.2, "binding": 10.93, "selectivity": 3.02, "admet": 2.59, "novelty": 2.26, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.392, "fraction": 0.44}, "binding": {"pIC50": 6.64, "LE": 0.314, "potency_term": 0.547, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.276, "target_engagement": 0.547}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.512, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.391954307981772, "aff_pf": -0.6399946610132853, "aff_hs": -0.08711419999599457, "repeats_pf": {"runs": 3, "values": [-0.6869, -0.6391, -0.5941], "mean": -0.64, "spread": 0.0928}, "repeats_hs": {"runs": 3, "values": [-0.1236, -0.0913, -0.0464], "mean": -0.0871, "spread": 0.0772}, "at": 1787227719}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227171, "scored_at": 1787227719, "alerts": [], "rank": 3656}, {"candidate_id": "ODC-D8BC1C", "res_at": 1788908734, "skeleton": "KAVZCOFIUARPJV", "hf_user": "Bio-JS", "display_name": "0909-S1-06", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········)n2n1", "total": 34.364, "axes": {"activity": 10.6, "binding": 10.68, "selectivity": 3.35, "admet": 4.27, "novelty": 3.24, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.353}, "binding": {"pIC50": 6.6, "LE": 0.377, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.465, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.222, "ld50-zhu": 0.443, "herg": 0.448, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.236205749452288, "aff_pf": -0.6023252805074056, "aff_hs": 0.02546633283297221, "repeats_pf": {"runs": 3, "values": [-0.683, -0.569, -0.555], "mean": -0.6023, "spread": 0.128}, "repeats_hs": {"runs": 3, "values": [-0.0365, 0.0498, 0.0631], "mean": 0.0255, "spread": 0.0996}, "at": 1788908734}, "tier": 1, "alerts": [], "total_sd": 0.703, "total_ci95": [33.268, 36.013], "relegate_reason": [], "submitted_at": 1788902858, "scored_at": 1788908734, "rank": 3657}, {"candidate_id": "ODC-E862B6", "res_at": 1788092001, "skeleton": "VLVYBWINZUWLQO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 34.363, "axes": {"activity": 18.5, "binding": 4.08, "selectivity": 3.19, "admet": 2.76, "novelty": 3.08, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.71, "fraction": 0.617}, "binding": {"pIC50": 5.77, "LE": 0.239, "potency_term": 0.256, "efficiency_cap": 0.798}, "selectivity": {"fold": 17.7, "selectivity_term": 0.624, "target_engagement": 0.256}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.464, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.958, "ld50-zhu": 0.503, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.709931478637108, "aff_pf": 0.2323834945758184, "aff_hs": 1.479759414990743, "repeats_pf": {"runs": 3, "values": [0.0934, 0.242, 0.3617], "mean": 0.2324, "spread": 0.2683}, "repeats_hs": {"runs": 3, "values": [1.5024, 1.5386, 1.3983], "mean": 1.4798, "spread": 0.1403}, "at": 1788092001}, "tier": 1, "alerts": [], "total_sd": 0.883, "total_ci95": [32.86, 36.217], "relegate_reason": [], "submitted_at": 1788080638, "scored_at": 1788092001, "rank": 3658}, {"candidate_id": "ODC-4FFE5B", "res_at": 1786936683, "skeleton": "IWTQFYAWZMCHLO", "hf_user": "1Dmeds", "display_name": "ODC26-R2Q-15", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.358, "axes": {"activity": 7.13, "binding": 13.14, "selectivity": 4.73, "admet": 3.93, "novelty": 2.96, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.028, "fraction": 0.238}, "binding": {"pIC50": 6.97, "LE": 0.341, "potency_term": 0.657, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.36, "target_engagement": 0.657}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.298, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.549, "novelty": 0.451}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.027849466329911, "aff_pf": -0.9704856276512146, "aff_hs": -0.2510695556799571, "repeats_pf": {"runs": 3, "values": [-1.0011, -0.9947, -0.9157], "mean": -0.9705, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [-0.1603, -0.4006, -0.1923], "mean": -0.2511, "spread": 0.2403}, "at": 1786936683}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930973, "scored_at": 1786936683, "alerts": [], "rank": 3659}, {"candidate_id": "ODC-9DC583", "res_at": 1789896354, "skeleton": "DMOITJWIQPXMFW", "hf_user": "Ku-ku", "display_name": "KK-M-0918-082", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Oc1cc(N··········nc2n1", "total": 34.356, "axes": {"activity": 12.41, "binding": 9.94, "selectivity": 1.64, "admet": 5.31, "novelty": 3.38, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.345, "fraction": 0.414}, "binding": {"pIC50": 6.49, "LE": 0.356, "potency_term": 0.497, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.165, "target_engagement": 0.497}, "admet": {"geometric_mean": 0.713, "per_endpoint": {"solubility-aqsoldb": 0.858, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.956, "cyp3a4-substrate-carbonmangels": 0.887, "ld50-zhu": 0.507, "herg": 0.765, "dili": 0.164}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 5.3448663026629735, "aff_pf": -0.49036551515261334, "aff_hs": -0.16038518895705542, "repeats_pf": {"runs": 3, "values": [-0.4818, -0.4795, -0.5098], "mean": -0.4904, "spread": 0.0303}, "repeats_hs": {"runs": 3, "values": [-0.3025, -0.2308, 0.0521], "mean": -0.1604, "spread": 0.3546}, "at": 1789896354}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.467, "total_ci95": [33.589, 35.428], "relegate_reason": [], "submitted_at": 1789664226, "scored_at": 1789896354, "rank": 3660}, {"candidate_id": "ODC-646914", "res_at": 1788088123, "skeleton": "ZIUULNNZYMDMSO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.351, "axes": {"activity": 15.61, "binding": 7.91, "selectivity": 1.54, "admet": 3.9, "novelty": 3.09, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.52}, "binding": {"pIC50": 6.19, "LE": 0.353, "potency_term": 0.396, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.471, "cyp3a4-substrate-carbonmangels": 0.463, "ld50-zhu": 0.565, "herg": 0.406, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.536816176272129, "aff_pf": -0.18692290286223093, "aff_hs": 0.20246893912553787, "repeats_pf": {"runs": 3, "values": [-0.0546, -0.2228, -0.2833], "mean": -0.1869, "spread": 0.2287}, "repeats_hs": {"runs": 3, "values": [0.2892, 0.375, -0.0568], "mean": 0.2025, "spread": 0.4318}, "at": 1788088123}, "tier": 1, "alerts": [], "total_sd": 0.788, "total_ci95": [32.731, 35.901], "relegate_reason": [], "submitted_at": 1788080462, "scored_at": 1788088123, "rank": 3661}, {"candidate_id": "ODC-1ACBC5", "res_at": 1787426745, "skeleton": "JEQAXUFUPNGEJP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 34.349, "axes": {"activity": 16.72, "binding": 5.64, "selectivity": 3.28, "admet": 2.46, "novelty": 3.8, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.09, "LE": 0.232, "potency_term": 0.365, "efficiency_cap": 0.773}, "selectivity": {"fold": 7.9, "selectivity_term": 0.45, "target_engagement": 0.365}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.685, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.603345690807352, "aff_pf": -0.09485638638337453, "aff_hs": 0.8050695459047953, "repeats_pf": {"runs": 3, "values": [0.1315, -0.2224, -0.1937], "mean": -0.0949, "spread": 0.3538}, "repeats_hs": {"runs": 3, "values": [0.8159, 0.9067, 0.6926], "mean": 0.8051, "spread": 0.2142}, "at": 1787426745}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425222, "scored_at": 1787426745, "alerts": [], "rank": 3662}, {"candidate_id": "ODC-C1E6AD", "res_at": 1787493666, "skeleton": "WHODGCMUFHFQCG", "hf_user": "takutoyo", "display_name": "PfD15-11", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 34.349, "axes": {"activity": 13.89, "binding": 9.29, "selectivity": 4.95, "admet": 1.79, "novelty": 2.91, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.62, "LE": 0.259, "potency_term": 0.538, "efficiency_cap": 0.863}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.065, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.256, "ld50-zhu": 0.756, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "3", "pAct_q10": 5.433296884720356, "aff_pf": -0.6150337855021158, "aff_hs": 0.30507155259450275, "repeats_pf": {"runs": 3, "values": [-0.6237, -0.6811, -0.5403], "mean": -0.615, "spread": 0.1409}, "repeats_hs": {"runs": 3, "values": [0.2526, 0.2479, 0.4147], "mean": 0.3051, "spread": 0.1668}, "at": 1787493666}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491593, "scored_at": 1787493666, "alerts": [], "rank": 3663}, {"candidate_id": "ODC-CFDFC2", "res_at": 1787968675, "skeleton": "XJSOGKARUGMFAQ", "hf_user": "Bio-JS", "display_name": "B x 팔2 피리딜-싸이오모르폴린다이옥사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········)ccn1", "total": 34.333, "axes": {"activity": 15.19, "binding": 10.26, "selectivity": 1.06, "admet": 2.16, "novelty": 3.76, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.511, "fraction": 0.506}, "binding": {"pIC50": 6.83, "LE": 0.253, "potency_term": 0.609, "efficiency_cap": 0.843}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.609}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.464, "caco2-wang": 0.407, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 5.511291851477972, "aff_pf": -0.8271260261535645, "aff_hs": -0.6532816688219706, "repeats_pf": {"runs": 3, "values": [-0.8387, -0.8612, -0.7814], "mean": -0.8271, "spread": 0.0798}, "repeats_hs": {"runs": 3, "values": [-0.7573, -0.6771, -0.5254], "mean": -0.6533, "spread": 0.232}, "at": 1787968675}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967298, "scored_at": 1787968675, "alerts": [], "rank": 3664}, {"candidate_id": "ODC-A62FB8", "res_at": 1789997764, "skeleton": "NZBIIDDQZPDSJB", "hf_user": "Bio-JS", "display_name": "0921-S1-22", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.303, "axes": {"activity": 10.3, "binding": 11.56, "selectivity": 4.05, "admet": 3.08, "novelty": 2.68, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.218, "fraction": 0.343}, "binding": {"pIC50": 6.73, "LE": 0.342, "potency_term": 0.578, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.578}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.054, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.981, "cyp2c9-veith": 0.069, "cyp3a4-substrate-carbonmangels": 0.645, "ld50-zhu": 0.721, "herg": 0.12, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.218279433100479, "aff_pf": -0.7333267132441202, "aff_hs": -0.03191311905781428, "repeats_pf": {"runs": 3, "values": [-0.7191, -0.7353, -0.7456], "mean": -0.7333, "spread": 0.0266}, "repeats_hs": {"runs": 3, "values": [-0.0414, -0.0765, 0.0222], "mean": -0.0319, "spread": 0.0987}, "at": 1789997764}, "tier": 1, "alerts": [], "total_sd": 0.181, "total_ci95": [34.009, 34.668], "relegate_reason": [], "submitted_at": 1789990432, "scored_at": 1789997764, "rank": 3665}, {"candidate_id": "ODC-5E81F5", "res_at": 1788085233, "skeleton": "GNYDYBHYYBMRRF", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 34.287, "axes": {"activity": 12.14, "binding": 11.26, "selectivity": 4.2, "admet": 3.71, "novelty": 1.27, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.69, "LE": 0.305, "potency_term": 0.563, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.563}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.89, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.062, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.774, "novelty": 0.226}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.328605060552421, "aff_pf": -0.6896175543467203, "aff_hs": 0.05616472537318865, "repeats_pf": {"runs": 3, "values": [-0.6997, -0.7093, -0.6598], "mean": -0.6896, "spread": 0.0495}, "repeats_hs": {"runs": 3, "values": [0.121, 0.0349, 0.0127], "mean": 0.0562, "spread": 0.1083}, "at": 1788085233}, "tier": 1, "alerts": [], "total_sd": 0.271, "total_ci95": [33.732, 34.803], "relegate_reason": [], "submitted_at": 1788078625, "scored_at": 1788085233, "rank": 3666}, {"candidate_id": "ODC-3ECF6A", "res_at": 1787888745, "skeleton": "VTQVSMMQJKVXAI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 34.249, "axes": {"activity": 13.25, "binding": 11.39, "selectivity": 0.0, "admet": 3.54, "novelty": 3.75, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.395, "fraction": 0.442}, "binding": {"pIC50": 6.81, "LE": 0.283, "potency_term": 0.604, "efficiency_cap": 0.943}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.604}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.767, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.361, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.395121794937254, "aff_pf": -0.8126094738642374, "aff_hs": -0.833364466826121, "repeats_pf": {"runs": 3, "values": [-0.7628, -0.8378, -0.8372], "mean": -0.8126, "spread": 0.075}, "repeats_hs": {"runs": 3, "values": [-0.8445, -0.884, -0.7717], "mean": -0.8334, "spread": 0.1123}, "at": 1787888745}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841155, "scored_at": 1787888745, "alerts": [], "rank": 3667}, {"candidate_id": "ODC-D623E0", "res_at": 1789049171, "skeleton": "OQSCKWHSBFYCPR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 34.232, "axes": {"activity": 10.48, "binding": 11.52, "selectivity": 3.02, "admet": 4.27, "novelty": 2.48, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 6.73, "LE": 0.369, "potency_term": 0.576, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.576}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.682, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.315, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.229025511080017, "aff_pf": -0.7282708684603373, "aff_hs": -0.20363509158293405, "repeats_pf": {"runs": 3, "values": [-0.7405, -0.7204, -0.7239], "mean": -0.7283, "spread": 0.0201}, "repeats_hs": {"runs": 3, "values": [-0.2025, -0.217, -0.1913], "mean": -0.2036, "spread": 0.0257}, "at": 1789049171}, "tier": 1, "alerts": [], "total_sd": 0.11, "total_ci95": [34.052, 34.472], "relegate_reason": [], "submitted_at": 1789040726, "scored_at": 1789049171, "rank": 3668}, {"candidate_id": "ODC-630D2A", "res_at": 1790001795, "skeleton": "IALQVMOMJPEDQA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.201, "axes": {"activity": 21.09, "binding": 1.95, "selectivity": 0.0, "admet": 3.54, "novelty": 4.6, "synthesis": 3.03}, "detail": {"activity": {"pAct_q10": 5.866, "fraction": 0.703}, "binding": {"pIC50": 5.39, "LE": 0.224, "potency_term": 0.13, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.592, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.271, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.713, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.865608138810009, "aff_pf": 0.6087084213892618, "aff_hs": -0.22232081492741904, "repeats_pf": {"runs": 3, "values": [0.4523, 0.7922, 0.5816], "mean": 0.6087, "spread": 0.3399}, "repeats_hs": {"runs": 3, "values": [-0.3372, -0.0949, -0.2349], "mean": -0.2223, "spread": 0.2423}, "at": 1790001795}, "tier": 1, "alerts": [], "total_sd": 0.44, "total_ci95": [33.253, 35.058], "relegate_reason": [], "submitted_at": 1789993228, "scored_at": 1790001795, "rank": 3669}, {"candidate_id": "ODC-C2334D", "res_at": 1786840793, "skeleton": "WLGDMXYIOLCYAU", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.189, "axes": {"activity": 15.36, "binding": 7.55, "selectivity": 4.76, "admet": 2.28, "novelty": 1.8, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 6.17, "LE": 0.291, "potency_term": 0.389, "efficiency_cap": 0.971}, "selectivity": {"fold": 16.8, "selectivity_term": 0.612, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.239, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.445, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.649, "novelty": 0.351}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.52145733221154, "aff_pf": -0.16666893164316812, "aff_hs": 1.0582871238390605, "repeats_pf": {"runs": 3, "values": [-0.2545, -0.1243, -0.1212], "mean": -0.1667, "spread": 0.1333}, "repeats_hs": {"runs": 3, "values": [1.1034, 0.9934, 1.078], "mean": 1.0583, "spread": 0.11}, "at": 1786840793}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806765, "scored_at": 1786840793, "alerts": [], "rank": 3670}, {"candidate_id": "ODC-C0B9E3", "res_at": 1788527072, "skeleton": "YBYNWJDDXDQEDL", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW2 cPr/CN/p-MeCF2", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cc1", "total": 34.183, "axes": {"activity": 12.44, "binding": 9.9, "selectivity": 4.0, "admet": 3.35, "novelty": 2.35, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.415}, "binding": {"pIC50": 6.48, "LE": 0.355, "potency_term": 0.495, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.404, "target_engagement": 0.495}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.602, "herg": 0.184, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.346125977125603, "aff_pf": -0.4845926761627197, "aff_hs": 0.32405688365300495, "repeats_pf": {"runs": 3, "values": [-0.5454, -0.4641, -0.4443], "mean": -0.4846, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [0.3469, 0.2938, 0.3314], "mean": 0.3241, "spread": 0.0531}, "at": 1788527072}, "tier": 1, "alerts": [], "total_sd": 0.504, "total_ci95": [33.423, 35.413], "relegate_reason": [], "submitted_at": 1788488180, "scored_at": 1788527072, "rank": 3671}, {"candidate_id": "ODC-0A0D1B", "res_at": 1788262350, "skeleton": "XGYNPMDWZLQKTD", "hf_user": "Bio-JS", "display_name": "0901-S1 가지에타이닐 x 설파이드 팔", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 34.169, "axes": {"activity": 17.52, "binding": 5.51, "selectivity": 2.92, "admet": 2.02, "novelty": 3.89, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.651, "fraction": 0.584}, "binding": {"pIC50": 6.05, "LE": 0.237, "potency_term": 0.349, "efficiency_cap": 0.789}, "selectivity": {"fold": 6.8, "selectivity_term": 0.418, "target_engagement": 0.349}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.345, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.639}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.6511123506441, "aff_pf": -0.04763960838317871, "aff_hs": 0.787827750047048, "repeats_pf": {"runs": 3, "values": [-0.085, -0.0436, -0.0143], "mean": -0.0476, "spread": 0.0708}, "repeats_hs": {"runs": 3, "values": [0.7746, 0.7189, 0.8699], "mean": 0.7878, "spread": 0.151}, "at": 1788262350}, "tier": 1, "alerts": [], "total_sd": 0.248, "total_ci95": [33.706, 34.644], "relegate_reason": [], "submitted_at": 1788222340, "scored_at": 1788262350, "rank": 3672}, {"candidate_id": "ODC-E73AB1", "res_at": 1787585395, "skeleton": "KXLGPZPOQYVXBR", "hf_user": "Moonweave", "display_name": "M5AI-RN-S2", "model_name": "OpenAI Codex — reference-neighborhood diagnostic", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········C2)s1", "total": 34.161, "axes": {"activity": 14.31, "binding": 9.15, "selectivity": 4.19, "admet": 2.87, "novelty": 1.25, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 6.37, "LE": 0.349, "potency_term": 0.457, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.458, "target_engagement": 0.457}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.67, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.192, "ld50-zhu": 0.324, "herg": 0.05, "dili": 0.643}}, "novelty": {"max_tanimoto": 0.738, "novelty": 0.262}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 5.458738092446744, "aff_pf": -0.37239224712053937, "aff_hs": 0.54366534948349, "repeats_pf": {"runs": 3, "values": [-0.3115, -0.431, -0.3746], "mean": -0.3724, "spread": 0.1195}, "repeats_hs": {"runs": 3, "values": [0.526, 0.5991, 0.5058], "mean": 0.5437, "spread": 0.0933}, "at": 1787585395}, "tier": 1, "relegate_reason": [], "submitted_at": 1787582061, "scored_at": 1787585395, "alerts": [], "rank": 3673}, {"candidate_id": "ODC-738EBC", "res_at": 1789880184, "skeleton": "PTBFJALFLHGCFB", "hf_user": "Ku-ku", "display_name": "KK-M-0917-240", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 34.151, "axes": {"activity": 13.42, "binding": 8.31, "selectivity": 2.98, "admet": 4.81, "novelty": 3.26, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 6.25, "LE": 0.357, "potency_term": 0.416, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.359, "target_engagement": 0.416}, "admet": {"geometric_mean": 0.717, "per_endpoint": {"solubility-aqsoldb": 0.8, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.766, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.457, "herg": 1.0, "dili": 0.16}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "2", "pAct_q10": 5.404908363365457, "aff_pf": -0.24661525090535483, "aff_hs": 0.4704606334368388, "repeats_pf": {"runs": 3, "values": [-0.2168, -0.2905, -0.2325], "mean": -0.2466, "spread": 0.0737}, "repeats_hs": {"runs": 3, "values": [0.508, 0.439, 0.4644], "mean": 0.4705, "spread": 0.069}, "at": 1789880184}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.236, "total_ci95": [33.76, 34.602], "relegate_reason": [], "submitted_at": 1789633582, "scored_at": 1789880184, "rank": 3674}, {"candidate_id": "ODC-074EE4", "res_at": 1789218725, "skeleton": "PHQDXQWHVKRPAT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········)c1Cl", "total": 34.136, "axes": {"activity": 16.29, "binding": 5.01, "selectivity": 3.03, "admet": 3.8, "novelty": 3.87, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.577, "fraction": 0.543}, "binding": {"pIC50": 5.75, "LE": 0.315, "potency_term": 0.251, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.579, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.496}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.5773167655930695, "aff_pf": 0.24838416775067648, "aff_hs": 1.4597092072168987, "repeats_pf": {"runs": 3, "values": [0.3103, 0.2356, 0.1993], "mean": 0.2484, "spread": 0.111}, "repeats_hs": {"runs": 3, "values": [1.4623, 1.4466, 1.4702], "mean": 1.4597, "spread": 0.0235}, "at": 1789218725}, "tier": 1, "alerts": [], "total_sd": 0.364, "total_ci95": [33.337, 34.792], "relegate_reason": [], "submitted_at": 1789218110, "scored_at": 1789218725, "rank": 3675}, {"candidate_id": "ODC-E24630", "res_at": 1789958783, "skeleton": "IIOQKWULIKTNNK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 34.122, "axes": {"activity": 16.42, "binding": 6.37, "selectivity": 2.55, "admet": 2.85, "novelty": 3.57, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.585, "fraction": 0.547}, "binding": {"pIC50": 6.18, "LE": 0.242, "potency_term": 0.395, "efficiency_cap": 0.807}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.395}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.389, "hia-hou": 1.0, "bioavailability-ma": 0.379, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.732, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.572, "herg": 0.069, "dili": 0.753}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.585434230594702, "aff_pf": -0.18448532124360403, "aff_hs": 0.46150123079617816, "repeats_pf": {"runs": 3, "values": [-0.2268, -0.1482, -0.1785], "mean": -0.1845, "spread": 0.0786}, "repeats_hs": {"runs": 3, "values": [0.4827, 0.269, 0.6328], "mean": 0.4615, "spread": 0.3638}, "at": 1789958783}, "tier": 1, "alerts": [], "total_sd": 0.429, "total_ci95": [33.329, 34.942], "relegate_reason": [], "submitted_at": 1789863717, "scored_at": 1789958783, "rank": 3676}, {"candidate_id": "ODC-B0D5E7", "res_at": 1787871763, "skeleton": "AYIFHPRZWURFRA", "hf_user": "Bio-JS", "display_name": "고리 황 -> 설폰: 1,1-다이옥소싸이에탄-3-일", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 34.101, "axes": {"activity": 16.78, "binding": 6.68, "selectivity": 1.86, "admet": 2.65, "novelty": 3.73, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.559}, "binding": {"pIC50": 6.29, "LE": 0.233, "potency_term": 0.43, "efficiency_cap": 0.776}, "selectivity": {"fold": 2.7, "selectivity_term": 0.216, "target_engagement": 0.43}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.31, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.107, "ld50-zhu": 0.355, "herg": 0.05, "dili": 0.179}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.606853277656308, "aff_pf": -0.2910909354686737, "aff_hs": 0.14045674602190653, "repeats_pf": {"runs": 3, "values": [-0.4098, -0.3107, -0.1528], "mean": -0.2911, "spread": 0.2569}, "repeats_hs": {"runs": 3, "values": [0.1908, 0.053, 0.1776], "mean": 0.1405, "spread": 0.1378}, "at": 1787867893}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813174, "scored_at": 1787867893, "alerts": [], "rank": 3677}, {"candidate_id": "ODC-9203A9", "res_at": 1787069901, "skeleton": "SCXMCZSCAGZUMN", "hf_user": "snsapple", "display_name": "snsapple", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(-··········)(F)F", "total": 34.098, "axes": {"activity": 11.91, "binding": 9.63, "selectivity": 3.27, "admet": 3.86, "novelty": 3.12, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.44, "LE": 0.327, "potency_term": 0.482, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.482}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.647, "cyp3a4-substrate-carbonmangels": 0.852, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.3145423193867405, "aff_pf": -0.4446234107017517, "aff_hs": 0.23341763019561768, "repeats_pf": {"runs": 3, "values": [-0.3757, -0.4265, -0.5317], "mean": -0.4446, "spread": 0.156}, "repeats_hs": {"runs": 3, "values": [0.0751, 0.4024, 0.2227], "mean": 0.2334, "spread": 0.3272}, "at": 1787069901}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065011, "scored_at": 1787069901, "alerts": [], "rank": 3678}, {"candidate_id": "ODC-F42A5E", "res_at": 1788856754, "skeleton": "BAOSDBRNSWZWSV", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-01", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 34.081, "axes": {"activity": 14.61, "binding": 8.01, "selectivity": 2.89, "admet": 4.07, "novelty": 2.39, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 6.2, "LE": 0.369, "potency_term": 0.401, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.361, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.816, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.398, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.476678019190413, "aff_pf": -0.20224055647850037, "aff_hs": 0.5199290414651235, "repeats_pf": {"runs": 3, "values": [-0.2051, -0.1651, -0.2366], "mean": -0.2022, "spread": 0.0715}, "repeats_hs": {"runs": 3, "values": [0.5794, 0.4908, 0.4896], "mean": 0.5199, "spread": 0.0898}, "at": 1788856754}, "tier": 1, "alerts": [], "total_sd": 0.24, "total_ci95": [33.715, 34.535], "relegate_reason": [], "submitted_at": 1788856299, "scored_at": 1788856754, "rank": 3679}, {"candidate_id": "ODC-92DD1A", "res_at": 1788914425, "skeleton": "ONBJIGYQNSBPRB", "hf_user": "Bio-JS", "display_name": "0909-S1-21", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 34.078, "axes": {"activity": 10.96, "binding": 10.16, "selectivity": 3.84, "admet": 4.26, "novelty": 2.75, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.258, "fraction": 0.365}, "binding": {"pIC50": 6.52, "LE": 0.372, "potency_term": 0.508, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.378, "target_engagement": 0.508}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.775, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.309, "herg": 0.95, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.257604004024852, "aff_pf": -0.5238795280456543, "aff_hs": 0.23286529382069907, "repeats_pf": {"runs": 3, "values": [-0.5573, -0.5116, -0.5027], "mean": -0.5239, "spread": 0.0545}, "repeats_hs": {"runs": 3, "values": [0.2331, 0.2656, 0.1999], "mean": 0.2329, "spread": 0.0658}, "at": 1788914425}, "tier": 1, "alerts": [], "total_sd": 0.318, "total_ci95": [33.604, 34.816], "relegate_reason": [], "submitted_at": 1788902973, "scored_at": 1788914425, "rank": 3680}, {"candidate_id": "ODC-9EBAF6", "res_at": 1788143686, "skeleton": "QXDHMKCDMPVBRA", "hf_user": "Bio-JS", "display_name": "K7 음성대조 이환->단환 피리미딘", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)F)n1", "total": 34.073, "axes": {"activity": 10.5, "binding": 9.36, "selectivity": 5.19, "admet": 3.61, "novelty": 3.09, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.23, "fraction": 0.35}, "binding": {"pIC50": 6.4, "LE": 0.439, "potency_term": 0.468, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.8, "selectivity_term": 0.554, "target_engagement": 0.468}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.969, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.403, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.263, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 5.230059547052399, "aff_pf": -0.4045904775460561, "aff_hs": 0.70295250415802, "repeats_pf": {"runs": 3, "values": [-0.4211, -0.4157, -0.377], "mean": -0.4046, "spread": 0.0441}, "repeats_hs": {"runs": 3, "values": [0.6451, 0.7244, 0.7394], "mean": 0.703, "spread": 0.0943}, "at": 1788143686}, "tier": 1, "alerts": [], "total_sd": 0.266, "total_ci95": [33.484, 34.538], "relegate_reason": [], "submitted_at": 1788139252, "scored_at": 1788143686, "rank": 3681}, {"candidate_id": "ODC-9BBD59", "res_at": 1786771075, "skeleton": "ZXMOUXSCAWGHSB", "hf_user": "Sunghokim", "display_name": "SUNGHOKIM", "model_name": "Claude 5 Fable", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Br)cc2F)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 34.05, "axes": {"activity": 7.62, "binding": 11.24, "selectivity": 6.15, "admet": 4.12, "novelty": 2.29, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.057, "fraction": 0.254}, "binding": {"pIC50": 6.69, "LE": 0.398, "potency_term": 0.562, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.547, "target_engagement": 0.562}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.368, "ld50-zhu": 0.282, "herg": 0.564, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.593, "novelty": 0.407}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.057370292999239, "aff_pf": -0.6865047216415405, "aff_hs": 0.40782639384269714, "at": 1786771075}, "tier": 1, "relegate_reason": [], "submitted_at": 1786770437, "scored_at": 1786771075, "alerts": [], "rank": 3682}, {"candidate_id": "ODC-8D0658", "res_at": 1787020151, "skeleton": "ADKLBVFBAOAYKK", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········)n2n1", "total": 34.047, "axes": {"activity": 16.37, "binding": 7.12, "selectivity": 2.26, "admet": 3.39, "novelty": 2.27, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.582, "fraction": 0.546}, "binding": {"pIC50": 6.07, "LE": 0.333, "potency_term": 0.356, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.631, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.115, "ld50-zhu": 0.498, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.583, "novelty": 0.417}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.582331092819797, "aff_pf": -0.067701389392217, "aff_hs": 0.5666862527529398, "repeats_pf": {"runs": 3, "values": [-0.0353, -0.0895, -0.0783], "mean": -0.0677, "spread": 0.0542}, "repeats_hs": {"runs": 3, "values": [0.5803, 0.5454, 0.5744], "mean": 0.5667, "spread": 0.0349}, "at": 1787020151}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019452, "scored_at": 1787020151, "alerts": [], "rank": 3683}, {"candidate_id": "ODC-7E9DD2", "res_at": 1788135112, "skeleton": "PSXMOZBPWPDNGT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 34.028, "axes": {"activity": 18.67, "binding": 4.88, "selectivity": 0.79, "admet": 3.64, "novelty": 3.25, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.72, "fraction": 0.622}, "binding": {"pIC50": 5.94, "LE": 0.233, "potency_term": 0.315, "efficiency_cap": 0.776}, "selectivity": {"fold": 1.8, "selectivity_term": 0.125, "target_engagement": 0.315}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.624, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.385, "ld50-zhu": 0.491, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.478, "novelty": 0.522}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.720100055633057, "aff_pf": 0.0560111366212368, "aff_hs": 0.3062337537606557, "repeats_pf": {"runs": 3, "values": [0.2167, -0.0369, -0.0118], "mean": 0.056, "spread": 0.2536}, "repeats_hs": {"runs": 3, "values": [0.3066, 0.37, 0.2422], "mean": 0.3062, "spread": 0.1278}, "at": 1788135112}, "tier": 1, "alerts": [], "total_sd": 0.637, "total_ci95": [33.093, 34.991], "relegate_reason": [], "submitted_at": 1788132487, "scored_at": 1788135112, "rank": 3684}, {"candidate_id": "ODC-B90716", "res_at": 1787871783, "skeleton": "JNQUNQJMILCNDW", "hf_user": "Moonweave", "display_name": "M5AI-F12-PRP-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 33.99, "axes": {"activity": 13.36, "binding": 10.05, "selectivity": 3.17, "admet": 2.08, "novelty": 3.11, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 6.52, "LE": 0.298, "potency_term": 0.506, "efficiency_cap": 0.992}, "selectivity": {"fold": 4.2, "selectivity_term": 0.313, "target_engagement": 0.506}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.195, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.429}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.401495401969181, "aff_pf": -0.5188056230545044, "aff_hs": 0.10729723920424779, "repeats_pf": {"runs": 3, "values": [-0.5542, -0.4729, -0.5293], "mean": -0.5188, "spread": 0.0813}, "repeats_hs": {"runs": 3, "values": [0.1172, 0.2067, -0.002], "mean": 0.1073, "spread": 0.2087}, "at": 1787844985}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791013, "scored_at": 1787844985, "alerts": [], "rank": 3685}, {"candidate_id": "ODC-FC72D2", "res_at": 1787564305, "skeleton": "YVKVLKYWLOKDNH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········F)CC2", "total": 33.989, "axes": {"activity": 15.1, "binding": 9.01, "selectivity": 0.0, "admet": 4.41, "novelty": 3.81, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.506, "fraction": 0.503}, "binding": {"pIC50": 6.35, "LE": 0.3, "potency_term": 0.451, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.451}, "admet": {"geometric_mean": 0.584, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 0.896, "pgp-broccatelli": 0.6, "cyp2c9-veith": 0.941, "cyp3a4-substrate-carbonmangels": 0.246, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.506111311542982, "aff_pf": -0.3520144770542781, "aff_hs": -0.5279601812362671, "repeats_pf": {"runs": 3, "values": [-0.5776, -0.2067, -0.2718], "mean": -0.352, "spread": 0.371}, "repeats_hs": {"runs": 3, "values": [-0.5566, -0.507, -0.5203], "mean": -0.528, "spread": 0.0496}, "at": 1787564305}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556872, "scored_at": 1787564305, "alerts": [], "rank": 3686}, {"candidate_id": "ODC-9D46C3", "res_at": 1788602607, "skeleton": "QQKYWWXNZABIQH", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)nn12", "total": 33.981, "axes": {"activity": 10.31, "binding": 12.62, "selectivity": 1.07, "admet": 3.43, "novelty": 3.75, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 6.89, "LE": 0.363, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.084, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.457, "ld50-zhu": 0.517, "herg": 0.128, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.218568310142772, "aff_pf": -0.8937345345815023, "aff_hs": -0.7249009609222412, "repeats_pf": {"runs": 3, "values": [-0.8575, -0.931, -0.8927], "mean": -0.8937, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [-0.7537, -0.6802, -0.7408], "mean": -0.7249, "spread": 0.0734}, "at": 1788602607}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [33.331, 34.687], "relegate_reason": [], "submitted_at": 1788583751, "scored_at": 1788602607, "rank": 3687}, {"candidate_id": "ODC-3DE629", "res_at": 1787240549, "skeleton": "CWJAXWNACWLUIO", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-A01", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 33.979, "axes": {"activity": 12.95, "binding": 9.75, "selectivity": 2.94, "admet": 3.63, "novelty": 2.6, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 6.46, "LE": 0.341, "potency_term": 0.488, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.301, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.447, "cyp3a4-substrate-carbonmangels": 0.322, "ld50-zhu": 0.569, "herg": 0.169, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.3770667362237115, "aff_pf": -0.4629748264948527, "aff_hs": 0.1399014194806417, "repeats_pf": {"runs": 3, "values": [-0.5027, -0.3485, -0.5377], "mean": -0.463, "spread": 0.1892}, "repeats_hs": {"runs": 3, "values": [0.1618, 0.1095, 0.1485], "mean": 0.1399, "spread": 0.0523}, "at": 1787240549}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234761, "scored_at": 1787240549, "alerts": [], "rank": 3688}, {"candidate_id": "ODC-C2E484", "res_at": 1788331462, "skeleton": "WNVSMLRJCKYPCC", "hf_user": "Bio-JS", "display_name": "0902-A6말단33디플루오로아제티딘", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.952, "axes": {"activity": 17.02, "binding": 7.03, "selectivity": 1.09, "admet": 2.72, "novelty": 3.69, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.621, "fraction": 0.567}, "binding": {"pIC50": 6.26, "LE": 0.252, "potency_term": 0.418, "efficiency_cap": 0.84}, "selectivity": {"fold": 1.8, "selectivity_term": 0.131, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.315, "cyp3a4-substrate-carbonmangels": 0.59, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.538}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.621238740648208, "aff_pf": -0.25502632558345795, "aff_hs": 0.006016353766123454, "repeats_pf": {"runs": 3, "values": [-0.2733, -0.2437, -0.2482], "mean": -0.255, "spread": 0.0296}, "repeats_hs": {"runs": 3, "values": [-0.0215, 0.0472, -0.0077], "mean": 0.006, "spread": 0.0687}, "at": 1788331462}, "tier": 1, "alerts": [], "total_sd": 0.112, "total_ci95": [33.759, 34.188], "relegate_reason": [], "submitted_at": 1788327370, "scored_at": 1788331462, "rank": 3689}, {"candidate_id": "ODC-EBED79", "res_at": 1787100382, "skeleton": "POKCYLMMIKJMNF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.93, "axes": {"activity": 17.09, "binding": 7.98, "selectivity": 0.0, "admet": 4.18, "novelty": 1.97, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 6.2, "LE": 0.327, "potency_term": 0.399, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.543, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.625519135267644, "aff_pf": -0.19688989718755087, "aff_hs": -0.32557761669158936, "repeats_pf": {"runs": 3, "values": [-0.0977, -0.1986, -0.2943], "mean": -0.1969, "spread": 0.1966}, "repeats_hs": {"runs": 3, "values": [-0.2888, -0.3729, -0.3151], "mean": -0.3256, "spread": 0.0841}, "at": 1787100382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787099978, "scored_at": 1787100382, "alerts": [], "rank": 3690}, {"candidate_id": "ODC-DF2E29", "res_at": 1789617958, "skeleton": "OVCCGVYOPSKHCR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 33.915, "axes": {"activity": 16.15, "binding": 7.98, "selectivity": 1.07, "admet": 3.75, "novelty": 3.54, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.569, "fraction": 0.538}, "binding": {"pIC50": 6.33, "LE": 0.271, "potency_term": 0.442, "efficiency_cap": 0.903}, "selectivity": {"fold": 1.7, "selectivity_term": 0.12, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.422, "hia-hou": 0.982, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "0", "pAct_q10": 5.568779469243546, "aff_pf": -0.326181024312973, "aff_hs": -0.08520456155141194, "repeats_pf": {"runs": 3, "values": [-0.3403, -0.355, -0.2832], "mean": -0.3262, "spread": 0.0718}, "repeats_hs": {"runs": 3, "values": [-0.2486, -0.0667, 0.0597], "mean": -0.0852, "spread": 0.3083}, "at": 1789617958}, "tier": 1, "alerts": [], "total_sd": 0.388, "total_ci95": [33.171, 34.679], "relegate_reason": [], "submitted_at": 1789617576, "scored_at": 1789617958, "rank": 3691}, {"candidate_id": "ODC-F3B458", "res_at": 1788614323, "skeleton": "OPYRIPNOMJTXMQ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 33.909, "axes": {"activity": 15.95, "binding": 9.08, "selectivity": 1.23, "admet": 2.75, "novelty": 2.77, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.557, "fraction": 0.532}, "binding": {"pIC50": 6.36, "LE": 0.301, "potency_term": 0.454, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.135, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.837, "cyp2c9-veith": 0.252, "cyp3a4-substrate-carbonmangels": 0.412, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.479, "novelty": 0.521}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.556865479798714, "aff_pf": -0.36132776737213135, "aff_hs": -0.0906870315472285, "repeats_pf": {"runs": 3, "values": [-0.3135, -0.3938, -0.3767], "mean": -0.3613, "spread": 0.0804}, "repeats_hs": {"runs": 3, "values": [-0.0634, -0.1562, -0.0524], "mean": -0.0907, "spread": 0.1038}, "at": 1788614323}, "tier": 1, "alerts": [], "total_sd": 0.267, "total_ci95": [33.406, 34.412], "relegate_reason": [], "submitted_at": 1788583759, "scored_at": 1788614323, "rank": 3692}, {"candidate_id": "ODC-01AD28", "res_at": 1789995021, "skeleton": "NKPJZTNWJUETHJ", "hf_user": "Bio-JS", "display_name": "0921-S1-10", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 33.9, "axes": {"activity": 13.51, "binding": 9.14, "selectivity": 3.75, "admet": 3.07, "novelty": 2.42, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 6.37, "LE": 0.323, "potency_term": 0.457, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.41, "target_engagement": 0.457}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.703, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.65, "herg": 0.192, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.47, "novelty": 0.53}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.41039655103511, "aff_pf": -0.37128928303718567, "aff_hs": 0.4484335382779439, "repeats_pf": {"runs": 3, "values": [-0.4101, -0.3164, -0.3874], "mean": -0.3713, "spread": 0.0938}, "repeats_hs": {"runs": 3, "values": [0.4756, 0.3908, 0.4789], "mean": 0.4484, "spread": 0.088}, "at": 1789995021}, "tier": 1, "alerts": [], "total_sd": 0.447, "total_ci95": [33.031, 34.648], "relegate_reason": [], "submitted_at": 1789989943, "scored_at": 1789995021, "rank": 3693}, {"candidate_id": "ODC-4D266D", "res_at": 1787099816, "skeleton": "VIPGROFROLHXOA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNc1··········3)cc1", "total": 33.898, "axes": {"activity": 17.46, "binding": 6.29, "selectivity": 1.63, "admet": 3.83, "novelty": 1.87, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.648, "fraction": 0.582}, "binding": {"pIC50": 5.94, "LE": 0.313, "potency_term": 0.315, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.315}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.835, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.476, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.647831868447427, "aff_pf": 0.05591869975129763, "aff_hs": 0.5728959242502848, "repeats_pf": {"runs": 3, "values": [0.0251, -0.006, 0.1487], "mean": 0.0559, "spread": 0.1547}, "repeats_hs": {"runs": 3, "values": [0.6, 0.5103, 0.6083], "mean": 0.5729, "spread": 0.098}, "at": 1787099816}, "tier": 1, "relegate_reason": [], "submitted_at": 1787099621, "scored_at": 1787099816, "alerts": [], "rank": 3694}, {"candidate_id": "ODC-9BAB43", "res_at": 1787046606, "skeleton": "HTVLQYGQVMEFIG", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · GPT-5.6 Codex + Jenny/Paseo R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 33.893, "axes": {"activity": 22.41, "binding": 0.34, "selectivity": 0.0, "admet": 2.79, "novelty": 5.16, "synthesis": 3.19}, "detail": {"activity": {"pAct_q10": 5.945, "fraction": 0.747}, "binding": {"pIC50": 5.08, "LE": 0.193, "potency_term": 0.026, "efficiency_cap": 0.644}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.026}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.428, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.944661404348061, "aff_pf": 0.9207856257756551, "aff_hs": -0.336962362130483, "repeats_pf": {"runs": 3, "values": [0.9823, 0.8747, 0.9053], "mean": 0.9208, "spread": 0.1076}, "repeats_hs": {"runs": 3, "values": [-0.2533, -0.4643, -0.2932], "mean": -0.337, "spread": 0.211}, "at": 1787046606}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039539, "scored_at": 1787046606, "alerts": [], "rank": 3695}, {"candidate_id": "ODC-E84D3B", "res_at": 1789221120, "skeleton": "BXGDHUGEZJZIFG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········I)c1F", "total": 33.856, "axes": {"activity": 16.16, "binding": 5.46, "selectivity": 2.44, "admet": 3.92, "novelty": 3.78, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 5.82, "LE": 0.319, "potency_term": 0.273, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.407, "herg": 0.05, "dili": 0.196}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.5695275960825334, "aff_pf": 0.18151527643203735, "aff_hs": 1.0749787886937459, "repeats_pf": {"runs": 3, "values": [0.1939, 0.188, 0.1626], "mean": 0.1815, "spread": 0.0313}, "repeats_hs": {"runs": 3, "values": [1.1508, 0.9791, 1.095], "mean": 1.075, "spread": 0.1717}, "at": 1789221120}, "tier": 1, "alerts": [], "total_sd": 0.143, "total_ci95": [33.597, 34.143], "relegate_reason": [], "submitted_at": 1789220520, "scored_at": 1789221120, "rank": 3696}, {"candidate_id": "ODC-6E0AA1", "res_at": 1786866091, "skeleton": "JKSXQTFYXVYVIH", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········)nn12", "total": 33.849, "axes": {"activity": 18.28, "binding": 3.92, "selectivity": 0.79, "admet": 4.28, "novelty": 3.74, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.697, "fraction": 0.609}, "binding": {"pIC50": 5.59, "LE": 0.348, "potency_term": 0.196, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.095, "ld50-zhu": 0.518, "herg": 0.252, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "2", "pAct_q10": 5.696989044483398, "aff_pf": 0.4120815495649974, "aff_hs": 0.8144123752911886, "repeats_pf": {"runs": 3, "values": [0.3334, 0.4304, 0.4724], "mean": 0.4121, "spread": 0.139}, "repeats_hs": {"runs": 3, "values": [0.8027, 0.8227, 0.8179], "mean": 0.8144, "spread": 0.02}, "at": 1786866091}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856938, "scored_at": 1786866091, "alerts": [], "rank": 3697}, {"candidate_id": "ODC-17515C", "res_at": 1786957889, "skeleton": "DPQNQIRIGRFMST", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.823, "axes": {"activity": 12.28, "binding": 10.18, "selectivity": 4.87, "admet": 2.93, "novelty": 1.11, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.337, "fraction": 0.409}, "binding": {"pIC50": 6.53, "LE": 0.358, "potency_term": 0.509, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.509}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.378, "herg": 0.117, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.783, "novelty": 0.217}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.3365525313048625, "aff_pf": -0.5276126166184744, "aff_hs": 0.42898327112197876, "repeats_pf": {"runs": 3, "values": [-0.4658, -0.5134, -0.6036], "mean": -0.5276, "spread": 0.1378}, "repeats_hs": {"runs": 3, "values": [0.4147, 0.4266, 0.4457], "mean": 0.429, "spread": 0.031}, "at": 1786957889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956425, "scored_at": 1786957889, "alerts": [], "rank": 3698}, {"candidate_id": "ODC-049C38", "res_at": 1786951890, "skeleton": "WYFXSXHSRGZBAN", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(=O··········cnc21", "total": 33.802, "axes": {"activity": 7.26, "binding": 9.95, "selectivity": 7.01, "admet": 3.78, "novelty": 3.5, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.036, "fraction": 0.242}, "binding": {"pIC50": 6.49, "LE": 0.356, "potency_term": 0.497, "efficiency_cap": 1.0}, "selectivity": {"fold": 25.6, "selectivity_term": 0.704, "target_engagement": 0.497}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.479, "cyp2c9-veith": 0.403, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.6, "herg": 0.225, "dili": 0.422}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.035725685913552, "aff_pf": -0.49202324946721393, "aff_hs": 0.9165221055348715, "repeats_pf": {"runs": 3, "values": [-0.7943, -0.3466, -0.3351], "mean": -0.492, "spread": 0.4592}, "repeats_hs": {"runs": 3, "values": [1.0335, 0.9273, 0.7887], "mean": 0.9165, "spread": 0.2449}, "at": 1786951890}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942842, "scored_at": 1786951890, "alerts": [], "rank": 3699}, {"candidate_id": "ODC-1EA6EA", "res_at": 1789359515, "skeleton": "DLIBUCQBSHUSCS", "hf_user": "Bio-JS", "display_name": "0914-S1-div18", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Cl", "total": 33.795, "axes": {"activity": 15.99, "binding": 7.74, "selectivity": 1.57, "admet": 2.85, "novelty": 3.23, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.533}, "binding": {"pIC50": 6.16, "LE": 0.338, "potency_term": 0.387, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.203, "target_engagement": 0.387}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.201, "ld50-zhu": 0.39, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.559504713889157, "aff_pf": -0.16054356594880423, "aff_hs": 0.24568550288677216, "repeats_pf": {"runs": 3, "values": [-0.1476, -0.1082, -0.2259], "mean": -0.1605, "spread": 0.1177}, "repeats_hs": {"runs": 3, "values": [0.032, 0.3233, 0.3818], "mean": 0.2457, "spread": 0.3498}, "at": 1789359515}, "tier": 1, "alerts": [], "total_sd": 0.447, "total_ci95": [32.822, 34.655], "relegate_reason": [], "submitted_at": 1789346145, "scored_at": 1789359515, "rank": 3700}, {"candidate_id": "ODC-60F648", "res_at": 1787394029, "skeleton": "CAVDDVWUNKBLFJ", "hf_user": "jlee277", "display_name": "Agent_KIM", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 33.776, "axes": {"activity": 12.62, "binding": 9.7, "selectivity": 3.12, "admet": 4.39, "novelty": 1.77, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.421}, "binding": {"pIC50": 6.45, "LE": 0.402, "potency_term": 0.485, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.322, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.466, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.987, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.388, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.357371780088772, "aff_pf": -0.4545518457889557, "aff_hs": 0.1891829272111257, "repeats_pf": {"runs": 3, "values": [-0.3637, -0.52, -0.48], "mean": -0.4546, "spread": 0.1564}, "repeats_hs": {"runs": 3, "values": [0.3409, 0.1492, 0.0775], "mean": 0.1892, "spread": 0.2633}, "at": 1787394029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787393768, "scored_at": 1787394029, "alerts": [], "rank": 3701}, {"candidate_id": "ODC-FE0D50", "res_at": 1789926959, "skeleton": "YWUBGVGPKMKFNI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 33.768, "axes": {"activity": 14.71, "binding": 6.95, "selectivity": 3.71, "admet": 4.33, "novelty": 2.37, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.04, "LE": 0.36, "potency_term": 0.348, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.348}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.979, "ld50-zhu": 0.463, "herg": 0.918, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "2", "pAct_q10": 5.482310176355604, "aff_pf": -0.04270516832669576, "aff_hs": 1.0245941877365112, "repeats_pf": {"runs": 3, "values": [0.0235, -0.0922, -0.0594], "mean": -0.0427, "spread": 0.1157}, "repeats_hs": {"runs": 3, "values": [1.0075, 0.9478, 1.1185], "mean": 1.0246, "spread": 0.1707}, "at": 1789926959}, "tier": 1, "alerts": [], "total_sd": 0.405, "total_ci95": [32.987, 34.484], "relegate_reason": [], "submitted_at": 1789918975, "scored_at": 1789926959, "rank": 3702}, {"candidate_id": "ODC-365613", "res_at": 1788538052, "skeleton": "MJVVRHGINRMVEV", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Cl", "total": 33.758, "axes": {"activity": 10.89, "binding": 11.89, "selectivity": 2.34, "admet": 4.35, "novelty": 1.31, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.254, "fraction": 0.363}, "binding": {"pIC50": 6.78, "LE": 0.387, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.197, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.225, "cyp3a4-substrate-carbonmangels": 0.397, "ld50-zhu": 0.425, "herg": 0.324, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.78, "novelty": 0.22}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.253547535241044, "aff_pf": -0.783542811870575, "aff_hs": -0.38919422030448914, "repeats_pf": {"runs": 3, "values": [-0.7262, -0.8111, -0.8134], "mean": -0.7835, "spread": 0.0871}, "repeats_hs": {"runs": 3, "values": [-0.376, -0.393, -0.3986], "mean": -0.3892, "spread": 0.0225}, "at": 1788538052}, "tier": 1, "alerts": [], "total_sd": 0.436, "total_ci95": [32.704, 34.352], "relegate_reason": [], "submitted_at": 1788495783, "scored_at": 1788538052, "rank": 3703}, {"candidate_id": "ODC-B8DB32", "res_at": 1786768997, "skeleton": "YRUVAYOKJDPUCJ", "hf_user": "aiqcamp", "display_name": "FKDKSA", "model_name": "Deepseek v4 flash", "mw_band": "350-400", "visibility": "public", "smiles": "COc1cc(Nc2cc(C)nc3nc(C(C)(F)F)nn23)ccc1Cl", "smiles_masked": null, "total": 33.72, "axes": {"activity": 11.76, "binding": 11.67, "selectivity": 1.94, "admet": 3.63, "novelty": 1.91, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 6.75, "LE": 0.385, "potency_term": 0.584, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.166, "target_engagement": 0.584}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.314, "herg": 0.36, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.30576291950177, "aff_pf": -0.7510981559753418, "aff_hs": -0.41845276951789856, "at": 1786768997}, "tier": 1, "relegate_reason": [], "submitted_at": 1786768506, "scored_at": 1786768997, "alerts": [], "rank": 3704}, {"candidate_id": "ODC-EB9C9B", "res_at": 1788089915, "skeleton": "JABSNFPIRJNUQN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc2··········)n2n1", "total": 33.701, "axes": {"activity": 5.1, "binding": 12.28, "selectivity": 6.44, "admet": 3.67, "novelty": 3.48, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 4.906, "fraction": 0.17}, "binding": {"pIC50": 6.84, "LE": 0.391, "potency_term": 0.614, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.58, "herg": 0.325, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 4.905950139387573, "aff_pf": -0.8425338864326477, "aff_hs": 0.20564218362172446, "repeats_pf": {"runs": 3, "values": [-0.7646, -1.0202, -0.7428], "mean": -0.8425, "spread": 0.2773}, "repeats_hs": {"runs": 3, "values": [0.2923, 0.1787, 0.146], "mean": 0.2056, "spread": 0.1463}, "at": 1788089915}, "tier": 1, "alerts": [], "total_sd": 1.61, "total_ci95": [31.505, 37.582], "relegate_reason": [], "submitted_at": 1788080523, "scored_at": 1788089915, "rank": 3705}, {"candidate_id": "ODC-54320E", "res_at": 1787068478, "skeleton": "PJESWAVDUQVEBE", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LA08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Oc··········)n2n1", "total": 33.675, "axes": {"activity": 14.32, "binding": 9.89, "selectivity": 1.85, "admet": 2.42, "novelty": 3.11, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 6.48, "LE": 0.317, "potency_term": 0.494, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.187, "target_engagement": 0.494}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.828, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.77, "ld50-zhu": 0.815, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.45924471985871, "aff_pf": -0.4832644959290822, "aff_hs": -0.10964603473742802, "repeats_pf": {"runs": 3, "values": [-0.376, -0.6619, -0.4119], "mean": -0.4833, "spread": 0.2859}, "repeats_hs": {"runs": 3, "values": [-0.3108, -0.1335, 0.1153], "mean": -0.1096, "spread": 0.4261}, "at": 1787068478}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064694, "scored_at": 1787068478, "alerts": [], "rank": 3706}, {"candidate_id": "ODC-53DA26", "res_at": 1787409923, "skeleton": "KBOPEOOUVZQUDU", "hf_user": "Ku-ku", "display_name": "E2_Slink", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(S··········nc2n1", "total": 33.674, "axes": {"activity": 20.78, "binding": 1.37, "selectivity": 0.0, "admet": 4.04, "novelty": 4.46, "synthesis": 3.02}, "detail": {"activity": {"pAct_q10": 5.847, "fraction": 0.693}, "binding": {"pIC50": 4.85, "LE": 0.302, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.636, "ld50-zhu": 0.306, "herg": 0.514, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.84672142277677, "aff_pf": 1.150235891342163, "aff_hs": 1.093486229578654, "repeats_pf": {"runs": 3, "values": [1.1899, 1.1228, 1.138], "mean": 1.1502, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [1.4012, 0.9123, 0.9669], "mean": 1.0935, "spread": 0.4889}, "at": 1787409923}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407690, "scored_at": 1787409923, "alerts": [], "rank": 3707}, {"candidate_id": "ODC-973A30", "res_at": 1786818365, "skeleton": "ZEGJAAGJWTZIAY", "hf_user": "ipsych", "display_name": "TPS-ScPr-4Cl3F", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.667, "axes": {"activity": 12.3, "binding": 11.42, "selectivity": 1.16, "admet": 3.51, "novelty": 2.6, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 6.71, "LE": 0.4, "potency_term": 0.571, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.571}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.502, "herg": 0.14, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.337705709601396, "aff_pf": -0.7128529747327169, "aff_hs": -0.510089377562205, "repeats_pf": {"runs": 3, "values": [-0.6508, -0.908, -0.5798], "mean": -0.7129, "spread": 0.3281}, "repeats_hs": {"runs": 3, "values": [-0.5205, -0.4497, -0.5601], "mean": -0.5101, "spread": 0.1104}, "at": 1786818365}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789749, "scored_at": 1786818365, "alerts": [], "rank": 3708}, {"candidate_id": "ODC-A020AC", "res_at": 1787425968, "skeleton": "LZAVJESSJQPJQB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 33.662, "axes": {"activity": 17.35, "binding": 7.33, "selectivity": 0.0, "admet": 2.28, "novelty": 4.09, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.641, "fraction": 0.578}, "binding": {"pIC50": 6.36, "LE": 0.242, "potency_term": 0.454, "efficiency_cap": 0.807}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.426, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.641175287456452, "aff_pf": -0.3628517687320709, "aff_hs": -0.5989034473896027, "repeats_pf": {"runs": 3, "values": [-0.4809, -0.045, -0.5627], "mean": -0.3629, "spread": 0.5177}, "repeats_hs": {"runs": 3, "values": [-0.4908, -0.6815, -0.6244], "mean": -0.5989, "spread": 0.1908}, "at": 1787425968}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424393, "scored_at": 1787425968, "alerts": [], "rank": 3709}, {"candidate_id": "ODC-1D8A3E", "res_at": 1786768845, "skeleton": "IQFWKJFQMICFKQ", "hf_user": "aiqcamp", "display_name": "FKDKSA", "model_name": "Deepseek v4 flash", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.64, "axes": {"activity": 8.61, "binding": 11.16, "selectivity": 5.66, "admet": 3.8, "novelty": 1.79, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.116, "fraction": 0.287}, "binding": {"pIC50": 6.67, "LE": 0.398, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.948, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.569, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.17, "herg": 0.705, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.116459613235917, "aff_pf": -0.6734775900840759, "aff_hs": 0.3408573269844055, "at": 1786768845}, "tier": 1, "relegate_reason": [], "submitted_at": 1786768492, "scored_at": 1786768845, "alerts": [], "rank": 3710}, {"candidate_id": "ODC-B8970B", "res_at": 1787347945, "skeleton": "ISGZZNNMGZNFRG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 33.626, "axes": {"activity": 10.52, "binding": 9.28, "selectivity": 6.73, "admet": 2.32, "novelty": 3.11, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 6.5, "LE": 0.278, "potency_term": 0.5, "efficiency_cap": 0.928}, "selectivity": {"fold": 22.2, "selectivity_term": 0.673, "target_engagement": 0.5}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 0.615, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.876, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.227, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.231453157362961, "aff_pf": -0.5007203817367554, "aff_hs": 0.844794750213623, "repeats_pf": {"runs": 3, "values": [-0.4758, -0.5901, -0.4362], "mean": -0.5007, "spread": 0.1539}, "repeats_hs": {"runs": 3, "values": [0.8718, 0.831, 0.8316], "mean": 0.8448, "spread": 0.0407}, "at": 1787347945}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347580, "scored_at": 1787347945, "alerts": [], "rank": 3711}, {"candidate_id": "ODC-B98729", "res_at": 1787424927, "skeleton": "LOXGRUTUPHWIJV", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 33.625, "axes": {"activity": 18.33, "binding": 5.63, "selectivity": 0.43, "admet": 2.53, "novelty": 4.07, "synthesis": 2.62}, "detail": {"activity": {"pAct_q10": 5.7, "fraction": 0.611}, "binding": {"pIC50": 6.14, "LE": 0.222, "potency_term": 0.381, "efficiency_cap": 0.738}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.381}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.852, "ld50-zhu": 0.78, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.699802396783223, "aff_pf": -0.1441032588481903, "aff_hs": -0.030577664573987324, "repeats_pf": {"runs": 3, "values": [-0.1602, -0.1278, -0.1443], "mean": -0.1441, "spread": 0.0324}, "repeats_hs": {"runs": 3, "values": [-0.5089, 0.3813, 0.0359], "mean": -0.0306, "spread": 0.8903}, "at": 1787424927}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424289, "scored_at": 1787424927, "alerts": [], "rank": 3712}, {"candidate_id": "ODC-77216F", "res_at": 1787436639, "skeleton": "FKIHEJOLNZYNBG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 33.616, "axes": {"activity": 16.96, "binding": 5.41, "selectivity": 3.08, "admet": 2.37, "novelty": 3.82, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.565}, "binding": {"pIC50": 6.03, "LE": 0.236, "potency_term": 0.344, "efficiency_cap": 0.787}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.344}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.911, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.468, "herg": 0.05, "dili": 0.194}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.6177148990855, "aff_pf": -0.03195160627365112, "aff_hs": 0.8628062009811401, "repeats_pf": {"runs": 3, "values": [-0.0333, -0.2827, 0.2201], "mean": -0.032, "spread": 0.5028}, "repeats_hs": {"runs": 3, "values": [0.6785, 0.6276, 1.2823], "mean": 0.8628, "spread": 0.6547}, "at": 1787436639}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436290, "scored_at": 1787436639, "alerts": [], "rank": 3713}, {"candidate_id": "ODC-3F2F64", "res_at": 1787583625, "skeleton": "QVJMPQXJOHVXDJ", "hf_user": "takutoyo", "display_name": "PfD17-08", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 33.61, "axes": {"activity": 19.9, "binding": 4.62, "selectivity": 0.0, "admet": 2.31, "novelty": 4.66, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.794, "fraction": 0.663}, "binding": {"pIC50": 5.95, "LE": 0.22, "potency_term": 0.315, "efficiency_cap": 0.734}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.315}, "admet": {"geometric_mean": 0.232, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.145}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.79390908681659, "aff_pf": 0.05473858118057251, "aff_hs": -0.39056753118832904, "repeats_pf": {"runs": 3, "values": [0.2346, -0.0142, -0.0561], "mean": 0.0547, "spread": 0.2907}, "repeats_hs": {"runs": 3, "values": [-0.2641, -0.3775, -0.5301], "mean": -0.3906, "spread": 0.266}, "at": 1787583625}, "tier": 1, "relegate_reason": [], "submitted_at": 1787581728, "scored_at": 1787583625, "alerts": [], "rank": 3714}, {"candidate_id": "ODC-3E590E", "res_at": 1789564370, "skeleton": "NNMUMBHDQNRZKA", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 33.587, "axes": {"activity": 13.88, "binding": 9.06, "selectivity": 3.08, "admet": 3.38, "novelty": 2.96, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.47, "LE": 0.277, "potency_term": 0.49, "efficiency_cap": 0.924}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.49}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.513, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.89, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "0", "pAct_q10": 5.432647052232603, "aff_pf": -0.47136154770851135, "aff_hs": 0.15639975666999817, "repeats_pf": {"runs": 3, "values": [-0.5461, -0.3977, -0.4703], "mean": -0.4714, "spread": 0.1485}, "repeats_hs": {"runs": 3, "values": [0.2011, 0.105, 0.1631], "mean": 0.1564, "spread": 0.096}, "at": 1789564370}, "tier": 1, "alerts": [], "total_sd": 0.628, "total_ci95": [32.726, 35.073], "relegate_reason": [], "submitted_at": 1789563115, "scored_at": 1789564370, "rank": 3715}, {"candidate_id": "ODC-E36B0B", "res_at": 1788424181, "skeleton": "BJDQXPMNGNLOTK", "hf_user": "Bio-JS", "display_name": "0903-S1-01 P0/cPr/morph", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.585, "axes": {"activity": 18.06, "binding": 5.84, "selectivity": 0.39, "admet": 2.59, "novelty": 3.87, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.684, "fraction": 0.602}, "binding": {"pIC50": 6.05, "LE": 0.251, "potency_term": 0.349, "efficiency_cap": 0.837}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.349}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 0.96, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.09, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.592}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.683508698751109, "aff_pf": -0.046495104829470314, "aff_hs": 0.06510921816031139, "repeats_pf": {"runs": 3, "values": [-0.0455, -0.0817, -0.0123], "mean": -0.0465, "spread": 0.0694}, "repeats_hs": {"runs": 3, "values": [0.016, 0.0177, 0.1616], "mean": 0.0651, "spread": 0.1456}, "at": 1788424181}, "tier": 1, "alerts": [], "total_sd": 0.227, "total_ci95": [33.181, 33.999], "relegate_reason": [], "submitted_at": 1788362647, "scored_at": 1788424181, "rank": 3716}, {"candidate_id": "ODC-E93F83", "res_at": 1787561993, "skeleton": "QAZDNMUWMRZAPE", "hf_user": "Moonweave", "display_name": "M5AI-WA-S2", "model_name": "OpenAI Codex — private diagnostic", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········nc2n1", "total": 33.563, "axes": {"activity": 15.55, "binding": 7.45, "selectivity": 3.73, "admet": 3.46, "novelty": 1.47, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.533, "fraction": 0.518}, "binding": {"pIC50": 6.15, "LE": 0.291, "potency_term": 0.385, "efficiency_cap": 0.969}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.441, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.786, "ld50-zhu": 0.648, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.717, "novelty": 0.283}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.533149115596359, "aff_pf": -0.1536838561296463, "aff_hs": 0.8162936170895895, "repeats_pf": {"runs": 3, "values": [-0.1476, -0.1156, -0.1979], "mean": -0.1537, "spread": 0.0824}, "repeats_hs": {"runs": 3, "values": [0.7475, 0.8206, 0.8808], "mean": 0.8163, "spread": 0.1334}, "at": 1787561993}, "tier": 1, "relegate_reason": [], "submitted_at": 1787553321, "scored_at": 1787561993, "alerts": [], "rank": 3717}, {"candidate_id": "ODC-EBF6F8", "res_at": 1786960779, "skeleton": "XEMORGBAZFHJNJ", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C1CC1", "total": 33.56, "axes": {"activity": 13.56, "binding": 9.59, "selectivity": 2.3, "admet": 3.21, "novelty": 2.86, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.414, "fraction": 0.452}, "binding": {"pIC50": 6.44, "LE": 0.327, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.248, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.885, "herg": 0.329, "dili": 0.21}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.4138989356175315, "aff_pf": -0.43894608815511066, "aff_hs": 0.04144007960955302, "repeats_pf": {"runs": 3, "values": [-0.4135, -0.5378, -0.3655], "mean": -0.4389, "spread": 0.1723}, "repeats_hs": {"runs": 3, "values": [0.0101, 0.035, 0.0792], "mean": 0.0414, "spread": 0.0691}, "at": 1786960779}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959801, "scored_at": 1786960779, "alerts": [], "rank": 3718}, {"candidate_id": "ODC-2187B1", "res_at": 1788809347, "skeleton": "OUTXNRAGKJGZML", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.558, "axes": {"activity": 8.24, "binding": 12.04, "selectivity": 4.84, "admet": 3.43, "novelty": 2.26, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.094, "fraction": 0.275}, "binding": {"pIC50": 6.81, "LE": 0.373, "potency_term": 0.602, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.402, "target_engagement": 0.602}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.546, "herg": 0.05, "dili": 0.137}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.094324776640765, "aff_pf": -0.8057351311047872, "aff_hs": -0.002294828494389852, "repeats_pf": {"runs": 3, "values": [-0.8038, -0.8067, -0.8066], "mean": -0.8057, "spread": 0.0029}, "repeats_hs": {"runs": 3, "values": [0.0369, 0.0044, -0.0482], "mean": -0.0023, "spread": 0.0851}, "at": 1788809347}, "tier": 1, "alerts": [], "total_sd": 0.119, "total_ci95": [33.367, 33.793], "relegate_reason": [], "submitted_at": 1788737603, "scored_at": 1788809347, "rank": 3719}, {"candidate_id": "ODC-989978", "res_at": 1789355134, "skeleton": "XDQYYAKUKURJGN", "hf_user": "Bio-JS", "display_name": "0914-S1-div12", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 33.556, "axes": {"activity": 12.21, "binding": 7.72, "selectivity": 6.53, "admet": 3.19, "novelty": 2.14, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.333, "fraction": 0.407}, "binding": {"pIC50": 6.16, "LE": 0.384, "potency_term": 0.386, "efficiency_cap": 1.0}, "selectivity": {"fold": 49.1, "selectivity_term": 0.845, "target_engagement": 0.386}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.619, "cyp3a4-substrate-carbonmangels": 0.431, "ld50-zhu": 0.353, "herg": 0.386, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.332502474060915, "aff_pf": -0.1584857776761055, "aff_hs": 1.5322068929672241, "repeats_pf": {"runs": 3, "values": [-0.1145, -0.2142, -0.1468], "mean": -0.1585, "spread": 0.0997}, "repeats_hs": {"runs": 3, "values": [1.5925, 1.6064, 1.3977], "mean": 1.5322, "spread": 0.2087}, "at": 1789355134}, "tier": 1, "alerts": [], "total_sd": 0.448, "total_ci95": [32.685, 34.485], "relegate_reason": [], "submitted_at": 1789346117, "scored_at": 1789355134, "rank": 3720}, {"candidate_id": "ODC-4581B8", "res_at": 1786804061, "skeleton": "CNYMZFVEZJPXDJ", "hf_user": "ipsych", "display_name": "TP-4I-3I", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.539, "axes": {"activity": 16.43, "binding": 9.29, "selectivity": 0.0, "admet": 3.82, "novelty": 1.69, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 6.39, "LE": 0.381, "potency_term": 0.464, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.464}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.569, "ld50-zhu": 0.394, "herg": 0.572, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.692, "novelty": 0.308}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.586094170065599, "aff_pf": -0.3934796949227651, "aff_hs": -0.4294898311297099, "repeats_pf": {"runs": 3, "values": [-0.3902, -0.4059, -0.3844], "mean": -0.3935, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [-0.3823, -0.3951, -0.511], "mean": -0.4295, "spread": 0.1287}, "at": 1786804061}, "tier": 1, "relegate_reason": [], "submitted_at": 1786786704, "scored_at": 1786804061, "alerts": [], "rank": 3721}, {"candidate_id": "ODC-A7948C", "res_at": 1787494271, "skeleton": "FCDSJJAXWHWIJD", "hf_user": "takutoyo", "display_name": "PfD15-14", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 33.529, "axes": {"activity": 10.8, "binding": 13.8, "selectivity": 0.0, "admet": 2.35, "novelty": 4.52, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 7.35, "LE": 0.265, "potency_term": 0.782, "efficiency_cap": 0.883}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.843, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.91}}, "run": {"gpu": "3", "pAct_q10": 5.248110543263102, "aff_pf": -1.3454567591349285, "aff_hs": -1.34763769308726, "repeats_pf": {"runs": 3, "values": [-1.3353, -1.3727, -1.3284], "mean": -1.3455, "spread": 0.0443}, "repeats_hs": {"runs": 3, "values": [-1.3262, -1.3935, -1.3232], "mean": -1.3476, "spread": 0.0703}, "at": 1787494271}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491626, "scored_at": 1787494271, "alerts": [], "rank": 3722}, {"candidate_id": "ODC-1F74DB", "res_at": 1789005061, "skeleton": "OLBSRQWNFBOVGK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(I··········cc1Cl", "total": 33.528, "axes": {"activity": 14.72, "binding": 6.18, "selectivity": 3.26, "admet": 3.79, "novelty": 3.48, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.483, "fraction": 0.491}, "binding": {"pIC50": 5.93, "LE": 0.338, "potency_term": 0.309, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.527, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.565, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.438, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.639}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.483022268375796, "aff_pf": 0.07262701789538066, "aff_hs": 1.1267075538635254, "repeats_pf": {"runs": 3, "values": [0.0951, 0.1017, 0.0212], "mean": 0.0726, "spread": 0.0805}, "repeats_hs": {"runs": 3, "values": [1.1414, 1.0464, 1.1923], "mean": 1.1267, "spread": 0.1459}, "at": 1789005061}, "tier": 1, "alerts": [], "total_sd": 0.305, "total_ci95": [33.056, 34.219], "relegate_reason": [], "submitted_at": 1789002357, "scored_at": 1789005061, "rank": 3723}, {"candidate_id": "ODC-EB8D3A", "res_at": 1787279244, "skeleton": "LYIRQVJFEZDLTE", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 33.507, "axes": {"activity": 13.14, "binding": 8.87, "selectivity": 4.02, "admet": 3.23, "novelty": 2.61, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.438}, "binding": {"pIC50": 6.33, "LE": 0.334, "potency_term": 0.444, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.453, "target_engagement": 0.444}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.512, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.406, "herg": 0.523, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.388515198280981, "aff_pf": -0.33084632953008014, "aff_hs": 0.5747580329577128, "repeats_pf": {"runs": 3, "values": [-0.2531, -0.3267, -0.4127], "mean": -0.3308, "spread": 0.1596}, "repeats_hs": {"runs": 3, "values": [0.5963, 0.614, 0.514], "mean": 0.5748, "spread": 0.0999}, "at": 1787279244}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276133, "scored_at": 1787279244, "alerts": [], "rank": 3724}, {"candidate_id": "ODC-86E14E", "res_at": 1789364765, "skeleton": "BUROAEAIYVGWFM", "hf_user": "Bio-JS", "display_name": "0914-S1-div25", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 33.503, "axes": {"activity": 14.49, "binding": 7.68, "selectivity": 2.5, "admet": 3.52, "novelty": 3.11, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.47, "fraction": 0.483}, "binding": {"pIC50": 6.15, "LE": 0.351, "potency_term": 0.384, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.501, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.362, "herg": 0.264, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.4695574080778595, "aff_pf": -0.15213422228892645, "aff_hs": 0.49878305196762085, "repeats_pf": {"runs": 3, "values": [-0.1099, -0.1207, -0.2257], "mean": -0.1521, "spread": 0.1158}, "repeats_hs": {"runs": 3, "values": [0.5338, 0.4922, 0.4704], "mean": 0.4988, "spread": 0.0634}, "at": 1789364765}, "tier": 1, "alerts": [], "total_sd": 0.382, "total_ci95": [32.957, 34.367], "relegate_reason": [], "submitted_at": 1789346178, "scored_at": 1789364765, "rank": 3725}, {"candidate_id": "ODC-9983A3", "res_at": 1787426162, "skeleton": "DBZOAWTXQHUXBQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 33.501, "axes": {"activity": 17.74, "binding": 4.77, "selectivity": 2.2, "admet": 2.58, "novelty": 3.64, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.664, "fraction": 0.591}, "binding": {"pIC50": 5.97, "LE": 0.221, "potency_term": 0.324, "efficiency_cap": 0.737}, "selectivity": {"fold": 4.8, "selectivity_term": 0.341, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.622, "ld50-zhu": 0.804, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.664404190326164, "aff_pf": 0.029499918222427368, "aff_hs": 0.7108882268269857, "repeats_pf": {"runs": 3, "values": [-0.1175, 0.166, 0.04], "mean": 0.0295, "spread": 0.2836}, "repeats_hs": {"runs": 3, "values": [0.7125, 0.71, 0.7102], "mean": 0.7109, "spread": 0.0024}, "at": 1787426162}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424413, "scored_at": 1787426162, "alerts": [], "rank": 3726}, {"candidate_id": "ODC-3E8B51", "res_at": 1790024410, "skeleton": "KSEVUQZCNKSSAK", "hf_user": "Dinesh4311", "display_name": "Dinesh4311", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 33.489, "axes": {"activity": 15.74, "binding": 6.93, "selectivity": 3.49, "admet": 1.81, "novelty": 2.98, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 6.24, "LE": 0.251, "potency_term": 0.413, "efficiency_cap": 0.838}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.413}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.676, "herg": 0.05, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.544528593648259, "aff_pf": -0.24001769224802652, "aff_hs": 0.6039937933286031, "repeats_pf": {"runs": 3, "values": [-0.2589, -0.2568, -0.2044], "mean": -0.24, "spread": 0.0545}, "repeats_hs": {"runs": 3, "values": [0.5558, 0.6315, 0.6247], "mean": 0.604, "spread": 0.0757}, "at": 1790024410}, "tier": 1, "alerts": [], "total_sd": 0.216, "total_ci95": [33.008, 33.844], "relegate_reason": [], "submitted_at": 1790013466, "scored_at": 1790024410, "rank": 3727}, {"candidate_id": "ODC-CF380C", "res_at": 1789021312, "skeleton": "KGQWUGPDDYPPJM", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1c(··········F)c1I", "total": 33.474, "axes": {"activity": 19.52, "binding": 2.3, "selectivity": 0.7, "admet": 3.62, "novelty": 4.77, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.771, "fraction": 0.651}, "binding": {"pIC50": 5.38, "LE": 0.273, "potency_term": 0.127, "efficiency_cap": 0.91}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.127}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.529, "herg": 0.05, "dili": 0.441}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.771376977847625, "aff_pf": 0.6201259593168894, "aff_hs": 1.1750985383987427, "repeats_pf": {"runs": 3, "values": [0.5679, 0.4492, 0.8432], "mean": 0.6201, "spread": 0.394}, "repeats_hs": {"runs": 3, "values": [1.1943, 1.2917, 1.0393], "mean": 1.1751, "spread": 0.2524}, "at": 1789021312}, "tier": 1, "alerts": [], "total_sd": 0.918, "total_ci95": [31.552, 35.187], "relegate_reason": [], "submitted_at": 1789019982, "scored_at": 1789021312, "rank": 3728}, {"candidate_id": "ODC-185884", "res_at": 1788547264, "skeleton": "BZVHRGHOAMWXKN", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.473, "axes": {"activity": 9.8, "binding": 10.7, "selectivity": 4.85, "admet": 3.68, "novelty": 2.4, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.327}, "binding": {"pIC50": 6.6, "LE": 0.377, "potency_term": 0.535, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.453, "target_engagement": 0.535}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.537, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.622, "herg": 0.252, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 5.187816771062943, "aff_pf": -0.6049375732739767, "aff_hs": 0.3019430339336395, "repeats_pf": {"runs": 3, "values": [-0.6373, -0.5914, -0.5861], "mean": -0.6049, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [0.3991, 0.2793, 0.2274], "mean": 0.3019, "spread": 0.1716}, "at": 1788547264}, "tier": 1, "alerts": [], "total_sd": 0.336, "total_ci95": [32.793, 34.126], "relegate_reason": [], "submitted_at": 1788495847, "scored_at": 1788547264, "rank": 3729}, {"candidate_id": "ODC-A762A8", "res_at": 1787131523, "skeleton": "LJLMCXNVQAZCLZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········3)CC1", "total": 33.457, "axes": {"activity": 14.95, "binding": 8.76, "selectivity": 0.78, "admet": 3.61, "novelty": 2.99, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.497, "fraction": 0.498}, "binding": {"pIC50": 6.54, "LE": 0.256, "potency_term": 0.514, "efficiency_cap": 0.853}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.514}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.583, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.501, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.733, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.497230830843356, "aff_pf": -0.5405701622366905, "aff_hs": -0.38947556416193646, "repeats_pf": {"runs": 3, "values": [0.0175, -0.8822, -0.7571], "mean": -0.5406, "spread": 0.8997}, "repeats_hs": {"runs": 3, "values": [-0.6318, -0.2413, -0.2953], "mean": -0.3895, "spread": 0.3905}, "at": 1787131523}, "tier": 1, "relegate_reason": [], "submitted_at": 1787125155, "scored_at": 1787131523, "alerts": [], "rank": 3730}, {"candidate_id": "ODC-D65E27", "res_at": 1786968802, "skeleton": "GMCBMYVPHPGZPR", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········C1CC1", "total": 33.445, "axes": {"activity": 13.89, "binding": 9.78, "selectivity": 4.18, "admet": 2.63, "novelty": 1.49, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.57, "LE": 0.281, "potency_term": 0.522, "efficiency_cap": 0.937}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.522}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.952, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.826, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "2", "pAct_q10": 5.433467099895316, "aff_pf": -0.5661335786183676, "aff_hs": 0.23442496110995611, "repeats_pf": {"runs": 3, "values": [-0.5325, -0.6604, -0.5055], "mean": -0.5661, "spread": 0.1549}, "repeats_hs": {"runs": 3, "values": [-0.0088, 0.3736, 0.3385], "mean": 0.2344, "spread": 0.3825}, "at": 1786968802}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968309, "scored_at": 1786968802, "alerts": [], "rank": 3731}, {"candidate_id": "ODC-0803AE", "res_at": 1788224185, "skeleton": "DLGCGMXCFOWRJF", "hf_user": "Bio-JS", "display_name": "0901-S1 파라 CN x 설폭사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.423, "axes": {"activity": 15.91, "binding": 8.22, "selectivity": 1.39, "admet": 2.22, "novelty": 3.32, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 6.36, "LE": 0.272, "potency_term": 0.453, "efficiency_cap": 0.907}, "selectivity": {"fold": 2.0, "selectivity_term": 0.154, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.554328584412295, "aff_pf": -0.35810484488805133, "aff_hs": -0.05086365342140198, "repeats_pf": {"runs": 3, "values": [-0.4059, -0.3755, -0.2929], "mean": -0.3581, "spread": 0.113}, "repeats_hs": {"runs": 3, "values": [-0.0866, -0.0541, -0.0118], "mean": -0.0509, "spread": 0.0748}, "at": 1788224185}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [32.882, 34.049], "relegate_reason": [], "submitted_at": 1788222313, "scored_at": 1788224185, "rank": 3732}, {"candidate_id": "ODC-6AF865", "res_at": 1787575599, "skeleton": "OHQMZRGXLASPME", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.421, "axes": {"activity": 9.26, "binding": 11.17, "selectivity": 4.1, "admet": 4.31, "novelty": 2.55, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.155, "fraction": 0.309}, "binding": {"pIC50": 6.68, "LE": 0.352, "potency_term": 0.558, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.367, "target_engagement": 0.558}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.766, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.692}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 5.155309622533503, "aff_pf": -0.675299346446991, "aff_hs": 0.058848838011423744, "repeats_pf": {"runs": 3, "values": [-0.7193, -0.6708, -0.6358], "mean": -0.6753, "spread": 0.0836}, "repeats_hs": {"runs": 3, "values": [0.1046, -0.1145, 0.1865], "mean": 0.0588, "spread": 0.301}, "at": 1787575599}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575015, "scored_at": 1787575599, "alerts": [], "rank": 3733}, {"candidate_id": "ODC-939CE0", "res_at": 1788771880, "skeleton": "FDTQLSJXLNKINY", "hf_user": "Bio-JS", "display_name": "0906-S1-19 SMe/CN/R6-Cl/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 33.421, "axes": {"activity": 11.57, "binding": 10.06, "selectivity": 4.17, "admet": 2.65, "novelty": 2.84, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.386}, "binding": {"pIC50": 6.51, "LE": 0.388, "potency_term": 0.503, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.503}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.394, "herg": 0.505, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.293945009012843, "aff_pf": -0.509252667427063, "aff_hs": 0.31878071029980976, "repeats_pf": {"runs": 3, "values": [-0.5662, -0.4488, -0.5128], "mean": -0.5093, "spread": 0.1174}, "repeats_hs": {"runs": 3, "values": [0.2515, 0.4388, 0.2661], "mean": 0.3188, "spread": 0.1873}, "at": 1788771880}, "tier": 1, "alerts": [], "total_sd": 0.574, "total_ci95": [32.23, 34.518], "relegate_reason": [], "submitted_at": 1788666025, "scored_at": 1788771880, "rank": 3734}, {"candidate_id": "ODC-5C75A4", "res_at": 1789185777, "skeleton": "UXNZXWJUQJLXSZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.419, "axes": {"activity": 8.04, "binding": 13.7, "selectivity": 1.37, "admet": 4.12, "novelty": 3.48, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.083, "fraction": 0.268}, "binding": {"pIC50": 7.06, "LE": 0.358, "potency_term": 0.685, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.685}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.462, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.507, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.082543593546982, "aff_pf": -1.055179476737976, "aff_hs": -0.8556814392407736, "repeats_pf": {"runs": 3, "values": [-1.0303, -1.0871, -1.0481], "mean": -1.0552, "spread": 0.0569}, "repeats_hs": {"runs": 3, "values": [-0.8492, -0.828, -0.8899], "mean": -0.8557, "spread": 0.0619}, "at": 1789185777}, "tier": 1, "alerts": [], "total_sd": 0.281, "total_ci95": [32.944, 33.975], "relegate_reason": [], "submitted_at": 1789174472, "scored_at": 1789185777, "rank": 3735}, {"candidate_id": "ODC-33D23E", "res_at": 1787162128, "skeleton": "BWLDZQSEVUCAHC", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········2)c1C", "total": 33.372, "axes": {"activity": 15.93, "binding": 7.78, "selectivity": 2.08, "admet": 2.9, "novelty": 2.01, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.556, "fraction": 0.531}, "binding": {"pIC50": 6.3, "LE": 0.27, "potency_term": 0.433, "efficiency_cap": 0.899}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.948, "ld50-zhu": 0.68, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.621, "novelty": 0.379}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 5.556055641309991, "aff_pf": -0.29856786131858826, "aff_hs": 0.18236819903055826, "repeats_pf": {"runs": 3, "values": [-0.3, -0.3367, -0.259], "mean": -0.2986, "spread": 0.0776}, "repeats_hs": {"runs": 3, "values": [0.1691, -0.2053, 0.5833], "mean": 0.1824, "spread": 0.7887}, "at": 1787162128}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151308, "scored_at": 1787162128, "alerts": [], "rank": 3736}, {"candidate_id": "ODC-EE908C", "res_at": 1789232344, "skeleton": "FBEVWJBQQNWYGT", "hf_user": "Bio-JS", "display_name": "0913-S1-div09", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1C", "total": 33.369, "axes": {"activity": 12.53, "binding": 9.27, "selectivity": 3.98, "admet": 3.09, "novelty": 2.36, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 6.39, "LE": 0.381, "potency_term": 0.463, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.095, "ld50-zhu": 0.322, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.351727312791008, "aff_pf": -0.3900078932444255, "aff_hs": 0.4698034922281901, "repeats_pf": {"runs": 3, "values": [-0.4038, -0.4395, -0.3268], "mean": -0.39, "spread": 0.1127}, "repeats_hs": {"runs": 3, "values": [0.4746, 0.4521, 0.4827], "mean": 0.4698, "spread": 0.0306}, "at": 1789232344}, "tier": 1, "alerts": [], "total_sd": 0.574, "total_ci95": [32.13, 34.336], "relegate_reason": [], "submitted_at": 1789226309, "scored_at": 1789232344, "rank": 3737}, {"candidate_id": "ODC-18E7C5", "res_at": 1787123233, "skeleton": "KUMKTHKWHMJXFK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 33.354, "axes": {"activity": 15.91, "binding": 6.83, "selectivity": 1.37, "admet": 3.45, "novelty": 3.29, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 6.26, "LE": 0.245, "potency_term": 0.418, "efficiency_cap": 0.816}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.121, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.444, "ld50-zhu": 0.73, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.554385691893039, "aff_pf": -0.2553471823533376, "aff_hs": 0.07221669455369313, "repeats_pf": {"runs": 3, "values": [-0.6051, 0.21, -0.3709], "mean": -0.2553, "spread": 0.815}, "repeats_hs": {"runs": 3, "values": [-0.0157, -0.0875, 0.3198], "mean": 0.0722, "spread": 0.4073}, "at": 1787123233}, "tier": 1, "relegate_reason": [], "submitted_at": 1787105964, "scored_at": 1787123233, "alerts": [], "rank": 3738}, {"candidate_id": "ODC-A882FE", "res_at": 1789336437, "skeleton": "JNZYEACJHJLZHW", "hf_user": "trblnfxn", "display_name": "SEED-11-Benzodioxole", "model_name": "Hermes-Hybrid-NonTP-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········)OCO3", "total": 33.34, "axes": {"activity": 8.39, "binding": 10.99, "selectivity": 6.24, "admet": 3.49, "novelty": 1.57, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.103, "fraction": 0.28}, "binding": {"pIC50": 6.65, "LE": 0.38, "potency_term": 0.55, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.6, "selectivity_term": 0.567, "target_engagement": 0.55}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.362, "ld50-zhu": 0.343, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.714, "novelty": 0.286}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.103432794850839, "aff_pf": -0.6488969326019287, "aff_hs": 0.4859031041463216, "repeats_pf": {"runs": 3, "values": [-0.6318, -0.6559, -0.659], "mean": -0.6489, "spread": 0.0272}, "repeats_hs": {"runs": 3, "values": [0.5349, 0.4228, 0.5], "mean": 0.4859, "spread": 0.1121}, "at": 1789336437}, "tier": 1, "alerts": [], "total_sd": 0.202, "total_ci95": [32.925, 33.734], "relegate_reason": [], "submitted_at": 1789327662, "scored_at": 1789336437, "rank": 3739}, {"candidate_id": "ODC-303D09", "res_at": 1787564495, "skeleton": "CFBMJGNBIDANRG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 33.314, "axes": {"activity": 15.17, "binding": 8.19, "selectivity": 0.0, "admet": 4.51, "novelty": 3.88, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.25, "LE": 0.295, "potency_term": 0.416, "efficiency_cap": 0.984}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.416}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 0.988, "pgp-broccatelli": 0.525, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "3", "pAct_q10": 5.510124454896396, "aff_pf": -0.24888190627098083, "aff_hs": -0.3614126741886139, "repeats_pf": {"runs": 3, "values": [-0.2717, -0.2078, -0.2672], "mean": -0.2489, "spread": 0.064}, "repeats_hs": {"runs": 3, "values": [-0.4161, -0.2988, -0.3693], "mean": -0.3614, "spread": 0.1173}, "at": 1787564495}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556885, "scored_at": 1787564495, "alerts": [], "rank": 3740}, {"candidate_id": "ODC-D76936", "res_at": 1786957523, "skeleton": "YYMWHXGATWZIBW", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.313, "axes": {"activity": 13.99, "binding": 8.7, "selectivity": 4.01, "admet": 2.74, "novelty": 1.72, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 6.3, "LE": 0.32, "potency_term": 0.435, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.461, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.555, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.439453917827801, "aff_pf": -0.30478717883427936, "aff_hs": 0.6165099938710531, "repeats_pf": {"runs": 3, "values": [-0.4791, -0.258, -0.1773], "mean": -0.3048, "spread": 0.3018}, "repeats_hs": {"runs": 3, "values": [0.5818, 0.5792, 0.6885], "mean": 0.6165, "spread": 0.1093}, "at": 1786957523}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956373, "scored_at": 1786957523, "alerts": [], "rank": 3741}, {"candidate_id": "ODC-18557D", "res_at": 1787871596, "skeleton": "YLKUVTKTTJMJDS", "hf_user": "Bio-JS", "display_name": "가지: 하이드록시 (직결)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.308, "axes": {"activity": 18.63, "binding": 5.03, "selectivity": 0.21, "admet": 2.84, "novelty": 4.06, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.718, "fraction": 0.621}, "binding": {"pIC50": 5.99, "LE": 0.228, "potency_term": 0.331, "efficiency_cap": 0.76}, "selectivity": {"fold": 1.2, "selectivity_term": 0.032, "target_engagement": 0.331}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.479, "caco2-wang": 0.289, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.276, "herg": 0.05, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.718049843872524, "aff_pf": 0.00825969378153483, "aff_hs": 0.07303748528162639, "repeats_pf": {"runs": 3, "values": [0.032, -0.0693, 0.0621], "mean": 0.0083, "spread": 0.1314}, "repeats_hs": {"runs": 3, "values": [0.1125, 0.0349, 0.0717], "mean": 0.073, "spread": 0.0776}, "at": 1787850366}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795902, "scored_at": 1787850366, "alerts": [], "rank": 3742}, {"candidate_id": "ODC-7D0173", "res_at": 1788157401, "skeleton": "PDIUPSZHTPEAFM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 33.307, "axes": {"activity": 12.57, "binding": 13.49, "selectivity": 0.0, "admet": 3.16, "novelty": 1.87, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.354, "fraction": 0.419}, "binding": {"pIC50": 7.02, "LE": 0.31, "potency_term": 0.674, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.674}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.93, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "0", "pAct_q10": 5.354212049308764, "aff_pf": -1.0227651000022888, "aff_hs": -1.342573841412862, "repeats_pf": {"runs": 3, "values": [-0.9495, -1.1378, -0.981], "mean": -1.0228, "spread": 0.1883}, "repeats_hs": {"runs": 3, "values": [-1.3181, -1.3337, -1.3759], "mean": -1.3426, "spread": 0.0578}, "at": 1788157401}, "tier": 1, "alerts": [], "total_sd": 0.483, "total_ci95": [32.556, 34.486], "relegate_reason": [], "submitted_at": 1788145101, "scored_at": 1788157401, "rank": 3743}, {"candidate_id": "ODC-62E052", "res_at": 1788910994, "skeleton": "SJTBYYTWBPDVQB", "hf_user": "Bio-JS", "display_name": "0909-S1-20", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 33.304, "axes": {"activity": 11.42, "binding": 9.22, "selectivity": 4.48, "admet": 3.69, "novelty": 3.03, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.381}, "binding": {"pIC50": 6.38, "LE": 0.35, "potency_term": 0.461, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.461}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.507, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.873, "cyp3a4-substrate-carbonmangels": 0.108, "ld50-zhu": 0.343, "herg": 0.795, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.285322712723719, "aff_pf": -0.3829353352387746, "aff_hs": 0.5884601473808289, "repeats_pf": {"runs": 3, "values": [-0.3294, -0.367, -0.4524], "mean": -0.3829, "spread": 0.1229}, "repeats_hs": {"runs": 3, "values": [0.4549, 0.7546, 0.5559], "mean": 0.5885, "spread": 0.2997}, "at": 1788910994}, "tier": 1, "alerts": [], "total_sd": 0.666, "total_ci95": [32.176, 34.74], "relegate_reason": [], "submitted_at": 1788902909, "scored_at": 1788910994, "rank": 3744}, {"candidate_id": "ODC-F6A4F4", "res_at": 1787497522, "skeleton": "RPJMSCFLLPKLDW", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········c2)o1", "total": 33.286, "axes": {"activity": 15.81, "binding": 6.83, "selectivity": 2.77, "admet": 2.51, "novelty": 3.57, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.548, "fraction": 0.527}, "binding": {"pIC50": 6.29, "LE": 0.239, "potency_term": 0.428, "efficiency_cap": 0.797}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 0.74, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.986, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.464, "herg": 0.339, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.548363695565614, "aff_pf": -0.2853814419358969, "aff_hs": 0.36040152112642926, "repeats_pf": {"runs": 3, "values": [-0.4373, -0.4217, 0.0029], "mean": -0.2854, "spread": 0.4402}, "repeats_hs": {"runs": 3, "values": [0.3129, 0.3998, 0.3685], "mean": 0.3604, "spread": 0.0869}, "at": 1787497522}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491770, "scored_at": 1787497522, "alerts": [], "rank": 3745}, {"candidate_id": "ODC-C58280", "res_at": 1787134898, "skeleton": "BZBDLZSHHKKQPE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 33.282, "axes": {"activity": 13.03, "binding": 13.02, "selectivity": 0.25, "admet": 3.56, "novelty": 1.3, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.434}, "binding": {"pIC50": 6.95, "LE": 0.307, "potency_term": 0.651, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.208, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.917, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.8, "novelty": 0.2}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "3", "pAct_q10": 5.381816369641628, "aff_pf": -0.9523041645685831, "aff_hs": -0.9145036538441976, "repeats_pf": {"runs": 3, "values": [-0.8834, -1.0113, -0.9622], "mean": -0.9523, "spread": 0.1279}, "repeats_hs": {"runs": 3, "values": [-0.8928, -0.9628, -0.8879], "mean": -0.9145, "spread": 0.0749}, "at": 1787134898}, "tier": 1, "relegate_reason": [], "submitted_at": 1787128713, "scored_at": 1787134898, "alerts": [], "rank": 3746}, {"candidate_id": "ODC-E236D4", "res_at": 1787871829, "skeleton": "MLMBMNJYYHLYNS", "hf_user": "Bio-JS", "display_name": "베타 스페이서: (3-메틸싸이에탄-3-일)메틸", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.281, "axes": {"activity": 14.93, "binding": 6.66, "selectivity": 4.42, "admet": 1.95, "novelty": 3.3, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 6.29, "LE": 0.233, "potency_term": 0.429, "efficiency_cap": 0.776}, "selectivity": {"fold": 10.7, "selectivity_term": 0.514, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.318, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.39, "herg": 0.05, "dili": 0.137}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.49571520145176, "aff_pf": -0.28777579466501874, "aff_hs": 0.7409864664077759, "repeats_pf": {"runs": 3, "values": [-0.1551, -0.3725, -0.3357], "mean": -0.2878, "spread": 0.2174}, "repeats_hs": {"runs": 3, "values": [0.6579, 0.7403, 0.8249], "mean": 0.741, "spread": 0.167}, "at": 1787866157}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813147, "scored_at": 1787866157, "alerts": [], "rank": 3747}, {"candidate_id": "ODC-FECAA5", "res_at": 1787353390, "skeleton": "DAFYLVMQECUOIQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 33.265, "axes": {"activity": 17.51, "binding": 4.91, "selectivity": 1.99, "admet": 2.83, "novelty": 3.84, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.65, "fraction": 0.584}, "binding": {"pIC50": 5.97, "LE": 0.227, "potency_term": 0.324, "efficiency_cap": 0.758}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 0.892, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.943, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.079, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 5.650485198206984, "aff_pf": 0.028000831604003906, "aff_hs": 0.6426949799060822, "repeats_pf": {"runs": 3, "values": [-0.0713, -0.1409, 0.2962], "mean": 0.028, "spread": 0.4371}, "repeats_hs": {"runs": 3, "values": [0.4887, 0.7072, 0.7322], "mean": 0.6427, "spread": 0.2435}, "at": 1787353390}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347780, "scored_at": 1787353390, "alerts": [], "rank": 3748}, {"candidate_id": "ODC-A1A205", "res_at": 1789196542, "skeleton": "FZLROULBVXBBKK", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_CSC_5Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSCc1nc··········)n2n1", "total": 33.26, "axes": {"activity": 8.15, "binding": 11.3, "selectivity": 4.96, "admet": 3.34, "novelty": 3.11, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.089, "fraction": 0.272}, "binding": {"pIC50": 6.69, "LE": 0.382, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.439, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.754, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.514, "herg": 0.251, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.08872950517985, "aff_pf": -0.6945567727088928, "aff_hs": 0.18349817395210266, "repeats_pf": {"runs": 3, "values": [-0.673, -0.7464, -0.6642], "mean": -0.6946, "spread": 0.0822}, "repeats_hs": {"runs": 3, "values": [0.3335, 0.1782, 0.0388], "mean": 0.1835, "spread": 0.2947}, "at": 1789196542}, "tier": 1, "alerts": [], "total_sd": 0.573, "total_ci95": [32.214, 34.387], "relegate_reason": [], "submitted_at": 1789177473, "scored_at": 1789196542, "rank": 3749}, {"candidate_id": "ODC-4255CA", "res_at": 1787630049, "skeleton": "AEGPXLSHZSIXFH", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 33.238, "axes": {"activity": 17.34, "binding": 6.25, "selectivity": 1.32, "admet": 2.42, "novelty": 3.11, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.64, "fraction": 0.578}, "binding": {"pIC50": 6.02, "LE": 0.275, "potency_term": 0.341, "efficiency_cap": 0.917}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.341}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.416, "herg": 0.05, "dili": 0.408}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.640412909993419, "aff_pf": -0.023055898646513622, "aff_hs": 0.3640383978684743, "repeats_pf": {"runs": 3, "values": [-0.2288, 0.0934, 0.0663], "mean": -0.0231, "spread": 0.3222}, "repeats_hs": {"runs": 3, "values": [0.3296, 0.4443, 0.3183], "mean": 0.364, "spread": 0.126}, "at": 1787630049}, "tier": 1, "relegate_reason": [], "submitted_at": 1787623724, "scored_at": 1787630049, "alerts": [], "rank": 3750}, {"candidate_id": "ODC-02B1F9", "res_at": 1786975976, "skeleton": "JBCGIGUYWQYUMC", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.221, "axes": {"activity": 12.5, "binding": 10.92, "selectivity": 2.01, "admet": 3.91, "novelty": 1.52, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.35, "fraction": 0.417}, "binding": {"pIC50": 6.64, "LE": 0.35, "potency_term": 0.546, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.546}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.846, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.485, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.722, "novelty": 0.278}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.350089316894714, "aff_pf": -0.6378242174784342, "aff_hs": -0.26920508841673535, "repeats_pf": {"runs": 3, "values": [-0.685, -0.5862, -0.6423], "mean": -0.6378, "spread": 0.0987}, "repeats_hs": {"runs": 3, "values": [-0.3138, -0.2355, -0.2583], "mean": -0.2692, "spread": 0.0783}, "at": 1786975976}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975493, "scored_at": 1786975976, "alerts": [], "rank": 3751}, {"candidate_id": "ODC-965587", "res_at": 1788134119, "skeleton": "PAYDYPYJOUPVMD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 33.186, "axes": {"activity": 16.98, "binding": 7.82, "selectivity": 0.0, "admet": 1.93, "novelty": 3.62, "synthesis": 2.83}, "detail": {"activity": {"pAct_q10": 5.619, "fraction": 0.566}, "binding": {"pIC50": 6.44, "LE": 0.245, "potency_term": 0.479, "efficiency_cap": 0.816}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.228, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.374, "ld50-zhu": 0.528, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 5.61872817725012, "aff_pf": -0.43644184867540997, "aff_hs": -0.576286772886912, "repeats_pf": {"runs": 3, "values": [-1.0374, -0.1914, -0.0805], "mean": -0.4364, "spread": 0.9569}, "repeats_hs": {"runs": 3, "values": [-0.4783, -0.6594, -0.5912], "mean": -0.5763, "spread": 0.1811}, "at": 1788134119}, "tier": 1, "alerts": [], "total_sd": 2.151, "total_ci95": [30.923, 40.811], "relegate_reason": [], "submitted_at": 1788132572, "scored_at": 1788134119, "rank": 3752}, {"candidate_id": "ODC-F68AC8", "res_at": 1787721001, "skeleton": "QKGHYOCEJSANFC", "hf_user": "Moonweave", "display_name": "M5AI-F2POS-CAND-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········2cc1F", "total": 33.179, "axes": {"activity": 15.83, "binding": 9.5, "selectivity": 0.0, "admet": 2.21, "novelty": 3.25, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.55, "fraction": 0.528}, "binding": {"pIC50": 6.45, "LE": 0.295, "potency_term": 0.484, "efficiency_cap": 0.982}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.484}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.192}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.549579934736329, "aff_pf": -0.451557457447052, "aff_hs": -0.7253700693448385, "repeats_pf": {"runs": 3, "values": [-0.4347, -0.3839, -0.5361], "mean": -0.4516, "spread": 0.1522}, "repeats_hs": {"runs": 3, "values": [-0.6902, -0.7318, -0.7541], "mean": -0.7254, "spread": 0.064}, "at": 1787721001}, "tier": 1, "relegate_reason": [], "submitted_at": 1787718591, "scored_at": 1787721001, "alerts": [], "rank": 3753}, {"candidate_id": "ODC-9CD9A3", "res_at": 1787097056, "skeleton": "OAMRKJSITSYZLS", "hf_user": "Ku-ku", "display_name": "A14_2cHex", "model_name": "triazolo-2pos-bulk", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 33.116, "axes": {"activity": 12.17, "binding": 9.47, "selectivity": 5.27, "admet": 2.01, "novelty": 1.96, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 6.42, "LE": 0.314, "potency_term": 0.474, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.9, "selectivity_term": 0.556, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.330121207489394, "aff_pf": -0.4208395481109619, "aff_hs": 0.6911653876304626, "repeats_pf": {"runs": 3, "values": [-0.505, -0.3851, -0.3725], "mean": -0.4208, "spread": 0.1325}, "repeats_hs": {"runs": 3, "values": [0.6447, 0.6807, 0.7482], "mean": 0.6912, "spread": 0.1035}, "at": 1787097056}, "tier": 1, "relegate_reason": [], "submitted_at": 1787096676, "scored_at": 1787097056, "alerts": [], "rank": 3754}, {"candidate_id": "ODC-791048", "res_at": 1787123032, "skeleton": "SOOHRDZUVJTEFS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 33.104, "axes": {"activity": 15.13, "binding": 7.12, "selectivity": 2.8, "admet": 2.54, "novelty": 3.11, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.504}, "binding": {"pIC50": 6.3, "LE": 0.247, "potency_term": 0.433, "efficiency_cap": 0.822}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.334, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.765, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.5078520925755665, "aff_pf": -0.29884979128837585, "aff_hs": 0.3470142185688019, "repeats_pf": {"runs": 3, "values": [0.1631, -0.5382, -0.5214], "mean": -0.2988, "spread": 0.7013}, "repeats_hs": {"runs": 3, "values": [0.5094, 0.0164, 0.5152], "mean": 0.347, "spread": 0.4989}, "at": 1787123032}, "tier": 1, "relegate_reason": [], "submitted_at": 1787105945, "scored_at": 1787123032, "alerts": [], "rank": 3755}, {"candidate_id": "ODC-88641A", "res_at": 1787506213, "skeleton": "YCHHEEHLHDYABH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.071, "axes": {"activity": 16.2, "binding": 6.69, "selectivity": 2.25, "admet": 2.06, "novelty": 3.41, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.572, "fraction": 0.54}, "binding": {"pIC50": 6.35, "LE": 0.223, "potency_term": 0.45, "efficiency_cap": 0.743}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.45}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.572266500017656, "aff_pf": -0.3492663999398549, "aff_hs": 0.15026207764943442, "repeats_pf": {"runs": 3, "values": [-0.3722, -0.3773, -0.2983], "mean": -0.3493, "spread": 0.079}, "repeats_hs": {"runs": 3, "values": [0.1213, 0.1206, 0.209], "mean": 0.1503, "spread": 0.0884}, "at": 1787506213}, "tier": 1, "relegate_reason": [], "submitted_at": 1787497976, "scored_at": 1787506213, "alerts": [], "rank": 3756}, {"candidate_id": "ODC-006348", "res_at": 1787911698, "skeleton": "WRAAETSOARPCPO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 33.067, "axes": {"activity": 10.59, "binding": 10.35, "selectivity": 3.38, "admet": 4.25, "novelty": 2.01, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.235, "fraction": 0.353}, "binding": {"pIC50": 6.55, "LE": 0.374, "potency_term": 0.518, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.518}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.575, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.846, "cyp3a4-substrate-carbonmangels": 0.145, "ld50-zhu": 0.342, "herg": 0.987, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.235297379749966, "aff_pf": -0.5527708927790324, "aff_hs": 0.10066144168376923, "repeats_pf": {"runs": 3, "values": [-0.4576, -0.5635, -0.6372], "mean": -0.5528, "spread": 0.1796}, "repeats_hs": {"runs": 3, "values": [0.0276, 0.1134, 0.161], "mean": 0.1007, "spread": 0.1334}, "at": 1787911698}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898786, "scored_at": 1787911698, "alerts": [], "rank": 3757}, {"candidate_id": "ODC-BE4FD7", "res_at": 1787893536, "skeleton": "RPSSZXJOPOJVER", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-24", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 33.054, "axes": {"activity": 12.8, "binding": 10.93, "selectivity": 0.0, "admet": 3.37, "novelty": 3.88, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 6.8, "LE": 0.274, "potency_term": 0.599, "efficiency_cap": 0.913}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.599}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.267, "ld50-zhu": 0.634, "herg": 0.235, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.368014557968356, "aff_pf": -0.7962036530176798, "aff_hs": -1.0285139481226604, "repeats_pf": {"runs": 3, "values": [-0.7854, -0.8773, -0.7259], "mean": -0.7962, "spread": 0.1514}, "repeats_hs": {"runs": 3, "values": [-0.9713, -0.9871, -1.1271], "mean": -1.0285, "spread": 0.1558}, "at": 1787893536}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841450, "scored_at": 1787893536, "alerts": [], "rank": 3758}, {"candidate_id": "ODC-F94640", "res_at": 1787875027, "skeleton": "GGQZGIBKZZGIEV", "hf_user": "Bio-JS", "display_name": "4원설폰팔 x 베타 스페이서 싸이에탄", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 33.052, "axes": {"activity": 15.47, "binding": 9.95, "selectivity": 0.0, "admet": 2.03, "novelty": 3.55, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.528, "fraction": 0.516}, "binding": {"pIC50": 6.74, "LE": 0.257, "potency_term": 0.582, "efficiency_cap": 0.856}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.283, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.216}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.528424194751558, "aff_pf": -0.744847853978475, "aff_hs": -0.7931292454401652, "repeats_pf": {"runs": 3, "values": [-0.8224, -0.6106, -0.8015], "mean": -0.7448, "spread": 0.2118}, "repeats_hs": {"runs": 3, "values": [-0.9098, -0.7149, -0.7547], "mean": -0.7931, "spread": 0.1949}, "at": 1787875027}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813288, "scored_at": 1787875027, "alerts": [], "rank": 3759}, {"candidate_id": "ODC-16E96B", "res_at": 1787237315, "skeleton": "HZDHTMFPRSOOMZ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 33.05, "axes": {"activity": 14.73, "binding": 6.6, "selectivity": 2.88, "admet": 3.29, "novelty": 3.52, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.484, "fraction": 0.491}, "binding": {"pIC50": 6.25, "LE": 0.238, "potency_term": 0.417, "efficiency_cap": 0.793}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.417}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.734, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.483818748489288, "aff_pf": -0.24959818522135416, "aff_hs": 0.44087857007980347, "repeats_pf": {"runs": 3, "values": [-0.2587, -0.2656, -0.2245], "mean": -0.2496, "spread": 0.041}, "repeats_hs": {"runs": 3, "values": [0.4987, 0.5037, 0.3202], "mean": 0.4409, "spread": 0.1835}, "at": 1787237315}, "tier": 1, "relegate_reason": [], "submitted_at": 1787233832, "scored_at": 1787237315, "alerts": [], "rank": 3760}, {"candidate_id": "ODC-03EC8F", "res_at": 1786984506, "skeleton": "GRPZLZPPGOXOLD", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········ccc1I", "total": 33.029, "axes": {"activity": 12.93, "binding": 10.3, "selectivity": 2.31, "admet": 2.98, "novelty": 2.06, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 6.54, "LE": 0.39, "potency_term": 0.515, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.467, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.375785023507655, "aff_pf": -0.5448599259058634, "aff_hs": -0.09584217766920726, "repeats_pf": {"runs": 3, "values": [-0.4725, -0.5805, -0.5816], "mean": -0.5449, "spread": 0.1091}, "repeats_hs": {"runs": 3, "values": [-0.1052, -0.2468, 0.0645], "mean": -0.0958, "spread": 0.3113}, "at": 1786984506}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980712, "scored_at": 1786984506, "alerts": [], "rank": 3761}, {"candidate_id": "ODC-777E6C", "res_at": 1787370597, "skeleton": "NVVPVZVXYVOWFK", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 33.006, "axes": {"activity": 14.51, "binding": 7.68, "selectivity": 1.44, "admet": 4.25, "novelty": 3.58, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 6.15, "LE": 0.301, "potency_term": 0.384, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.187, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 0.982, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.991, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.4708215537183555, "aff_pf": -0.15211506187915802, "aff_hs": 0.22227788468201956, "repeats_pf": {"runs": 3, "values": [-0.055, -0.1563, -0.245], "mean": -0.1521, "spread": 0.19}, "repeats_hs": {"runs": 3, "values": [0.2737, 0.1565, 0.2366], "mean": 0.2223, "spread": 0.1172}, "at": 1787370597}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364938, "scored_at": 1787370597, "alerts": [], "rank": 3762}, {"candidate_id": "ODC-A61DCB", "res_at": 1786788268, "skeleton": "DOCSVGWPLORTMJ", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "400-450", "visibility": "public", "smiles": "CC[C@@](O)(c1ccc(C(F)(F)F)c(Cl)c1)c1nn(C)c2cn(C3CC3)c(=O)cc12", "smiles_masked": null, "total": 33.006, "axes": {"activity": 12.55, "binding": 10.0, "selectivity": 3.42, "admet": 2.76, "novelty": 2.6, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.5, "LE": 0.307, "potency_term": 0.5, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.5}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.527, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.537, "herg": 0.05, "dili": 0.274}}, "novelty": {"max_tanimoto": 0.48, "novelty": 0.52}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "3", "pAct_q10": 5.3531015016476875, "aff_pf": -0.4996191163857778, "aff_hs": 0.18449713724354902, "repeats_pf": {"runs": 3, "values": [-0.4645, -0.5606, -0.4737], "mean": -0.4996, "spread": 0.0961}, "repeats_hs": {"runs": 3, "values": [-0.0278, 0.2424, 0.3389], "mean": 0.1845, "spread": 0.3667}, "at": 1786788268}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781141, "scored_at": 1786788268, "alerts": [], "rank": 3763}, {"candidate_id": "ODC-736E6E", "res_at": 1786853831, "skeleton": "SDSKRELQSPWCDI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2c1", "total": 32.999, "axes": {"activity": 4.82, "binding": 11.7, "selectivity": 7.52, "admet": 3.5, "novelty": 2.88, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 4.889, "fraction": 0.161}, "binding": {"pIC50": 6.75, "LE": 0.402, "potency_term": 0.585, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.3, "selectivity_term": 0.643, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.232, "ld50-zhu": 0.315, "herg": 0.561, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 4.8893883420596405, "aff_pf": -0.7546961506207784, "aff_hs": 0.5315669576327006, "repeats_pf": {"runs": 3, "values": [-0.7692, -0.7505, -0.7444], "mean": -0.7547, "spread": 0.0248}, "repeats_hs": {"runs": 3, "values": [0.4922, 0.5676, 0.5349], "mean": 0.5316, "spread": 0.0755}, "at": 1786853831}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847563, "scored_at": 1786853831, "alerts": [], "rank": 3764}, {"candidate_id": "ODC-55E670", "res_at": 1787424732, "skeleton": "JOCFARNTERQZSP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 32.965, "axes": {"activity": 14.9, "binding": 7.96, "selectivity": 2.45, "admet": 1.91, "novelty": 3.59, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 6.46, "LE": 0.246, "potency_term": 0.486, "efficiency_cap": 0.819}, "selectivity": {"fold": 3.2, "selectivity_term": 0.252, "target_engagement": 0.486}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.059, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.76, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.494196587388727, "aff_pf": -0.45713205138842267, "aff_hs": 0.04636026422182719, "repeats_pf": {"runs": 3, "values": [-0.3398, -0.4544, -0.5772], "mean": -0.4571, "spread": 0.2374}, "repeats_hs": {"runs": 3, "values": [1.3035, -0.7206, -0.4438], "mean": 0.0464, "spread": 2.0241}, "at": 1787424732}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424264, "scored_at": 1787424732, "alerts": [], "rank": 3765}, {"candidate_id": "ODC-6E3EC5", "res_at": 1787728684, "skeleton": "CJNPVIVJTQLTLN", "hf_user": "Moonweave", "display_name": "M5AI-P12-OM-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)c1OC", "total": 32.956, "axes": {"activity": 15.57, "binding": 10.17, "selectivity": 0.0, "admet": 1.72, "novelty": 3.19, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.534, "fraction": 0.519}, "binding": {"pIC50": 6.58, "LE": 0.291, "potency_term": 0.525, "efficiency_cap": 0.969}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.221, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.533926339132388, "aff_pf": -0.5751104652881622, "aff_hs": -0.7327330907185873, "repeats_pf": {"runs": 3, "values": [-0.4695, -0.8156, -0.4402], "mean": -0.5751, "spread": 0.3754}, "repeats_hs": {"runs": 3, "values": [-0.7202, -0.7331, -0.7449], "mean": -0.7327, "spread": 0.0247}, "at": 1787728684}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726081, "scored_at": 1787728684, "alerts": [], "rank": 3766}, {"candidate_id": "ODC-C6C7E4", "res_at": 1789595565, "skeleton": "CNCXFZLPRSNDFD", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 32.932, "axes": {"activity": 13.14, "binding": 9.73, "selectivity": 2.38, "admet": 3.14, "novelty": 3.35, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 6.6, "LE": 0.274, "potency_term": 0.533, "efficiency_cap": 0.913}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.567, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.978, "ld50-zhu": 0.772, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "0", "pAct_q10": 5.388444750504226, "aff_pf": -0.5984330077966055, "aff_hs": -0.15110363066196442, "repeats_pf": {"runs": 3, "values": [-0.4246, -0.6622, -0.7085], "mean": -0.5984, "spread": 0.2839}, "repeats_hs": {"runs": 3, "values": [0.0467, -0.1972, -0.3028], "mean": -0.1511, "spread": 0.3495}, "at": 1789595565}, "tier": 1, "alerts": [], "total_sd": 1.518, "total_ci95": [29.628, 35.681], "relegate_reason": [], "submitted_at": 1789594643, "scored_at": 1789595565, "rank": 3767}, {"candidate_id": "ODC-FC7A60", "res_at": 1787130002, "skeleton": "XMXNPGXOPMJMFV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········)c1=O", "total": 32.921, "axes": {"activity": 16.54, "binding": 4.1, "selectivity": 0.84, "admet": 6.14, "novelty": 4.19, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.593, "fraction": 0.551}, "binding": {"pIC50": 5.61, "LE": 0.308, "potency_term": 0.205, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.742, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.849, "cyp3a4-substrate-carbonmangels": 0.401, "ld50-zhu": 0.609, "herg": 1.0, "dili": 0.729}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 4.59}}, "run": {"gpu": "3", "pAct_q10": 5.592582854699052, "aff_pf": 0.3850559989611308, "aff_hs": 0.7925369342168173, "repeats_pf": {"runs": 3, "values": [0.3542, 0.4155, 0.3855], "mean": 0.3851, "spread": 0.0613}, "repeats_hs": {"runs": 3, "values": [0.7907, 0.9366, 0.6503], "mean": 0.7925, "spread": 0.2864}, "at": 1787130002}, "tier": 1, "relegate_reason": [], "submitted_at": 1787117223, "scored_at": 1787130002, "alerts": [], "rank": 3768}, {"candidate_id": "ODC-EB2E39", "res_at": 1787277713, "skeleton": "BKCNJUNNBVBCHR", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 32.916, "axes": {"activity": 17.02, "binding": 6.03, "selectivity": 1.08, "admet": 3.81, "novelty": 3.21, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.621, "fraction": 0.567}, "binding": {"pIC50": 5.9, "LE": 0.311, "potency_term": 0.302, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.179, "target_engagement": 0.302}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.51, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.424, "ld50-zhu": 0.543, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "3", "pAct_q10": 5.621077578238945, "aff_pf": 0.0954144150018692, "aff_hs": 0.4537137846151988, "repeats_pf": {"runs": 3, "values": [0.1101, -0.0086, 0.1847], "mean": 0.0954, "spread": 0.1933}, "repeats_hs": {"runs": 3, "values": [0.4583, 0.4845, 0.4183], "mean": 0.4537, "spread": 0.0662}, "at": 1787277713}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276067, "scored_at": 1787277713, "alerts": [], "rank": 3769}, {"candidate_id": "ODC-1ABA7B", "res_at": 1787871604, "skeleton": "GRIOHKYMRJLJHF", "hf_user": "Bio-JS", "display_name": "베타 스페이서: (1-아세틸아제티딘-3-일)메틸", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········c2)C1", "total": 32.914, "axes": {"activity": 13.93, "binding": 6.39, "selectivity": 5.56, "admet": 1.85, "novelty": 3.16, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.464}, "binding": {"pIC50": 6.3, "LE": 0.221, "potency_term": 0.433, "efficiency_cap": 0.738}, "selectivity": {"fold": 19.2, "selectivity_term": 0.642, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 0.308, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.543, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.436028232210427, "aff_pf": -0.30005429188410443, "aff_hs": 0.9829523166020712, "repeats_pf": {"runs": 3, "values": [-0.4126, -0.2161, -0.2714], "mean": -0.3001, "spread": 0.1965}, "repeats_hs": {"runs": 3, "values": [1.0308, 0.9659, 0.9522], "mean": 0.983, "spread": 0.0786}, "at": 1787866523}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813154, "scored_at": 1787866523, "alerts": [], "rank": 3770}, {"candidate_id": "ODC-CA5CFC", "res_at": 1786958543, "skeleton": "UQWOJHFIMNJYAX", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 32.906, "axes": {"activity": 10.68, "binding": 10.73, "selectivity": 3.65, "admet": 3.64, "novelty": 2.46, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.241, "fraction": 0.356}, "binding": {"pIC50": 6.61, "LE": 0.348, "potency_term": 0.537, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.341, "target_engagement": 0.537}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.778, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.541, "novelty": 0.459}, "synthesis": {"sa_score": 3.74}}, "run": {"gpu": "2", "pAct_q10": 5.240995431420173, "aff_pf": -0.609572172164917, "aff_hs": 0.07156504938999812, "repeats_pf": {"runs": 3, "values": [-0.6396, -0.6096, -0.5795], "mean": -0.6096, "spread": 0.06}, "repeats_hs": {"runs": 3, "values": [-0.0058, -0.0081, 0.2286], "mean": 0.0716, "spread": 0.2368}, "at": 1786958543}, "tier": 1, "relegate_reason": [], "submitted_at": 1786957464, "scored_at": 1786958543, "alerts": [], "rank": 3771}, {"candidate_id": "ODC-8320B3", "res_at": 1786871217, "skeleton": "AGPIZLJTJKKWRZ", "hf_user": "DOATC", "display_name": "SOL_AGG_RET_03", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)c1Br", "total": 32.904, "axes": {"activity": 9.63, "binding": 12.58, "selectivity": 1.83, "admet": 3.33, "novelty": 2.68, "synthesis": 2.86}, "detail": {"activity": {"pAct_q10": 5.178, "fraction": 0.321}, "binding": {"pIC50": 6.89, "LE": 0.41, "potency_term": 0.629, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.145, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.486, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.177558999661672, "aff_pf": -0.8865320881207784, "aff_hs": -0.5960740347703298, "repeats_pf": {"runs": 3, "values": [-0.9515, -0.8852, -0.8229], "mean": -0.8865, "spread": 0.1287}, "repeats_hs": {"runs": 3, "values": [-0.591, -0.7014, -0.4958], "mean": -0.5961, "spread": 0.2056}, "at": 1786871217}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865535, "scored_at": 1786871217, "alerts": [], "rank": 3772}, {"candidate_id": "ODC-526631", "res_at": 1788332098, "skeleton": "QBQWTGALYAPHRQ", "hf_user": "Bio-JS", "display_name": "0902-모서리메틸SO2메틸", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)n2n1", "total": 32.896, "axes": {"activity": 17.56, "binding": 5.36, "selectivity": 1.7, "admet": 2.12, "novelty": 3.56, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 5.654, "fraction": 0.585}, "binding": {"pIC50": 5.97, "LE": 0.248, "potency_term": 0.324, "efficiency_cap": 0.826}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.653710630147641, "aff_pf": 0.02795635163784027, "aff_hs": 0.5526586572329203, "repeats_pf": {"runs": 3, "values": [0.0511, 0.0049, 0.0279], "mean": 0.028, "spread": 0.0462}, "repeats_hs": {"runs": 3, "values": [0.5281, 0.5922, 0.5377], "mean": 0.5527, "spread": 0.0641}, "at": 1788332098}, "tier": 1, "alerts": [], "total_sd": 0.146, "total_ci95": [32.643, 33.171], "relegate_reason": [], "submitted_at": 1788327377, "scored_at": 1788332098, "rank": 3773}, {"candidate_id": "ODC-DE4055", "res_at": 1789094130, "skeleton": "QDPUCCAPUNMQTJ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 32.887, "axes": {"activity": 11.69, "binding": 9.5, "selectivity": 5.39, "admet": 3.42, "novelty": 1.21, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.39}, "binding": {"pIC50": 6.43, "LE": 0.304, "potency_term": 0.475, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.7, "selectivity_term": 0.568, "target_engagement": 0.475}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.86, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.745, "novelty": 0.255}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 5.301311349357868, "aff_pf": -0.42524753014246625, "aff_hs": 0.7102144360542297, "repeats_pf": {"runs": 3, "values": [-0.4755, -0.3656, -0.4347], "mean": -0.4252, "spread": 0.1099}, "repeats_hs": {"runs": 3, "values": [0.6756, 0.7422, 0.7129], "mean": 0.7102, "spread": 0.0666}, "at": 1789094130}, "tier": 1, "alerts": [], "total_sd": 0.491, "total_ci95": [32.07, 33.82], "relegate_reason": [], "submitted_at": 1789088854, "scored_at": 1789094130, "rank": 3774}, {"candidate_id": "ODC-B71282", "res_at": 1788056088, "skeleton": "ZTPDZBAYRQOOFG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 32.886, "axes": {"activity": 15.57, "binding": 6.61, "selectivity": 1.69, "admet": 4.43, "novelty": 2.95, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.534, "fraction": 0.519}, "binding": {"pIC50": 6.13, "LE": 0.263, "potency_term": 0.378, "efficiency_cap": 0.875}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.378}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.802, "caco2-wang": 0.418, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.8, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.525, "herg": 0.244, "dili": 0.141}}, "novelty": {"max_tanimoto": 0.432, "novelty": 0.568}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 5.534390414386874, "aff_pf": -0.13308828075726828, "aff_hs": 0.31412311395009357, "repeats_pf": {"runs": 3, "values": [0.0163, -0.0748, -0.3408], "mean": -0.1331, "spread": 0.3571}, "repeats_hs": {"runs": 3, "values": [0.3212, 0.2722, 0.349], "mean": 0.3141, "spread": 0.0769}, "at": 1788056088}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 1.046, "total_ci95": [31.246, 35.601], "relegate_reason": [], "submitted_at": 1788007113, "scored_at": 1788056088, "rank": 3775}, {"candidate_id": "ODC-53B968", "res_at": 1787301636, "skeleton": "JNMSBYFGKGSWFG", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc2c(C#N)cc(C(F)(F)F)cc2n1-c1ccc(C(=O)NC2CC2)s1", "smiles_masked": null, "total": 32.877, "axes": {"activity": 12.15, "binding": 11.89, "selectivity": 1.02, "admet": 3.48, "novelty": 1.7, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.78, "LE": 0.344, "potency_term": 0.595, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.766, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.337, "ld50-zhu": 0.609, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.714, "novelty": 0.286}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.3289310186451155, "aff_pf": -0.7839923898379008, "aff_hs": -0.6122720837593079, "repeats_pf": {"runs": 3, "values": [-0.7823, -0.814, -0.7557], "mean": -0.784, "spread": 0.0583}, "repeats_hs": {"runs": 3, "values": [-0.5593, -0.5733, -0.7043], "mean": -0.6123, "spread": 0.145}, "at": 1787301636}, "tier": 1, "relegate_reason": [], "submitted_at": 1787301450, "scored_at": 1787301636, "alerts": [], "rank": 3776}, {"candidate_id": "ODC-B43675", "res_at": 1787351804, "skeleton": "HIXLFEBQEFIXGS", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 32.875, "axes": {"activity": 19.06, "binding": 3.09, "selectivity": 0.88, "admet": 3.34, "novelty": 4.34, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.744, "fraction": 0.635}, "binding": {"pIC50": 5.61, "LE": 0.226, "potency_term": 0.205, "efficiency_cap": 0.754}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.586, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.315, "herg": 0.05, "dili": 0.136}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.743786929391783, "aff_pf": 0.38511985540390015, "aff_hs": 0.8133678237597147, "repeats_pf": {"runs": 3, "values": [0.5085, 0.2925, 0.3544], "mean": 0.3851, "spread": 0.2161}, "repeats_hs": {"runs": 3, "values": [0.6211, 0.9794, 0.8395], "mean": 0.8134, "spread": 0.3583}, "at": 1787351804}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347719, "scored_at": 1787351804, "alerts": [], "rank": 3777}, {"candidate_id": "ODC-366A8C", "res_at": 1787320599, "skeleton": "CTLWCXLASNWFGA", "hf_user": "araai", "display_name": "araai", "model_name": "ARA", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 32.867, "axes": {"activity": 16.1, "binding": 8.83, "selectivity": 0.0, "admet": 1.93, "novelty": 3.33, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.566, "fraction": 0.537}, "binding": {"pIC50": 6.66, "LE": 0.24, "potency_term": 0.552, "efficiency_cap": 0.8}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 0.719, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.165, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 5.565811137010304, "aff_pf": -0.6557349562644958, "aff_hs": -1.1085887749989827, "repeats_pf": {"runs": 3, "values": [-0.3209, -0.7352, -0.9111], "mean": -0.6557, "spread": 0.5901}, "repeats_hs": {"runs": 3, "values": [-1.1028, -1.135, -1.0879], "mean": -1.1086, "spread": 0.0471}, "at": 1787320599}, "tier": 1, "relegate_reason": [], "submitted_at": 1787317260, "scored_at": 1787320599, "alerts": [], "rank": 3778}, {"candidate_id": "ODC-18DA82", "res_at": 1787731453, "skeleton": "WNRKKGJADJWVLI", "hf_user": "Bio-JS", "display_name": "D 팔 설폰 -> 모르폴린", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 32.848, "axes": {"activity": 17.31, "binding": 5.32, "selectivity": 1.89, "admet": 2.01, "novelty": 3.87, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.639, "fraction": 0.577}, "binding": {"pIC50": 6.02, "LE": 0.235, "potency_term": 0.339, "efficiency_cap": 0.785}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.352, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.211}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.638680367164542, "aff_pf": -0.016174683968226116, "aff_hs": 0.5418443083763123, "repeats_pf": {"runs": 3, "values": [0.0181, -0.0716, 0.005], "mean": -0.0162, "spread": 0.0896}, "repeats_hs": {"runs": 3, "values": [0.5267, 0.5271, 0.5718], "mean": 0.5418, "spread": 0.0451}, "at": 1787731453}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726686, "scored_at": 1787731453, "alerts": [], "rank": 3779}, {"candidate_id": "ODC-6FC97F", "res_at": 1787409141, "skeleton": "BFAAJHAOAQJDRG", "hf_user": "takutoyo", "display_name": "PfD13-13", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 32.848, "axes": {"activity": 13.77, "binding": 11.31, "selectivity": 0.0, "admet": 1.99, "novelty": 3.63, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 6.84, "LE": 0.276, "potency_term": 0.615, "efficiency_cap": 0.919}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.615}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.293, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.545, "ld50-zhu": 0.715, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.426421634776008, "aff_pf": -0.8446945349375407, "aff_hs": -0.8549480438232422, "repeats_pf": {"runs": 3, "values": [-0.8823, -0.7839, -0.8679], "mean": -0.8447, "spread": 0.0985}, "repeats_hs": {"runs": 3, "values": [-0.8197, -0.9293, -0.8159], "mean": -0.8549, "spread": 0.1134}, "at": 1787409141}, "tier": 1, "relegate_reason": [], "submitted_at": 1787406768, "scored_at": 1787409141, "alerts": [], "rank": 3780}, {"candidate_id": "ODC-35C49E", "res_at": 1787135858, "skeleton": "KNWWBTYRKRFBMH", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········c2)c1", "total": 32.844, "axes": {"activity": 21.3, "binding": 0.66, "selectivity": 0.0, "admet": 3.68, "novelty": 4.83, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.878, "fraction": 0.71}, "binding": {"pIC50": 4.73, "LE": 0.196, "potency_term": 0.051, "efficiency_cap": 0.654}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.401, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.644, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.533, "dili": 0.965}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.878224331430048, "aff_pf": 1.271390716234843, "aff_hs": 1.5987852811813354, "repeats_pf": {"runs": 3, "values": [1.2141, 1.3707, 1.2294], "mean": 1.2714, "spread": 0.1566}, "repeats_hs": {"runs": 3, "values": [1.5731, 1.6109, 1.6124], "mean": 1.5988, "spread": 0.0393}, "at": 1787135858}, "tier": 1, "relegate_reason": [], "submitted_at": 1787134840, "scored_at": 1787135858, "alerts": [], "rank": 3781}, {"candidate_id": "ODC-DABF12", "res_at": 1789567604, "skeleton": "KPUCQTWMEDHPNN", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 32.825, "axes": {"activity": 14.03, "binding": 8.44, "selectivity": 3.27, "admet": 2.78, "novelty": 3.14, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 6.42, "LE": 0.267, "potency_term": 0.474, "efficiency_cap": 0.889}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.137, "hia-hou": 0.851, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.834, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 4.26}}, "run": {"gpu": "0", "pAct_q10": 5.441871372701687, "aff_pf": -0.42345986763636273, "aff_hs": 0.2667236526807149, "repeats_pf": {"runs": 3, "values": [-0.4768, -0.4126, -0.381], "mean": -0.4235, "spread": 0.0959}, "repeats_hs": {"runs": 3, "values": [0.4338, 0.2737, 0.0927], "mean": 0.2667, "spread": 0.3411}, "at": 1789567604}, "tier": 1, "alerts": [], "total_sd": 0.508, "total_ci95": [31.99, 33.862], "relegate_reason": [], "submitted_at": 1789567209, "scored_at": 1789567604, "rank": 3782}, {"candidate_id": "ODC-F073F3", "res_at": 1789990111, "skeleton": "JZNFXMSAJJLABA", "hf_user": "Bio-JS", "display_name": "0921-S1-01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 32.817, "axes": {"activity": 10.04, "binding": 9.53, "selectivity": 4.59, "admet": 3.78, "novelty": 2.9, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.202, "fraction": 0.335}, "binding": {"pIC50": 6.43, "LE": 0.367, "potency_term": 0.476, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.2, "selectivity_term": 0.482, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.907, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.458, "herg": 0.481, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.202428025256545, "aff_pf": -0.4292331834634145, "aff_hs": 0.5343604485193888, "repeats_pf": {"runs": 3, "values": [-0.3543, -0.4321, -0.5014], "mean": -0.4292, "spread": 0.1471}, "repeats_hs": {"runs": 3, "values": [0.3549, 0.6075, 0.6407], "mean": 0.5344, "spread": 0.2858}, "at": 1789990111}, "tier": 1, "alerts": [], "total_sd": 0.779, "total_ci95": [31.235, 34.31], "relegate_reason": [], "submitted_at": 1789989634, "scored_at": 1789990111, "rank": 3783}, {"candidate_id": "ODC-972731", "res_at": 1787497324, "skeleton": "RZFBXMZLJUXCLR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)cs1", "total": 32.809, "axes": {"activity": 16.95, "binding": 7.13, "selectivity": 0.44, "admet": 2.57, "novelty": 3.86, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.617, "fraction": 0.565}, "binding": {"pIC50": 6.33, "LE": 0.241, "potency_term": 0.444, "efficiency_cap": 0.803}, "selectivity": {"fold": 1.3, "selectivity_term": 0.049, "target_engagement": 0.444}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.331, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.721, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.44, "herg": 0.439, "dili": 0.4}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.616906782448484, "aff_pf": -0.3323170840740204, "aff_hs": -0.23332257568836212, "repeats_pf": {"runs": 3, "values": [-0.2013, -0.4032, -0.3924], "mean": -0.3323, "spread": 0.2019}, "repeats_hs": {"runs": 3, "values": [-0.1679, -0.2796, -0.2525], "mean": -0.2333, "spread": 0.1117}, "at": 1787497324}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491763, "scored_at": 1787497324, "alerts": [], "rank": 3784}, {"candidate_id": "ODC-20D8E2", "res_at": 1789618163, "skeleton": "ZOYHLHDIIUFGJP", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 32.803, "axes": {"activity": 14.64, "binding": 8.44, "selectivity": 1.95, "admet": 3.18, "novelty": 3.3, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.478, "fraction": 0.488}, "binding": {"pIC50": 6.39, "LE": 0.274, "potency_term": 0.463, "efficiency_cap": 0.912}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.449, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.459, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.75, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 4.15}}, "run": {"gpu": "0", "pAct_q10": 5.478308003378414, "aff_pf": -0.3890345096588135, "aff_hs": 0.032091617584228516, "repeats_pf": {"runs": 3, "values": [-0.3708, -0.4488, -0.3475], "mean": -0.389, "spread": 0.1012}, "repeats_hs": {"runs": 3, "values": [0.0602, 0.0483, -0.0122], "mean": 0.0321, "spread": 0.0724}, "at": 1789618163}, "tier": 1, "alerts": [], "total_sd": 0.352, "total_ci95": [32.336, 33.64], "relegate_reason": [], "submitted_at": 1789617598, "scored_at": 1789618163, "rank": 3785}, {"candidate_id": "ODC-CB1C51", "res_at": 1787122831, "skeleton": "MXXXFWUNAHTAAY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 32.78, "axes": {"activity": 15.21, "binding": 6.81, "selectivity": 2.18, "admet": 3.18, "novelty": 2.94, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.513, "fraction": 0.507}, "binding": {"pIC50": 6.22, "LE": 0.251, "potency_term": 0.407, "efficiency_cap": 0.836}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.407}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.194, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.943}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.5126656576694515, "aff_pf": -0.22160967936118445, "aff_hs": 0.314532866080602, "repeats_pf": {"runs": 3, "values": [-0.35, -0.2017, -0.1132], "mean": -0.2216, "spread": 0.2368}, "repeats_hs": {"runs": 3, "values": [0.2254, 0.4082, 0.3099], "mean": 0.3145, "spread": 0.1828}, "at": 1787122831}, "tier": 1, "relegate_reason": [], "submitted_at": 1787105928, "scored_at": 1787122831, "alerts": [], "rank": 3786}, {"candidate_id": "ODC-05C2FB", "res_at": 1786900861, "skeleton": "VXQNGUREQBQDKJ", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#CC1(C··········2)CC1", "total": 32.753, "axes": {"activity": 12.6, "binding": 9.74, "selectivity": 2.61, "admet": 2.77, "novelty": 3.23, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 6.46, "LE": 0.305, "potency_term": 0.487, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.267, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.069, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.707, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.406, "ld50-zhu": 0.918, "herg": 0.237, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "2", "pAct_q10": 5.356276052168677, "aff_pf": -0.4617234965165456, "aff_hs": 0.07294605920712154, "repeats_pf": {"runs": 3, "values": [-0.4566, -0.4659, -0.4627], "mean": -0.4617, "spread": 0.0093}, "repeats_hs": {"runs": 3, "values": [-0.0021, 0.1033, 0.1177], "mean": 0.0729, "spread": 0.1198}, "at": 1786900861}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899132, "scored_at": 1786900861, "alerts": [], "rank": 3787}, {"candidate_id": "ODC-CFF971", "res_at": 1789238268, "skeleton": "ULACEJNZWYUFGB", "hf_user": "Bio-JS", "display_name": "0913-S1-div17", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········c1C#N", "total": 32.753, "axes": {"activity": 17.81, "binding": 5.28, "selectivity": 0.0, "admet": 3.56, "novelty": 3.58, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.668, "fraction": 0.594}, "binding": {"pIC50": 5.79, "LE": 0.317, "potency_term": 0.264, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.248, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.372, "herg": 0.14, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.668493994497711, "aff_pf": 0.20748278250296912, "aff_hs": 0.14019290109475455, "repeats_pf": {"runs": 3, "values": [0.3729, 0.2951, -0.0456], "mean": 0.2075, "spread": 0.4185}, "repeats_hs": {"runs": 3, "values": [0.246, 0.1554, 0.0192], "mean": 0.1402, "spread": 0.2268}, "at": 1789238268}, "tier": 1, "alerts": [], "total_sd": 0.786, "total_ci95": [31.651, 34.237], "relegate_reason": [], "submitted_at": 1789226345, "scored_at": 1789238268, "rank": 3788}, {"candidate_id": "ODC-E3AF3C", "res_at": 1787890700, "skeleton": "SVWOFARPSNPQJM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-16", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 32.751, "axes": {"activity": 12.42, "binding": 10.67, "selectivity": 1.1, "admet": 3.05, "novelty": 3.54, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.345, "fraction": 0.414}, "binding": {"pIC50": 6.76, "LE": 0.272, "potency_term": 0.587, "efficiency_cap": 0.908}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.587}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.69, "herg": 0.153, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.3453246721841765, "aff_pf": -0.7624721129735311, "aff_hs": -0.575589140256246, "repeats_pf": {"runs": 3, "values": [-0.6538, -0.8955, -0.7382], "mean": -0.7625, "spread": 0.2417}, "repeats_hs": {"runs": 3, "values": [-0.5737, -0.5374, -0.6156], "mean": -0.5756, "spread": 0.0782}, "at": 1787890700}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841274, "scored_at": 1787890700, "alerts": [], "rank": 3789}, {"candidate_id": "ODC-2944B7", "res_at": 1786936187, "skeleton": "GTDVICZKMCPKEA", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)(F)F", "total": 32.746, "axes": {"activity": 10.65, "binding": 12.05, "selectivity": 1.73, "admet": 3.53, "novelty": 2.08, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.239, "fraction": 0.355}, "binding": {"pIC50": 6.81, "LE": 0.345, "potency_term": 0.603, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.143, "target_engagement": 0.603}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.319, "ld50-zhu": 0.447, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.239176512148876, "aff_pf": -0.8082025845845541, "aff_hs": -0.5212129950523376, "repeats_pf": {"runs": 3, "values": [-0.7868, -0.7979, -0.8399], "mean": -0.8082, "spread": 0.0531}, "repeats_hs": {"runs": 3, "values": [-0.4875, -0.5495, -0.5267], "mean": -0.5212, "spread": 0.062}, "at": 1786936187}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926371, "scored_at": 1786936187, "alerts": [], "rank": 3790}, {"candidate_id": "ODC-6263C9", "res_at": 1789211011, "skeleton": "VPRNSGYVEDTRRS", "hf_user": "Bio-JS", "display_name": "0912-S1-x2CSC_anilCHF2F", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSCc1nc··········)n2n1", "total": 32.744, "axes": {"activity": 10.41, "binding": 9.75, "selectivity": 4.67, "admet": 3.11, "novelty": 2.72, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 6.46, "LE": 0.369, "potency_term": 0.488, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.658, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.492, "herg": 0.272, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.22484988589636, "aff_pf": -0.46314186851183575, "aff_hs": 0.4939319044351578, "repeats_pf": {"runs": 3, "values": [-0.4584, -0.4682, -0.4628], "mean": -0.4631, "spread": 0.0099}, "repeats_hs": {"runs": 3, "values": [0.6077, 0.1597, 0.7145], "mean": 0.4939, "spread": 0.5548}, "at": 1789211011}, "tier": 1, "alerts": [], "total_sd": 0.686, "total_ci95": [31.21, 33.82], "relegate_reason": [], "submitted_at": 1789177571, "scored_at": 1789211011, "rank": 3791}, {"candidate_id": "ODC-3D4F75", "res_at": 1788312704, "skeleton": "MFKRHFWCMQTANY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········ncn2C", "total": 32.741, "axes": {"activity": 11.51, "binding": 9.41, "selectivity": 4.36, "admet": 2.57, "novelty": 2.54, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.291, "fraction": 0.384}, "binding": {"pIC50": 6.78, "LE": 0.238, "potency_term": 0.593, "efficiency_cap": 0.794}, "selectivity": {"fold": 5.4, "selectivity_term": 0.368, "target_engagement": 0.593}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.871, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.429}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.290611694961439, "aff_pf": -0.7779778639475504, "aff_hs": -0.04289466142654419, "repeats_pf": {"runs": 3, "values": [-0.6759, -0.6593, -0.9988], "mean": -0.778, "spread": 0.3395}, "repeats_hs": {"runs": 3, "values": [-0.1688, -0.1305, 0.1706], "mean": -0.0429, "spread": 0.3394}, "at": 1788312704}, "tier": 1, "alerts": [], "total_sd": 1.891, "total_ci95": [29.941, 36.798], "relegate_reason": [], "submitted_at": 1788310108, "scored_at": 1788312704, "rank": 3792}, {"candidate_id": "ODC-FADAB8", "res_at": 1786981164, "skeleton": "FWVQIEQVZWTYKX", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 32.709, "axes": {"activity": 8.1, "binding": 10.14, "selectivity": 5.78, "admet": 4.71, "novelty": 1.84, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.086, "fraction": 0.27}, "binding": {"pIC50": 6.52, "LE": 0.344, "potency_term": 0.507, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.507}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.334, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.93, "cyp3a4-substrate-carbonmangels": 0.755, "ld50-zhu": 0.689, "herg": 0.6, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.086143120155075, "aff_pf": -0.5209846993287405, "aff_hs": 0.6182059049606323, "repeats_pf": {"runs": 3, "values": [-0.6352, -0.48, -0.4478], "mean": -0.521, "spread": 0.1874}, "repeats_hs": {"runs": 3, "values": [0.6646, 0.598, 0.592], "mean": 0.6182, "spread": 0.0726}, "at": 1786981164}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977589, "scored_at": 1786981164, "alerts": [], "rank": 3793}, {"candidate_id": "ODC-84A715", "res_at": 1786937507, "skeleton": "BQAUVFXSTVRMEC", "hf_user": "1Dmeds", "display_name": "ODC26-R2N-04", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.705, "axes": {"activity": 15.17, "binding": 10.31, "selectivity": 2.18, "admet": 3.06, "novelty": 0.0, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.55, "LE": 0.359, "potency_term": 0.515, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.435, "herg": 0.05, "dili": 0.094}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.510096517867988, "aff_pf": -0.545872300863266, "aff_hs": -0.12360381583372752, "repeats_pf": {"runs": 3, "values": [-0.4931, -0.6425, -0.5019], "mean": -0.5459, "spread": 0.1494}, "repeats_hs": {"runs": 3, "values": [-0.0207, -0.2836, -0.0666], "mean": -0.1236, "spread": 0.2629}, "at": 1786937507}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930989, "scored_at": 1786937507, "alerts": [], "rank": 3794}, {"candidate_id": "ODC-0CD290", "res_at": 1789119296, "skeleton": "ZTJFHYDWECSJHA", "hf_user": "Bio-JS", "display_name": "0911-S1-2pos_CN(C)", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 32.703, "axes": {"activity": 11.71, "binding": 8.9, "selectivity": 4.04, "admet": 3.51, "novelty": 2.72, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.303, "fraction": 0.39}, "binding": {"pIC50": 6.33, "LE": 0.347, "potency_term": 0.445, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.455, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.483, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.901, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.539, "herg": 0.252, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.302572372562316, "aff_pf": -0.33435045679410297, "aff_hs": 0.5750243763128916, "repeats_pf": {"runs": 3, "values": [-0.311, -0.344, -0.348], "mean": -0.3344, "spread": 0.037}, "repeats_hs": {"runs": 3, "values": [0.6556, 0.4212, 0.6483], "mean": 0.575, "spread": 0.2344}, "at": 1789119296}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [31.892, 33.287], "relegate_reason": [], "submitted_at": 1789117024, "scored_at": 1789119296, "rank": 3795}, {"candidate_id": "ODC-BB7784", "res_at": 1789946034, "skeleton": "PKYZVKXLKBBPHK", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cc2n1", "total": 32.701, "axes": {"activity": 11.06, "binding": 10.78, "selectivity": 1.02, "admet": 3.86, "novelty": 3.57, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 6.62, "LE": 0.378, "potency_term": 0.539, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.539}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.421, "ld50-zhu": 0.502, "herg": 0.381, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.263706201338553, "aff_pf": -0.6171050866444906, "aff_hs": -0.4280722538630168, "repeats_pf": {"runs": 3, "values": [-0.672, -0.5, -0.6793], "mean": -0.6171, "spread": 0.1793}, "repeats_hs": {"runs": 3, "values": [-0.6052, -0.3207, -0.3584], "mean": -0.4281, "spread": 0.2845}, "at": 1789946034}, "tier": 1, "alerts": [], "total_sd": 0.991, "total_ci95": [30.611, 34.317], "relegate_reason": [], "submitted_at": 1789828769, "scored_at": 1789946034, "rank": 3796}, {"candidate_id": "ODC-3336E1", "res_at": 1787035219, "skeleton": "CJJJQBLNLIUTIA", "hf_user": "epicsaga", "display_name": "PFD2-01", "model_name": "GLM-5.3", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········cc2n1", "total": 32.696, "axes": {"activity": 17.95, "binding": 3.93, "selectivity": 1.46, "admet": 3.2, "novelty": 3.21, "synthesis": 2.95}, "detail": {"activity": {"pAct_q10": 5.677, "fraction": 0.598}, "binding": {"pIC50": 5.74, "LE": 0.238, "potency_term": 0.247, "efficiency_cap": 0.795}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.247}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.917, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.501}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.676987105569976, "aff_pf": 0.2577524185180664, "aff_hs": 0.8481617967287699, "repeats_pf": {"runs": 3, "values": [0.1621, 0.3621, 0.249], "mean": 0.2578, "spread": 0.2}, "repeats_hs": {"runs": 3, "values": [0.8287, 0.9369, 0.7788], "mean": 0.8482, "spread": 0.1581}, "at": 1787035219}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032528, "scored_at": 1787035219, "alerts": [], "rank": 3797}, {"candidate_id": "ODC-E2E642", "res_at": 1786901113, "skeleton": "GFRFLWYBOHPUFL", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.695, "axes": {"activity": 13.99, "binding": 8.64, "selectivity": 2.84, "admet": 3.39, "novelty": 1.61, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 6.3, "LE": 0.345, "potency_term": 0.432, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.329, "target_engagement": 0.432}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.454, "cyp3a4-substrate-carbonmangels": 0.323, "ld50-zhu": 0.5, "herg": 0.156, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.439171594632282, "aff_pf": -0.29619717597961426, "aff_hs": 0.36091381311416626, "repeats_pf": {"runs": 3, "values": [-0.3765, -0.3336, -0.1784], "mean": -0.2962, "spread": 0.1981}, "repeats_hs": {"runs": 3, "values": [0.2892, 0.4783, 0.3152], "mean": 0.3609, "spread": 0.1891}, "at": 1786901113}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887658, "scored_at": 1786901113, "alerts": [], "rank": 3798}, {"candidate_id": "ODC-3D186E", "res_at": 1788967998, "skeleton": "RAXPEWIVMBANMR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 32.668, "axes": {"activity": 12.24, "binding": 10.43, "selectivity": 1.58, "admet": 3.14, "novelty": 2.88, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.408}, "binding": {"pIC50": 6.56, "LE": 0.333, "potency_term": 0.521, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.151, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.33457105729234, "aff_pf": -0.5638567209243774, "aff_hs": -0.2616218825181325, "repeats_pf": {"runs": 3, "values": [-0.4756, -0.6169, -0.5991], "mean": -0.5639, "spread": 0.1413}, "repeats_hs": {"runs": 3, "values": [-0.252, -0.266, -0.2669], "mean": -0.2616, "spread": 0.0149}, "at": 1788967998}, "tier": 1, "alerts": [], "total_sd": 0.68, "total_ci95": [31.104, 33.672], "relegate_reason": [], "submitted_at": 1788964028, "scored_at": 1788967998, "rank": 3799}, {"candidate_id": "ODC-D6C350", "res_at": 1788090662, "skeleton": "MWPNBCMXWAIDKJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 32.659, "axes": {"activity": 15.71, "binding": 5.32, "selectivity": 3.83, "admet": 2.49, "novelty": 3.23, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.542, "fraction": 0.524}, "binding": {"pIC50": 5.92, "LE": 0.261, "potency_term": 0.305, "efficiency_cap": 0.872}, "selectivity": {"fold": 17.9, "selectivity_term": 0.627, "target_engagement": 0.305}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.937, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.311, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 5.542495060090297, "aff_pf": 0.08393883208433787, "aff_hs": 1.3371401230494182, "repeats_pf": {"runs": 3, "values": [0.1027, 0.1423, 0.0068], "mean": 0.0839, "spread": 0.1355}, "repeats_hs": {"runs": 3, "values": [1.3906, 1.4195, 1.2013], "mean": 1.3371, "spread": 0.2182}, "at": 1788090662}, "tier": 1, "alerts": [], "total_sd": 0.484, "total_ci95": [31.855, 33.728], "relegate_reason": [], "submitted_at": 1788080552, "scored_at": 1788090662, "rank": 3800}, {"candidate_id": "ODC-BD59CA", "res_at": 1787020332, "skeleton": "FIUCXKMMVJWIBA", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.654, "axes": {"activity": 15.36, "binding": 8.54, "selectivity": 1.75, "admet": 2.52, "novelty": 2.07, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.522, "fraction": 0.512}, "binding": {"pIC50": 6.28, "LE": 0.331, "potency_term": 0.427, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.279, "cyp2c9-veith": 0.248, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.521696200803984, "aff_pf": -0.28120577335357666, "aff_hs": 0.12805586059888205, "repeats_pf": {"runs": 3, "values": [-0.249, -0.2987, -0.296], "mean": -0.2812, "spread": 0.0497}, "repeats_hs": {"runs": 3, "values": [0.0129, 0.3758, -0.0045], "mean": 0.1281, "spread": 0.3802}, "at": 1787020332}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019509, "scored_at": 1787020332, "alerts": [], "rank": 3801}, {"candidate_id": "ODC-C8530F", "res_at": 1786765334, "skeleton": "NWPZCSVTANSSLD", "hf_user": "ProPerNounpYK", "display_name": "YoungphilKIM", "model_name": "GLM5.3", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Cl)c(C#N)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 32.63, "axes": {"activity": 12.18, "binding": 10.11, "selectivity": 2.94, "admet": 3.41, "novelty": 1.71, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 6.52, "LE": 0.372, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.626, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.294, "herg": 0.648, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.661, "novelty": 0.339}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.330610706699307, "aff_pf": -0.5162078142166138, "aff_hs": 0.06454198807477951, "at": 1786765334}, "tier": 1, "relegate_reason": [], "submitted_at": 1786764607, "scored_at": 1786765334, "alerts": [], "rank": 3802}, {"candidate_id": "ODC-633090", "res_at": 1787027504, "skeleton": "ATTOKNJPCKBERR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.618, "axes": {"activity": 12.56, "binding": 8.08, "selectivity": 4.82, "admet": 2.91, "novelty": 2.3, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.354, "fraction": 0.419}, "binding": {"pIC50": 6.21, "LE": 0.387, "potency_term": 0.404, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.6, "selectivity_term": 0.597, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.207, "ld50-zhu": 0.504, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.353744722896386, "aff_pf": -0.21175913016001383, "aff_hs": 0.9817196925481161, "repeats_pf": {"runs": 3, "values": [-0.2796, -0.1986, -0.1571], "mean": -0.2118, "spread": 0.1226}, "repeats_hs": {"runs": 3, "values": [0.9374, 1.0083, 0.9995], "mean": 0.9817, "spread": 0.0709}, "at": 1787027504}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025245, "scored_at": 1787027504, "alerts": [], "rank": 3803}, {"candidate_id": "ODC-9D4EDB", "res_at": 1789061248, "skeleton": "RLESKAIXXJAUAI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.615, "axes": {"activity": 13.88, "binding": 7.98, "selectivity": 3.06, "admet": 3.38, "novelty": 2.31, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.2, "LE": 0.34, "potency_term": 0.399, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.384, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.55, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.82, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.651, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.432800982568369, "aff_pf": -0.19747492671012878, "aff_hs": 0.5700684189796448, "repeats_pf": {"runs": 3, "values": [-0.1775, -0.2589, -0.156], "mean": -0.1975, "spread": 0.1029}, "repeats_hs": {"runs": 3, "values": [0.5806, 0.5717, 0.558], "mean": 0.5701, "spread": 0.0226}, "at": 1789061248}, "tier": 1, "alerts": [], "total_sd": 0.309, "total_ci95": [32.113, 33.427], "relegate_reason": [], "submitted_at": 1789041494, "scored_at": 1789061248, "rank": 3804}, {"candidate_id": "ODC-0DF3CA", "res_at": 1789195804, "skeleton": "OJWKKLMDLOJIGM", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_CN(C)_5Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 32.606, "axes": {"activity": 13.33, "binding": 8.31, "selectivity": 2.92, "admet": 3.55, "novelty": 2.58, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.4, "fraction": 0.444}, "binding": {"pIC50": 6.25, "LE": 0.357, "potency_term": 0.415, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.467, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.799, "cyp2c9-veith": 0.858, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.52, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.399795195398904, "aff_pf": -0.24584568540255228, "aff_hs": 0.4574541052182515, "repeats_pf": {"runs": 3, "values": [-0.2618, -0.2217, -0.254], "mean": -0.2458, "spread": 0.0401}, "repeats_hs": {"runs": 3, "values": [0.4809, 0.4883, 0.4031], "mean": 0.4575, "spread": 0.0852}, "at": 1789195804}, "tier": 1, "alerts": [], "total_sd": 0.16, "total_ci95": [32.313, 32.901], "relegate_reason": [], "submitted_at": 1789177469, "scored_at": 1789195804, "rank": 3805}, {"candidate_id": "ODC-34D265", "res_at": 1787187125, "skeleton": "DDJBIPUBWLNTID", "hf_user": "Ku-ku", "display_name": "L7b_vinyl_SpyMe_Br3F", "model_name": "claude-fable-5 (289-cell grid confirm + polar large-HAC entry + off-axis probes)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 32.595, "axes": {"activity": 12.55, "binding": 10.2, "selectivity": 2.16, "admet": 2.03, "novelty": 3.45, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.53, "LE": 0.32, "potency_term": 0.51, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.51}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.223, "ld50-zhu": 0.401, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.353053298352498, "aff_pf": -0.5304718216260275, "aff_hs": -0.10763255755106609, "repeats_pf": {"runs": 3, "values": [-0.5026, -0.6649, -0.424], "mean": -0.5305, "spread": 0.2409}, "repeats_hs": {"runs": 3, "values": [-0.1255, -0.0614, -0.136], "mean": -0.1076, "spread": 0.0746}, "at": 1787187125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184104, "scored_at": 1787187125, "alerts": [], "rank": 3806}, {"candidate_id": "ODC-84A5CD", "res_at": 1789064342, "skeleton": "QPGVTFVIUQSAMG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)nc1", "total": 32.582, "axes": {"activity": 15.54, "binding": 8.93, "selectivity": 0.13, "admet": 2.19, "novelty": 3.53, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 6.56, "LE": 0.257, "potency_term": 0.521, "efficiency_cap": 0.857}, "selectivity": {"fold": 1.1, "selectivity_term": 0.012, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.415, "ld50-zhu": 0.785, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.532140240710566, "aff_pf": -0.5644888381163279, "aff_hs": -0.539776603380839, "repeats_pf": {"runs": 3, "values": [-0.6417, -0.3607, -0.691], "mean": -0.5645, "spread": 0.3303}, "repeats_hs": {"runs": 3, "values": [-0.5025, -0.5433, -0.5736], "mean": -0.5398, "spread": 0.0711}, "at": 1789064342}, "tier": 1, "alerts": [], "total_sd": 0.845, "total_ci95": [31.048, 34.203], "relegate_reason": [], "submitted_at": 1789045870, "scored_at": 1789064342, "rank": 3807}, {"candidate_id": "ODC-49FD5E", "res_at": 1789583210, "skeleton": "UCGOUVWWCSOHGK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.571, "axes": {"activity": 18.68, "binding": 4.43, "selectivity": 0.0, "admet": 2.79, "novelty": 4.26, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.721, "fraction": 0.623}, "binding": {"pIC50": 5.89, "LE": 0.224, "potency_term": 0.297, "efficiency_cap": 0.747}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.297}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.119, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.86, "herg": 0.05, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.721085870025115, "aff_pf": 0.10968086123466492, "aff_hs": -0.0015444556872049968, "repeats_pf": {"runs": 3, "values": [0.2408, 0.3313, -0.2431], "mean": 0.1097, "spread": 0.5744}, "repeats_hs": {"runs": 3, "values": [0.0144, -0.0058, -0.0133], "mean": -0.0015, "spread": 0.0277}, "at": 1789583210}, "tier": 1, "alerts": [], "total_sd": 0.955, "total_ci95": [31.504, 35.7], "relegate_reason": [], "submitted_at": 1789571928, "scored_at": 1789583210, "rank": 3808}, {"candidate_id": "ODC-D43241", "res_at": 1787207054, "skeleton": "KXTMCUAWCWODDJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 32.561, "axes": {"activity": 14.86, "binding": 7.33, "selectivity": 2.1, "admet": 2.7, "novelty": 3.2, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.495}, "binding": {"pIC50": 6.3, "LE": 0.254, "potency_term": 0.433, "efficiency_cap": 0.846}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.248, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.879, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.491520586986738, "aff_pf": -0.2991556227207184, "aff_hs": 0.18568666776021323, "repeats_pf": {"runs": 3, "values": [-0.4342, -0.4692, 0.0059], "mean": -0.2992, "spread": 0.4751}, "repeats_hs": {"runs": 3, "values": [0.3412, 0.5641, -0.3483], "mean": 0.1857, "spread": 0.9123}, "at": 1787207054}, "tier": 1, "relegate_reason": [], "submitted_at": 1787202837, "scored_at": 1787207054, "alerts": [], "rank": 3809}, {"candidate_id": "ODC-9CC434", "res_at": 1788224818, "skeleton": "NOGIHLLRVDVQSU", "hf_user": "Bio-JS", "display_name": "0901-S1 팔 모르폴린 [황 없음 대조]", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 32.56, "axes": {"activity": 15.62, "binding": 5.8, "selectivity": 2.66, "admet": 2.72, "novelty": 3.37, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.521}, "binding": {"pIC50": 6.07, "LE": 0.244, "potency_term": 0.356, "efficiency_cap": 0.815}, "selectivity": {"fold": 5.6, "selectivity_term": 0.374, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 0.81, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.395, "herg": 0.05, "dili": 0.823}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.537493060767526, "aff_pf": -0.06784641742706299, "aff_hs": 0.6807355682055155, "repeats_pf": {"runs": 3, "values": [-0.0627, -0.0789, -0.0619], "mean": -0.0678, "spread": 0.017}, "repeats_hs": {"runs": 3, "values": [0.7622, 0.657, 0.623], "mean": 0.6807, "spread": 0.1392}, "at": 1788224818}, "tier": 1, "alerts": [], "total_sd": 0.129, "total_ci95": [32.332, 32.824], "relegate_reason": [], "submitted_at": 1788222358, "scored_at": 1788224818, "rank": 3810}, {"candidate_id": "ODC-92A7ED", "res_at": 1788221808, "skeleton": "ZWFINYRTERWROG", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 32.558, "axes": {"activity": 10.01, "binding": 10.3, "selectivity": 5.21, "admet": 3.03, "novelty": 2.47, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.201, "fraction": 0.334}, "binding": {"pIC50": 6.54, "LE": 0.309, "potency_term": 0.515, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.506, "target_engagement": 0.515}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.246, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.793, "herg": 0.68, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "0", "pAct_q10": 5.200554781794022, "aff_pf": -0.5449711283047994, "aff_hs": 0.4668398400147756, "repeats_pf": {"runs": 3, "values": [-0.5292, -0.5596, -0.5461], "mean": -0.545, "spread": 0.0305}, "repeats_hs": {"runs": 3, "values": [0.4923, 0.3694, 0.5388], "mean": 0.4668, "spread": 0.1694}, "at": 1788221808}, "tier": 1, "alerts": [], "total_sd": 0.249, "total_ci95": [32.056, 33.051], "relegate_reason": [], "submitted_at": 1788145108, "scored_at": 1788221808, "rank": 3811}, {"candidate_id": "ODC-D69D5B", "res_at": 1789556177, "skeleton": "PSFAEDVOBRWNEV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(S(··········)c1Cl", "total": 32.552, "axes": {"activity": 9.24, "binding": 11.76, "selectivity": 2.97, "admet": 3.58, "novelty": 3.39, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.154, "fraction": 0.308}, "binding": {"pIC50": 6.77, "LE": 0.299, "potency_term": 0.589, "efficiency_cap": 0.997}, "selectivity": {"fold": 3.2, "selectivity_term": 0.252, "target_engagement": 0.589}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.39, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.834, "ld50-zhu": 0.867, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "0", "pAct_q10": 5.154127625178908, "aff_pf": -0.7684474388758341, "aff_hs": -0.26411354541778564, "repeats_pf": {"runs": 3, "values": [-0.7814, -0.8444, -0.6795], "mean": -0.7684, "spread": 0.1649}, "repeats_hs": {"runs": 3, "values": [-0.2518, -0.2265, -0.3141], "mean": -0.2641, "spread": 0.0876}, "at": 1789556177}, "tier": 1, "alerts": [], "total_sd": 0.853, "total_ci95": [30.627, 34.082], "relegate_reason": [], "submitted_at": 1789529733, "scored_at": 1789556177, "rank": 3812}, {"candidate_id": "ODC-4B5C29", "res_at": 1786843553, "skeleton": "JFTBSVDVJGSVIE", "hf_user": "ghost613", "display_name": "MAL-04 SF5-aniline selectivity-maximal", "model_name": "antropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.54, "axes": {"activity": 7.51, "binding": 12.29, "selectivity": 6.33, "admet": 4.0, "novelty": 0.0, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.05, "fraction": 0.25}, "binding": {"pIC50": 6.84, "LE": 0.361, "potency_term": 0.614, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.7, "selectivity_term": 0.515, "target_engagement": 0.614}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.622, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.424, "ld50-zhu": 0.794, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.050499197371567, "aff_pf": -0.8432674209276835, "aff_hs": 0.18675502141316733, "repeats_pf": {"runs": 3, "values": [-0.869, -0.8507, -0.8101], "mean": -0.8433, "spread": 0.0589}, "repeats_hs": {"runs": 3, "values": [0.1986, 0.2647, 0.097], "mean": 0.1868, "spread": 0.1677}, "at": 1786843553}, "tier": 1, "relegate_reason": [], "submitted_at": 1786820770, "scored_at": 1786843553, "alerts": [], "rank": 3813}, {"candidate_id": "ODC-8DEB22", "res_at": 1786904877, "skeleton": "AYPNKXCMMPXJPL", "hf_user": "1Dmeds", "display_name": "ODC26-DSM1465", "model_name": "OpenAI GPT-5.6 Luna + Terra red-team", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 32.539, "axes": {"activity": 12.96, "binding": 10.58, "selectivity": 4.29, "admet": 3.08, "novelty": 0.0, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 6.63, "LE": 0.293, "potency_term": 0.542, "efficiency_cap": 0.976}, "selectivity": {"fold": 6.2, "selectivity_term": 0.396, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.924, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "2", "pAct_q10": 5.377422873954981, "aff_pf": -0.6256964008013407, "aff_hs": 0.16535592575867972, "repeats_pf": {"runs": 3, "values": [-0.6384, -0.5691, -0.6696], "mean": -0.6257, "spread": 0.1004}, "repeats_hs": {"runs": 3, "values": [0.1462, 0.127, 0.2228], "mean": 0.1654, "spread": 0.0958}, "at": 1786904877}, "tier": 1, "relegate_reason": [], "submitted_at": 1786902172, "scored_at": 1786904877, "alerts": [], "rank": 3814}, {"candidate_id": "ODC-723037", "res_at": 1789588534, "skeleton": "FBGJXDDHGQPSEH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········C)CC1", "total": 32.519, "axes": {"activity": 16.25, "binding": 6.54, "selectivity": 0.35, "admet": 3.44, "novelty": 4.0, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.575, "fraction": 0.542}, "binding": {"pIC50": 6.24, "LE": 0.237, "potency_term": 0.413, "efficiency_cap": 0.791}, "selectivity": {"fold": 1.2, "selectivity_term": 0.043, "target_engagement": 0.413}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.566, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.781, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 5.575268688095559, "aff_pf": -0.2387573222319285, "aff_hs": -0.1528471310933431, "repeats_pf": {"runs": 3, "values": [-0.3293, -0.1692, -0.2177], "mean": -0.2388, "spread": 0.1602}, "repeats_hs": {"runs": 3, "values": [-0.1506, -0.2581, -0.0498], "mean": -0.1528, "spread": 0.2083}, "at": 1789588534}, "tier": 1, "alerts": [], "total_sd": 0.466, "total_ci95": [31.829, 33.526], "relegate_reason": [], "submitted_at": 1789571971, "scored_at": 1789588534, "rank": 3815}, {"candidate_id": "ODC-2EBC2D", "res_at": 1789954708, "skeleton": "OUZTUHFKJCHUJO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 32.503, "axes": {"activity": 19.45, "binding": 1.85, "selectivity": 0.24, "admet": 3.99, "novelty": 4.61, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.767, "fraction": 0.648}, "binding": {"pIC50": 5.41, "LE": 0.2, "potency_term": 0.138, "efficiency_cap": 0.668}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 0.886, "pgp-broccatelli": 0.238, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.769, "herg": 0.05, "dili": 0.221}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.766740374174403, "aff_pf": 0.5856215357780457, "aff_hs": 0.7591886719067892, "repeats_pf": {"runs": 3, "values": [0.3759, 0.9819, 0.399], "mean": 0.5856, "spread": 0.606}, "repeats_hs": {"runs": 3, "values": [0.7538, 0.9838, 0.54], "mean": 0.7592, "spread": 0.4438}, "at": 1789954708}, "tier": 1, "alerts": [], "total_sd": 0.961, "total_ci95": [30.492, 34.273], "relegate_reason": [], "submitted_at": 1789863652, "scored_at": 1789954708, "rank": 3816}, {"candidate_id": "ODC-863005", "res_at": 1789299877, "skeleton": "QLLHXSCLNPGWRW", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.486, "axes": {"activity": 15.34, "binding": 6.91, "selectivity": 2.67, "admet": 2.67, "novelty": 2.96, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.52, "fraction": 0.511}, "binding": {"pIC50": 6.04, "LE": 0.345, "potency_term": 0.346, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.386, "target_engagement": 0.346}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.922, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.565, "herg": 0.467, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 5.520112203557843, "aff_pf": -0.03680434823036194, "aff_hs": 0.7351069649060568, "repeats_pf": {"runs": 3, "values": [-0.0408, -0.028, -0.0416], "mean": -0.0368, "spread": 0.0135}, "repeats_hs": {"runs": 3, "values": [0.7795, 0.7527, 0.6731], "mean": 0.7351, "spread": 0.1064}, "at": 1789299877}, "tier": 1, "alerts": [], "total_sd": 0.104, "total_ci95": [32.268, 32.659], "relegate_reason": [], "submitted_at": 1789297584, "scored_at": 1789299877, "rank": 3817}, {"candidate_id": "ODC-41541B", "res_at": 1787059601, "skeleton": "MRVPKLNQUQJACP", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········)c1=O", "total": 32.485, "axes": {"activity": 16.16, "binding": 5.72, "selectivity": 0.9, "admet": 4.43, "novelty": 4.25, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 5.86, "LE": 0.334, "potency_term": 0.286, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.286}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.991, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.561, "herg": 0.246, "dili": 0.749}}, "novelty": {"max_tanimoto": 0.211, "novelty": 0.789}, "synthesis": {"sa_score": 4.66}}, "run": {"gpu": "3", "pAct_q10": 5.569604908428037, "aff_pf": 0.14252578715483347, "aff_hs": 0.4578184386094411, "repeats_pf": {"runs": 3, "values": [0.1395, 0.12, 0.1681], "mean": 0.1425, "spread": 0.0482}, "repeats_hs": {"runs": 3, "values": [0.4584, 0.4953, 0.4198], "mean": 0.4578, "spread": 0.0755}, "at": 1787059601}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057894, "scored_at": 1787059601, "alerts": [], "rank": 3818}, {"candidate_id": "ODC-1A8732", "res_at": 1787425311, "skeleton": "IRJUKDPUKGOYIG", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 32.484, "axes": {"activity": 15.08, "binding": 7.54, "selectivity": 2.43, "admet": 1.85, "novelty": 3.26, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 6.33, "LE": 0.255, "potency_term": 0.443, "efficiency_cap": 0.85}, "selectivity": {"fold": 3.5, "selectivity_term": 0.275, "target_engagement": 0.443}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.504851496803459, "aff_pf": -0.3296997894843419, "aff_hs": 0.21943535407384238, "repeats_pf": {"runs": 3, "values": [-0.4049, 0.0027, -0.5869], "mean": -0.3297, "spread": 0.5897}, "repeats_hs": {"runs": 3, "values": [0.4877, -0.4816, 0.6522], "mean": 0.2194, "spread": 1.1338}, "at": 1787425311}, "tier": 1, "relegate_reason": [], "submitted_at": 1787424332, "scored_at": 1787425311, "alerts": [], "rank": 3819}, {"candidate_id": "ODC-0A4054", "res_at": 1786792086, "skeleton": "MQBVBUBADJVAFH", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "omo-Claude-plus-local-gate-screen", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.483, "axes": {"activity": 11.92, "binding": 12.16, "selectivity": 0.04, "admet": 3.89, "novelty": 1.67, "synthesis": 2.8}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.82, "LE": 0.36, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.568, "cyp3a4-substrate-carbonmangels": 0.235, "ld50-zhu": 0.4, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.725, "novelty": 0.275}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.315479887599675, "aff_pf": -0.823570708433787, "aff_hs": -0.8173123399416605, "repeats_pf": {"runs": 3, "values": [-0.8546, -0.8099, -0.8061], "mean": -0.8236, "spread": 0.0485}, "repeats_hs": {"runs": 3, "values": [-0.8148, -0.8392, -0.798], "mean": -0.8173, "spread": 0.0412}, "at": 1786792086}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782961, "scored_at": 1786792086, "alerts": [], "rank": 3820}, {"candidate_id": "ODC-5947B7", "res_at": 1788790192, "skeleton": "UKRZOSQBMJNVAW", "hf_user": "Bio-JS", "display_name": "0907-S1-09", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 32.457, "axes": {"activity": 16.01, "binding": 6.47, "selectivity": 1.84, "admet": 2.38, "novelty": 3.1, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.534}, "binding": {"pIC50": 6.11, "LE": 0.262, "potency_term": 0.371, "efficiency_cap": 0.872}, "selectivity": {"fold": 3.1, "selectivity_term": 0.248, "target_engagement": 0.371}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.511, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 5.5603246205089984, "aff_pf": -0.11237843334674835, "aff_hs": 0.38364120076100033, "repeats_pf": {"runs": 3, "values": [-0.243, -0.0275, -0.0666], "mean": -0.1124, "spread": 0.2155}, "repeats_hs": {"runs": 3, "values": [0.4817, 0.5647, 0.1044], "mean": 0.3836, "spread": 0.4603}, "at": 1788790192}, "tier": 1, "alerts": [], "total_sd": 0.754, "total_ci95": [31.31, 34.128], "relegate_reason": [], "submitted_at": 1788707691, "scored_at": 1788790192, "rank": 3821}, {"candidate_id": "ODC-A11EFA", "res_at": 1786885667, "skeleton": "ADMINHRSLSALBY", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.45, "axes": {"activity": 11.42, "binding": 9.92, "selectivity": 4.31, "admet": 3.08, "novelty": 1.29, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.381}, "binding": {"pIC50": 6.49, "LE": 0.356, "potency_term": 0.496, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.496}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.537, "cyp3a4-substrate-carbonmangels": 0.248, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.74, "novelty": 0.26}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "2", "pAct_q10": 5.285403423184928, "aff_pf": -0.488102525472641, "aff_hs": 0.3816499412059784, "repeats_pf": {"runs": 3, "values": [-0.3624, -0.5883, -0.5136], "mean": -0.4881, "spread": 0.226}, "repeats_hs": {"runs": 3, "values": [0.3563, 0.4069, 0.3817], "mean": 0.3816, "spread": 0.0507}, "at": 1786885667}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878949, "scored_at": 1786885667, "alerts": [], "rank": 3822}, {"candidate_id": "ODC-F05B1A", "res_at": 1786860862, "skeleton": "SITNTKTWRALOFE", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.442, "axes": {"activity": 13.86, "binding": 9.88, "selectivity": 2.33, "admet": 3.52, "novelty": 0.74, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.432, "fraction": 0.462}, "binding": {"pIC50": 6.48, "LE": 0.342, "potency_term": 0.494, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.494}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.535, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.471, "herg": 0.05, "dili": 0.237}}, "novelty": {"max_tanimoto": 0.851, "novelty": 0.149}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.431840879248689, "aff_pf": -0.48255588610967, "aff_hs": -0.011006993552049002, "repeats_pf": {"runs": 3, "values": [-0.5073, -0.4512, -0.4891], "mean": -0.4826, "spread": 0.0561}, "repeats_hs": {"runs": 3, "values": [-0.0214, -0.0412, 0.0295], "mean": -0.011, "spread": 0.0707}, "at": 1786860862}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850295, "scored_at": 1786860862, "alerts": [], "rank": 3823}, {"candidate_id": "ODC-3032A3", "res_at": 1786846684, "skeleton": "UAVJBRCAIFOBAC", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2(CO)CC2)s1", "smiles_masked": null, "total": 32.441, "axes": {"activity": 6.68, "binding": 10.96, "selectivity": 5.85, "admet": 4.89, "novelty": 1.68, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.001, "fraction": 0.223}, "binding": {"pIC50": 6.64, "LE": 0.364, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.613, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.958, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.437, "ld50-zhu": 0.58, "herg": 0.223, "dili": 0.279}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "1", "pAct_q10": 5.000727935679993, "aff_pf": -0.6446171800295512, "aff_hs": 0.42298341790835065, "repeats_pf": {"runs": 3, "values": [-0.505, -0.7688, -0.6601], "mean": -0.6446, "spread": 0.2638}, "repeats_hs": {"runs": 3, "values": [0.2427, 0.6093, 0.4169], "mean": 0.423, "spread": 0.3666}, "at": 1786846684}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845784, "scored_at": 1786846684, "alerts": [], "rank": 3824}, {"candidate_id": "ODC-77A974", "res_at": 1786949408, "skeleton": "HNTQTCYPRMLXEL", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.426, "axes": {"activity": 13.57, "binding": 8.01, "selectivity": 2.76, "admet": 3.84, "novelty": 2.05, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.414, "fraction": 0.452}, "binding": {"pIC50": 6.2, "LE": 0.425, "potency_term": 0.401, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.424, "cyp3a4-substrate-carbonmangels": 0.461, "ld50-zhu": 0.475, "herg": 0.637, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "2", "pAct_q10": 5.414106798451952, "aff_pf": -0.20163960754871368, "aff_hs": 0.48701930046081543, "repeats_pf": {"runs": 3, "values": [-0.2257, -0.2077, -0.1716], "mean": -0.2016, "spread": 0.0541}, "repeats_hs": {"runs": 3, "values": [0.5181, 0.4572, 0.4858], "mean": 0.487, "spread": 0.0609}, "at": 1786949408}, "tier": 1, "relegate_reason": [], "submitted_at": 1786938800, "scored_at": 1786949408, "alerts": [], "rank": 3825}, {"candidate_id": "ODC-EA7123", "res_at": 1786987340, "skeleton": "CYNLVVNZJPMOOT", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-08", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.424, "axes": {"activity": 12.51, "binding": 8.0, "selectivity": 5.26, "admet": 2.6, "novelty": 2.27, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.2, "LE": 0.369, "potency_term": 0.4, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.6, "selectivity_term": 0.657, "target_engagement": 0.4}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.683, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.363, "ld50-zhu": 0.445, "herg": 0.078, "dili": 0.109}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.35056874113497, "aff_pf": -0.200685515999794, "aff_hs": 1.1140802303949993, "repeats_pf": {"runs": 3, "values": [-0.2767, -0.1752, -0.1501], "mean": -0.2007, "spread": 0.1266}, "repeats_hs": {"runs": 3, "values": [1.0779, 1.1208, 1.1436], "mean": 1.1141, "spread": 0.0657}, "at": 1786987340}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980865, "scored_at": 1786987340, "alerts": [], "rank": 3826}, {"candidate_id": "ODC-027CF5", "res_at": 1789999850, "skeleton": "PQZOPUXOHPRWEB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 32.394, "axes": {"activity": 18.39, "binding": 3.67, "selectivity": 0.0, "admet": 3.39, "novelty": 4.41, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.704, "fraction": 0.613}, "binding": {"pIC50": 5.75, "LE": 0.219, "potency_term": 0.251, "efficiency_cap": 0.73}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.456, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "2", "pAct_q10": 5.703566065262286, "aff_pf": 0.24589208761850992, "aff_hs": 0.2172390272219976, "repeats_pf": {"runs": 3, "values": [0.2139, 0.2571, 0.2668], "mean": 0.2459, "spread": 0.0529}, "repeats_hs": {"runs": 3, "values": [0.1379, 0.2463, 0.2676], "mean": 0.2172, "spread": 0.1297}, "at": 1789999850}, "tier": 1, "alerts": [], "total_sd": 0.092, "total_ci95": [32.281, 32.598], "relegate_reason": [], "submitted_at": 1789993041, "scored_at": 1789999850, "rank": 3827}, {"candidate_id": "ODC-7A5108", "res_at": 1789630616, "skeleton": "OZPUPTAEWXMTCU", "hf_user": "Bio-JS", "display_name": "0917-S1-div03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 32.385, "axes": {"activity": 10.45, "binding": 8.66, "selectivity": 5.87, "admet": 3.33, "novelty": 2.71, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.227, "fraction": 0.348}, "binding": {"pIC50": 6.3, "LE": 0.345, "potency_term": 0.433, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.6, "selectivity_term": 0.678, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.764, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.42, "herg": 0.816, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.2270210101558545, "aff_pf": -0.29883065819740295, "aff_hs": 1.0561764637629192, "repeats_pf": {"runs": 3, "values": [-0.3721, -0.2727, -0.2517], "mean": -0.2988, "spread": 0.1204}, "repeats_hs": {"runs": 3, "values": [1.1012, 0.9362, 1.1311], "mean": 1.0562, "spread": 0.1949}, "at": 1789630616}, "tier": 1, "alerts": [], "total_sd": 0.683, "total_ci95": [31.308, 33.661], "relegate_reason": [], "submitted_at": 1789628550, "scored_at": 1789630616, "rank": 3828}, {"candidate_id": "ODC-017547", "res_at": 1788146708, "skeleton": "MGZRPVDTTRCLGW", "hf_user": "Bio-JS", "display_name": "L5 링커 S · 5점 사다리의 빠진 계단", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.367, "axes": {"activity": 14.67, "binding": 6.51, "selectivity": 3.23, "admet": 2.71, "novelty": 3.18, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 5.98, "LE": 0.341, "potency_term": 0.325, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.325}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.706, "ld50-zhu": 0.555, "herg": 0.2, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.479994433099511, "aff_pf": 0.023568214227755863, "aff_hs": 1.0153109431266785, "repeats_pf": {"runs": 3, "values": [0.0966, 0.0052, -0.031], "mean": 0.0236, "spread": 0.1276}, "repeats_hs": {"runs": 3, "values": [0.9912, 1.034, 1.0207], "mean": 1.0153, "spread": 0.0429}, "at": 1788146708}, "tier": 1, "alerts": [], "total_sd": 0.411, "total_ci95": [31.448, 33.065], "relegate_reason": [], "submitted_at": 1788139324, "scored_at": 1788146708, "rank": 3829}, {"candidate_id": "ODC-F3C0C3", "res_at": 1788598481, "skeleton": "NVQNMRSNMKAORY", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 32.365, "axes": {"activity": 13.05, "binding": 9.85, "selectivity": 3.99, "admet": 3.09, "novelty": 0.87, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.383, "fraction": 0.435}, "binding": {"pIC50": 6.53, "LE": 0.289, "potency_term": 0.512, "efficiency_cap": 0.963}, "selectivity": {"fold": 6.0, "selectivity_term": 0.39, "target_engagement": 0.512}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.177, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.823, "novelty": 0.177}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "0", "pAct_q10": 5.3828412717166385, "aff_pf": -0.534621795018514, "aff_hs": 0.24626822769641876, "repeats_pf": {"runs": 3, "values": [-0.5185, -0.5506, -0.5348], "mean": -0.5346, "spread": 0.0322}, "repeats_hs": {"runs": 3, "values": [0.2469, 0.2528, 0.2391], "mean": 0.2463, "spread": 0.0137}, "at": 1788598481}, "tier": 1, "alerts": [], "total_sd": 0.149, "total_ci95": [32.043, 32.673], "relegate_reason": [], "submitted_at": 1788570676, "scored_at": 1788598481, "rank": 3830}, {"candidate_id": "ODC-D260B6", "res_at": 1787892661, "skeleton": "HTRFUKQEWJJOCO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-10", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 32.345, "axes": {"activity": 12.91, "binding": 10.68, "selectivity": 0.15, "admet": 3.15, "novelty": 3.3, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.375, "fraction": 0.43}, "binding": {"pIC50": 6.68, "LE": 0.286, "potency_term": 0.56, "efficiency_cap": 0.953}, "selectivity": {"fold": 1.1, "selectivity_term": 0.013, "target_engagement": 0.56}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.931, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.591, "herg": 0.384, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.37468173706961, "aff_pf": -0.6807999412218729, "aff_hs": -0.6539440353711446, "repeats_pf": {"runs": 3, "values": [-0.6938, -0.633, -0.7156], "mean": -0.6808, "spread": 0.0826}, "repeats_hs": {"runs": 3, "values": [-0.5221, -0.7455, -0.6943], "mean": -0.6539, "spread": 0.2234}, "at": 1787892661}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841206, "scored_at": 1787892661, "alerts": [], "rank": 3831}, {"candidate_id": "ODC-261D47", "res_at": 1789340746, "skeleton": "DDNWAVONXVXZSN", "hf_user": "bestdeeplearning", "display_name": "Aleksei Solonskii", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.345, "axes": {"activity": 15.09, "binding": 7.25, "selectivity": 2.37, "admet": 3.76, "novelty": 1.65, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 6.09, "LE": 0.334, "potency_term": 0.362, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.362}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.806, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.447, "herg": 0.374, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.672, "novelty": 0.328}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.505491011078848, "aff_pf": -0.08685683955748875, "aff_hs": 0.5669420758883158, "repeats_pf": {"runs": 3, "values": [-0.1097, -0.0221, -0.1287], "mean": -0.0869, "spread": 0.1066}, "repeats_hs": {"runs": 3, "values": [0.5492, 0.5057, 0.6459], "mean": 0.5669, "spread": 0.1401}, "at": 1789340746}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [31.661, 32.927], "relegate_reason": [], "submitted_at": 1789334083, "scored_at": 1789340746, "rank": 3832}, {"candidate_id": "ODC-0A8928", "res_at": 1787137362, "skeleton": "IBJZECOKDLABQQ", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.323, "axes": {"activity": 7.54, "binding": 10.98, "selectivity": 4.74, "admet": 3.6, "novelty": 3.02, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.052, "fraction": 0.251}, "binding": {"pIC50": 6.65, "LE": 0.379, "potency_term": 0.549, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.549}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.636, "herg": 0.4, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.052327361935122, "aff_pf": -0.6474097768465678, "aff_hs": 0.21544124682744345, "repeats_pf": {"runs": 3, "values": [-0.7448, -0.5629, -0.6345], "mean": -0.6474, "spread": 0.1819}, "repeats_hs": {"runs": 3, "values": [0.2494, 0.2243, 0.1726], "mean": 0.2154, "spread": 0.0768}, "at": 1787137362}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135521, "scored_at": 1787137362, "alerts": [], "rank": 3833}, {"candidate_id": "ODC-C4AE6D", "res_at": 1787428698, "skeleton": "XNMFJERLZUOJEH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 32.32, "axes": {"activity": 15.9, "binding": 5.77, "selectivity": 3.13, "admet": 2.26, "novelty": 3.02, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.554, "fraction": 0.53}, "binding": {"pIC50": 6.14, "LE": 0.227, "potency_term": 0.381, "efficiency_cap": 0.758}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.381}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.88, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.43, "novelty": 0.57}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.553784944729352, "aff_pf": -0.1419987678527832, "aff_hs": 0.6797075668970743, "repeats_pf": {"runs": 3, "values": [-0.0886, -0.084, -0.2534], "mean": -0.142, "spread": 0.1693}, "repeats_hs": {"runs": 3, "values": [0.6927, 0.6148, 0.7316], "mean": 0.6797, "spread": 0.1168}, "at": 1787428698}, "tier": 1, "relegate_reason": [], "submitted_at": 1787427457, "scored_at": 1787428698, "alerts": [], "rank": 3834}, {"candidate_id": "ODC-544B78", "res_at": 1786907673, "skeleton": "WJAHJEAJNYUFDL", "hf_user": "1Dmeds", "display_name": "ODC26-R5B-C6OEt", "model_name": "claude-sonnet-4-6", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1c(··········(F)c1", "total": 32.31, "axes": {"activity": 16.66, "binding": 4.74, "selectivity": 2.11, "admet": 2.82, "novelty": 3.45, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.6, "fraction": 0.555}, "binding": {"pIC50": 5.71, "LE": 0.326, "potency_term": 0.237, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.445, "target_engagement": 0.237}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.59970672109755, "aff_pf": 0.28956174353758496, "aff_hs": 1.1799097061157227, "repeats_pf": {"runs": 3, "values": [0.181, 0.1894, 0.4982], "mean": 0.2896, "spread": 0.3172}, "repeats_hs": {"runs": 3, "values": [1.2201, 1.1702, 1.1494], "mean": 1.1799, "spread": 0.0707}, "at": 1786907673}, "tier": 1, "relegate_reason": [], "submitted_at": 1786896178, "scored_at": 1786907673, "alerts": [], "rank": 3835}, {"candidate_id": "ODC-A7F480", "res_at": 1787501234, "skeleton": "HKEAEFSUKVUMNO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.298, "axes": {"activity": 12.13, "binding": 10.36, "selectivity": 2.78, "admet": 3.81, "novelty": 1.27, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.404}, "binding": {"pIC50": 6.55, "LE": 0.333, "potency_term": 0.518, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.518}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.688, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.568}}, "novelty": {"max_tanimoto": 0.754, "novelty": 0.246}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.327796524437346, "aff_pf": -0.5547280708948771, "aff_hs": -0.01799752873679002, "repeats_pf": {"runs": 3, "values": [-0.5711, -0.5679, -0.5252], "mean": -0.5547, "spread": 0.0459}, "repeats_hs": {"runs": 3, "values": [0.05, 0.0109, -0.1149], "mean": -0.018, "spread": 0.1649}, "at": 1787501234}, "tier": 1, "relegate_reason": [], "submitted_at": 1787494159, "scored_at": 1787501234, "alerts": [], "rank": 3836}, {"candidate_id": "ODC-5FC1F9", "res_at": 1786844002, "skeleton": "ZMZYEABAQZLVLK", "hf_user": "Melchi-zedek", "display_name": "Codex-PfDHODH-04-Balanced", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.283, "axes": {"activity": 11.22, "binding": 11.39, "selectivity": 0.0, "admet": 4.26, "novelty": 2.99, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 6.71, "LE": 0.368, "potency_term": 0.57, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.824, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.606, "herg": 0.491, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "1", "pAct_q10": 5.272997282631775, "aff_pf": -0.7087583939234415, "aff_hs": -0.9770427147547404, "repeats_pf": {"runs": 3, "values": [-0.6744, -0.72, -0.7318], "mean": -0.7088, "spread": 0.0573}, "repeats_hs": {"runs": 3, "values": [-0.9333, -0.9635, -1.0343], "mean": -0.977, "spread": 0.101}, "at": 1786844002}, "tier": 1, "relegate_reason": [], "submitted_at": 1786826283, "scored_at": 1786844002, "alerts": [], "rank": 3837}, {"candidate_id": "ODC-D015D7", "res_at": 1786840985, "skeleton": "ZASOEAZJTJDGOZ", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.277, "axes": {"activity": 18.32, "binding": 5.33, "selectivity": 1.7, "admet": 2.38, "novelty": 1.8, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.699, "fraction": 0.611}, "binding": {"pIC50": 6.02, "LE": 0.236, "potency_term": 0.339, "efficiency_cap": 0.785}, "selectivity": {"fold": 3.2, "selectivity_term": 0.251, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.135, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.698941750675526, "aff_pf": -0.018298556407292683, "aff_hs": 0.4834197958310445, "repeats_pf": {"runs": 3, "values": [0.0483, -0.0706, -0.0326], "mean": -0.0183, "spread": 0.1189}, "repeats_hs": {"runs": 3, "values": [0.4478, 0.4343, 0.5682], "mean": 0.4834, "spread": 0.1338}, "at": 1786840985}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806808, "scored_at": 1786840985, "alerts": [], "rank": 3838}, {"candidate_id": "ODC-F9E8B9", "res_at": 1789888505, "skeleton": "QUDIELXZIQPYHL", "hf_user": "Bio-JS", "display_name": "0918-S1-div02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 32.27, "axes": {"activity": 11.23, "binding": 10.43, "selectivity": 1.74, "admet": 3.48, "novelty": 3.24, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 6.57, "LE": 0.375, "potency_term": 0.522, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.167, "target_engagement": 0.522}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.459, "ld50-zhu": 0.559, "herg": 0.185, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.273698216033667, "aff_pf": -0.5650014877319336, "aff_hs": -0.23058870931466421, "repeats_pf": {"runs": 3, "values": [-0.5521, -0.4782, -0.6647], "mean": -0.565, "spread": 0.1865}, "repeats_hs": {"runs": 3, "values": [-0.2242, -0.1783, -0.2893], "mean": -0.2306, "spread": 0.1111}, "at": 1789888505}, "tier": 1, "alerts": [], "total_sd": 0.785, "total_ci95": [30.6, 33.644], "relegate_reason": [], "submitted_at": 1789687009, "scored_at": 1789888505, "rank": 3839}, {"candidate_id": "ODC-A7BEF6", "res_at": 1786976813, "skeleton": "QQPJTFQCISNENN", "hf_user": "takutoyo", "display_name": "PfD3-08", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "FC1(F)C··········2)CC1", "total": 32.267, "axes": {"activity": 18.57, "binding": 3.24, "selectivity": 2.22, "admet": 3.7, "novelty": 2.33, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.714, "fraction": 0.619}, "binding": {"pIC50": 5.64, "LE": 0.227, "potency_term": 0.214, "efficiency_cap": 0.758}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.214}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.502, "cyp3a4-substrate-carbonmangels": 0.659, "ld50-zhu": 0.92, "herg": 0.05, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.713966144244467, "aff_pf": 0.35839951038360596, "aff_hs": 1.3969744046529133, "repeats_pf": {"runs": 3, "values": [0.3578, 0.387, 0.3304], "mean": 0.3584, "spread": 0.0567}, "repeats_hs": {"runs": 3, "values": [1.4189, 1.3747, 1.3973], "mean": 1.397, "spread": 0.0442}, "at": 1786976813}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975737, "scored_at": 1786976813, "alerts": [], "rank": 3840}, {"candidate_id": "ODC-0885B9", "res_at": 1787421382, "skeleton": "PJWPGVVLRJWZRL", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 32.261, "axes": {"activity": 19.69, "binding": 2.68, "selectivity": 0.09, "admet": 2.59, "novelty": 4.44, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.782, "fraction": 0.656}, "binding": {"pIC50": 5.6, "LE": 0.202, "potency_term": 0.199, "efficiency_cap": 0.673}, "selectivity": {"fold": 1.1, "selectivity_term": 0.022, "target_engagement": 0.199}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.832, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.781526738954237, "aff_pf": 0.40293652812639874, "aff_hs": 0.4466266433397929, "repeats_pf": {"runs": 3, "values": [0.3353, 0.3713, 0.5022], "mean": 0.4029, "spread": 0.167}, "repeats_hs": {"runs": 3, "values": [0.5082, 0.3742, 0.4575], "mean": 0.4466, "spread": 0.134}, "at": 1787421382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787420948, "scored_at": 1787421382, "alerts": [], "rank": 3841}, {"candidate_id": "ODC-B2C8D3", "res_at": 1787555119, "skeleton": "QIIWOSYZOZDDLW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)C··········2)CC1", "total": 32.256, "axes": {"activity": 18.33, "binding": 2.75, "selectivity": 0.0, "admet": 5.13, "novelty": 4.52, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.7, "fraction": 0.611}, "binding": {"pIC50": 5.48, "LE": 0.259, "potency_term": 0.159, "efficiency_cap": 0.863}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.159}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 0.991, "pgp-broccatelli": 0.74, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.951, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "3", "pAct_q10": 5.699640754836335, "aff_pf": 0.5221996605396271, "aff_hs": 0.24007336298624674, "repeats_pf": {"runs": 3, "values": [0.4714, 0.5189, 0.5763], "mean": 0.5222, "spread": 0.1049}, "repeats_hs": {"runs": 3, "values": [0.211, 0.2845, 0.2248], "mean": 0.2401, "spread": 0.0735}, "at": 1787555119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537142, "scored_at": 1787555119, "alerts": [], "rank": 3842}, {"candidate_id": "ODC-90F6BE", "res_at": 1787916130, "skeleton": "KZWHIFBNPHUNCD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.253, "axes": {"activity": 6.94, "binding": 11.07, "selectivity": 5.58, "admet": 4.29, "novelty": 1.61, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.016, "fraction": 0.231}, "binding": {"pIC50": 6.66, "LE": 0.397, "potency_term": 0.553, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.553}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.647, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.907, "cyp3a4-substrate-carbonmangels": 0.08, "ld50-zhu": 0.263, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.708, "novelty": 0.292}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 5.016328599269165, "aff_pf": -0.659761389096578, "aff_hs": 0.34939416746298474, "repeats_pf": {"runs": 3, "values": [-0.5802, -0.76, -0.6391], "mean": -0.6598, "spread": 0.1798}, "repeats_hs": {"runs": 3, "values": [0.4762, 0.3817, 0.1902], "mean": 0.3494, "spread": 0.286}, "at": 1787916130}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898815, "scored_at": 1787916130, "alerts": [], "rank": 3843}, {"candidate_id": "ODC-6776F5", "res_at": 1788807959, "skeleton": "VIDUWMHGWSJTBH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 32.25, "axes": {"activity": 6.89, "binding": 11.98, "selectivity": 3.82, "admet": 3.86, "novelty": 3.14, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.013, "fraction": 0.23}, "binding": {"pIC50": 6.8, "LE": 0.372, "potency_term": 0.599, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.319, "target_engagement": 0.599}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.013287914220289, "aff_pf": -0.7962626814842224, "aff_hs": -0.15866433084011078, "repeats_pf": {"runs": 3, "values": [-0.8103, -0.8262, -0.7523], "mean": -0.7963, "spread": 0.0738}, "repeats_hs": {"runs": 3, "values": [-0.1662, -0.1827, -0.127], "mean": -0.1587, "spread": 0.0557}, "at": 1788807959}, "tier": 1, "alerts": [], "total_sd": 0.399, "total_ci95": [31.373, 32.861], "relegate_reason": [], "submitted_at": 1788737379, "scored_at": 1788807959, "rank": 3844}, {"candidate_id": "ODC-E32088", "res_at": 1787697057, "skeleton": "GSVGUIGLBFMKCA", "hf_user": "Bio-JS", "display_name": "팔 사다리: 4-모르폴리노페닐 (12, −2 중원자)", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 32.225, "axes": {"activity": 17.06, "binding": 5.21, "selectivity": 1.93, "admet": 1.83, "novelty": 3.68, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.624, "fraction": 0.569}, "binding": {"pIC50": 5.97, "LE": 0.241, "potency_term": 0.325, "efficiency_cap": 0.802}, "selectivity": {"fold": 3.9, "selectivity_term": 0.297, "target_engagement": 0.325}, "admet": {"geometric_mean": 0.215, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.348, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.43, "herg": 0.05, "dili": 0.275}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.623641238600937, "aff_pf": 0.025454729795455933, "aff_hs": 0.6192447741826376, "repeats_pf": {"runs": 3, "values": [-0.0441, 0.0874, 0.0331], "mean": 0.0255, "spread": 0.1316}, "repeats_hs": {"runs": 3, "values": [0.4885, 0.694, 0.6751], "mean": 0.6192, "spread": 0.2055}, "at": 1787697057}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696878, "scored_at": 1787697057, "alerts": [], "rank": 3845}, {"candidate_id": "ODC-B01A5B", "res_at": 1789974385, "skeleton": "QJOADGXNDAXKAI", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(O··········nc2n1", "total": 32.222, "axes": {"activity": 12.65, "binding": 10.17, "selectivity": 1.26, "admet": 2.18, "novelty": 3.97, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 6.78, "LE": 0.258, "potency_term": 0.592, "efficiency_cap": 0.859}, "selectivity": {"fold": 1.6, "selectivity_term": 0.107, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.643, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.219, "novelty": 0.781}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.358759990989745, "aff_pf": -0.7753387093544006, "aff_hs": -0.5622976819674174, "repeats_pf": {"runs": 3, "values": [-0.7668, -0.7763, -0.7828], "mean": -0.7753, "spread": 0.016}, "repeats_hs": {"runs": 3, "values": [-0.5156, -0.6142, -0.5571], "mean": -0.5623, "spread": 0.0986}, "at": 1789974385}, "tier": 1, "alerts": [], "total_sd": 0.152, "total_ci95": [31.872, 32.478], "relegate_reason": [], "submitted_at": 1789958448, "scored_at": 1789974385, "rank": 3846}, {"candidate_id": "ODC-0109C0", "res_at": 1786969036, "skeleton": "ATMWQVSQZPFPRO", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "gemini", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········F)cc1", "total": 32.214, "axes": {"activity": 15.71, "binding": 3.7, "selectivity": 1.6, "admet": 5.49, "novelty": 3.86, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.542, "fraction": 0.524}, "binding": {"pIC50": 5.59, "LE": 0.284, "potency_term": 0.196, "efficiency_cap": 0.945}, "selectivity": {"fold": 6.5, "selectivity_term": 0.408, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.699, "per_endpoint": {"solubility-aqsoldb": 0.718, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.619, "ld50-zhu": 0.811, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.542479153857238, "aff_pf": 0.4126807202895482, "aff_hs": 1.2284217079480488, "repeats_pf": {"runs": 3, "values": [0.1847, 0.343, 0.7104], "mean": 0.4127, "spread": 0.5257}, "repeats_hs": {"runs": 3, "values": [1.4317, 0.9433, 1.3102], "mean": 1.2284, "spread": 0.4884}, "at": 1786969036}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968492, "scored_at": 1786969036, "alerts": [], "rank": 3847}, {"candidate_id": "ODC-9ECC53", "res_at": 1786927207, "skeleton": "LHGCFKABYFTYLY", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2cPr-C6F-4Br3F", "model_name": "ODC-2026-R6", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1F", "total": 32.207, "axes": {"activity": 9.59, "binding": 9.83, "selectivity": 4.85, "admet": 3.0, "novelty": 2.73, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.175, "fraction": 0.32}, "binding": {"pIC50": 6.47, "LE": 0.386, "potency_term": 0.491, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.493, "target_engagement": 0.491}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 0.467, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.1753748251930345, "aff_pf": -0.4738644063472748, "aff_hs": 0.5128317276636759, "repeats_pf": {"runs": 3, "values": [-0.5414, -0.4631, -0.4171], "mean": -0.4739, "spread": 0.1244}, "repeats_hs": {"runs": 3, "values": [0.4565, 0.5299, 0.5521], "mean": 0.5128, "spread": 0.0956}, "at": 1786927207}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923851, "scored_at": 1786927207, "alerts": [], "rank": 3848}, {"candidate_id": "ODC-E2DB31", "res_at": 1789567896, "skeleton": "GYUVAFZQFMOQFV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(N)··········)(F)F", "total": 32.203, "axes": {"activity": 15.65, "binding": 6.75, "selectivity": 2.0, "admet": 2.99, "novelty": 3.53, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 6.18, "LE": 0.257, "potency_term": 0.394, "efficiency_cap": 0.856}, "selectivity": {"fold": 3.2, "selectivity_term": 0.254, "target_engagement": 0.394}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.131, "hia-hou": 0.898, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "0", "pAct_q10": 5.53922835746889, "aff_pf": -0.18344241380691528, "aff_hs": 0.32429663836956024, "repeats_pf": {"runs": 3, "values": [-0.1053, -0.2628, -0.1822], "mean": -0.1834, "spread": 0.1574}, "repeats_hs": {"runs": 3, "values": [0.467, 0.2452, 0.2607], "mean": 0.3243, "spread": 0.2219}, "at": 1789567896}, "tier": 1, "alerts": [], "total_sd": 0.467, "total_ci95": [31.562, 33.455], "relegate_reason": [], "submitted_at": 1789567230, "scored_at": 1789567896, "rank": 3849}, {"candidate_id": "ODC-B8F9E3", "res_at": 1788778608, "skeleton": "CXETXFMWXPGGAI", "hf_user": "Bio-JS", "display_name": "0906-S1-30 SMe/CN/R6-OMe/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········Cl)c1", "total": 32.191, "axes": {"activity": 9.74, "binding": 10.83, "selectivity": 2.74, "admet": 3.3, "novelty": 3.35, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.185, "fraction": 0.325}, "binding": {"pIC50": 6.62, "LE": 0.349, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.253, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.339, "ld50-zhu": 0.466, "herg": 0.195, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.184591250372833, "aff_pf": -0.6247806549072266, "aff_hs": -0.1181064285337925, "repeats_pf": {"runs": 3, "values": [-0.6179, -0.5785, -0.6779], "mean": -0.6248, "spread": 0.0994}, "repeats_hs": {"runs": 3, "values": [-0.1097, -0.0273, -0.2173], "mean": -0.1181, "spread": 0.19}, "at": 1788778608}, "tier": 1, "alerts": [], "total_sd": 0.534, "total_ci95": [31.221, 33.222], "relegate_reason": [], "submitted_at": 1788666118, "scored_at": 1788778608, "rank": 3850}, {"candidate_id": "ODC-4EE7B3", "res_at": 1787370988, "skeleton": "ILROZQPGONMLSV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 32.169, "axes": {"activity": 17.4, "binding": 3.68, "selectivity": 0.0, "admet": 4.77, "novelty": 4.32, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 5.6, "LE": 0.274, "potency_term": 0.201, "efficiency_cap": 0.914}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.895, "cyp2c9-veith": 0.991, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.784, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.6439256634454, "aff_pf": 0.3957420289516449, "aff_hs": -0.16632704436779022, "repeats_pf": {"runs": 3, "values": [0.3699, 0.3829, 0.4343], "mean": 0.3957, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [-0.1682, -0.1882, -0.1426], "mean": -0.1663, "spread": 0.0456}, "at": 1787370988}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364975, "scored_at": 1787370988, "alerts": [], "rank": 3851}, {"candidate_id": "ODC-07236C", "res_at": 1787383458, "skeleton": "MQYNGALBDLBCGG", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nc12", "total": 32.151, "axes": {"activity": 19.65, "binding": 1.43, "selectivity": 0.35, "admet": 3.54, "novelty": 4.37, "synthesis": 2.82}, "detail": {"activity": {"pAct_q10": 5.779, "fraction": 0.655}, "binding": {"pIC50": 5.33, "LE": 0.197, "potency_term": 0.109, "efficiency_cap": 0.657}, "selectivity": {"fold": 2.1, "selectivity_term": 0.162, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.073, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.632, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.778743620545425, "aff_pf": 0.6737855474154154, "aff_hs": 0.9968630870183309, "repeats_pf": {"runs": 3, "values": [0.5119, 0.7072, 0.8023], "mean": 0.6738, "spread": 0.2905}, "repeats_hs": {"runs": 3, "values": [0.8737, 1.0706, 1.0462], "mean": 0.9969, "spread": 0.1969}, "at": 1787383458}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383043, "scored_at": 1787383458, "alerts": [], "rank": 3852}, {"candidate_id": "ODC-299192", "res_at": 1789955631, "skeleton": "BIBRZHDKRFEFLZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 32.145, "axes": {"activity": 14.87, "binding": 7.56, "selectivity": 0.7, "admet": 3.37, "novelty": 3.59, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.492, "fraction": 0.496}, "binding": {"pIC50": 6.43, "LE": 0.238, "potency_term": 0.477, "efficiency_cap": 0.794}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.477}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.534, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.815, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.263}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.492088126097972, "aff_pf": -0.4296305477619171, "aff_hs": -0.28336350123087567, "repeats_pf": {"runs": 3, "values": [-0.0219, -0.6619, -0.605], "mean": -0.4296, "spread": 0.64}, "repeats_hs": {"runs": 3, "values": [-0.2632, -0.3618, -0.2251], "mean": -0.2834, "spread": 0.1367}, "at": 1789955631}, "tier": 1, "alerts": [], "total_sd": 1.814, "total_ci95": [28.948, 35.092], "relegate_reason": [], "submitted_at": 1789863663, "scored_at": 1789955631, "rank": 3853}, {"candidate_id": "ODC-D1AAC3", "res_at": 1789079366, "skeleton": "TXEJUZMDOAOKHW", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 32.108, "axes": {"activity": 13.63, "binding": 9.52, "selectivity": 0.0, "admet": 3.54, "novelty": 3.3, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.454}, "binding": {"pIC50": 6.53, "LE": 0.28, "potency_term": 0.511, "efficiency_cap": 0.932}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.13, "ld50-zhu": 0.772, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.417969651907882, "aff_pf": -0.5325228671232859, "aff_hs": -1.524970809618632, "repeats_pf": {"runs": 3, "values": [-0.4714, -0.5674, -0.5588], "mean": -0.5325, "spread": 0.0959}, "repeats_hs": {"runs": 3, "values": [-1.4958, -1.4577, -1.6214], "mean": -1.525, "spread": 0.1636}, "at": 1789079366}, "tier": 1, "alerts": [], "total_sd": 0.355, "total_ci95": [31.233, 32.586], "relegate_reason": [], "submitted_at": 1789046050, "scored_at": 1789079366, "rank": 3854}, {"candidate_id": "ODC-8C77EB", "res_at": 1787085006, "skeleton": "HKRBZTXIKYYQCW", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 32.105, "axes": {"activity": 12.03, "binding": 8.72, "selectivity": 4.67, "admet": 2.03, "novelty": 2.86, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 6.31, "LE": 0.332, "potency_term": 0.436, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.536, "target_engagement": 0.436}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.199, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.82, "ld50-zhu": 0.464, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.321645407463227, "aff_pf": -0.3076070249080658, "aff_hs": 0.7634231646855673, "repeats_pf": {"runs": 3, "values": [-0.3719, -0.2077, -0.3432], "mean": -0.3076, "spread": 0.1642}, "repeats_hs": {"runs": 3, "values": [0.9289, 0.5841, 0.7773], "mean": 0.7634, "spread": 0.3448}, "at": 1787085006}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074125, "scored_at": 1787085006, "alerts": [], "rank": 3855}, {"candidate_id": "ODC-E30586", "res_at": 1787919063, "skeleton": "WRBPAPVUBIKCQC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········c1C#N", "total": 32.049, "axes": {"activity": 9.93, "binding": 10.53, "selectivity": 3.41, "admet": 2.96, "novelty": 2.85, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.196, "fraction": 0.331}, "binding": {"pIC50": 6.58, "LE": 0.347, "potency_term": 0.526, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.324, "target_engagement": 0.526}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.092, "cyp2c9-veith": 0.221, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.471, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.1959493216024555, "aff_pf": -0.5788362820943197, "aff_hs": 0.06970828274885814, "repeats_pf": {"runs": 3, "values": [-0.5922, -0.6675, -0.4767], "mean": -0.5788, "spread": 0.1908}, "repeats_hs": {"runs": 3, "values": [0.2558, -0.0193, -0.0274], "mean": 0.0697, "spread": 0.2832}, "at": 1787919063}, "tier": 1, "relegate_reason": [], "submitted_at": 1787907022, "scored_at": 1787919063, "alerts": [], "rank": 3856}, {"candidate_id": "ODC-CFD12E", "res_at": 1788962948, "skeleton": "BDQZOGGULJQCMV", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 32.033, "axes": {"activity": 10.67, "binding": 11.09, "selectivity": 1.76, "admet": 3.53, "novelty": 2.22, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.24, "fraction": 0.356}, "binding": {"pIC50": 6.66, "LE": 0.38, "potency_term": 0.554, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.159, "target_engagement": 0.554}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.617, "herg": 0.05, "dili": 0.097}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "0", "pAct_q10": 5.240289218498072, "aff_pf": -0.6630610823631287, "aff_hs": -0.3455066780249278, "repeats_pf": {"runs": 3, "values": [-0.7412, -0.6594, -0.5886], "mean": -0.6631, "spread": 0.1526}, "repeats_hs": {"runs": 3, "values": [-0.3898, -0.3443, -0.3024], "mean": -0.3455, "spread": 0.0874}, "at": 1788962948}, "tier": 1, "alerts": [], "total_sd": 0.698, "total_ci95": [30.683, 33.403], "relegate_reason": [], "submitted_at": 1788962762, "scored_at": 1788962948, "rank": 3857}, {"candidate_id": "ODC-8BBF56", "res_at": 1786964504, "skeleton": "GRPJHHZFPMWSQU", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C1CC1", "total": 32.032, "axes": {"activity": 13.51, "binding": 8.62, "selectivity": 1.24, "admet": 3.78, "novelty": 3.02, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.45}, "binding": {"pIC50": 6.29, "LE": 0.308, "potency_term": 0.431, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.144, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.906, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.878, "herg": 0.282, "dili": 0.532}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.41086731480324, "aff_pf": -0.2937493522961934, "aff_hs": -0.0065996696551640826, "repeats_pf": {"runs": 3, "values": [-0.3014, -0.3292, -0.2507], "mean": -0.2937, "spread": 0.0784}, "repeats_hs": {"runs": 3, "values": [-0.1244, 0.1171, -0.0125], "mean": -0.0066, "spread": 0.2414}, "at": 1786964504}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963426, "scored_at": 1786964504, "alerts": [], "rank": 3858}, {"candidate_id": "ODC-F9C0A0", "res_at": 1786835518, "skeleton": "LVMJPHWWPOIADC", "hf_user": "rkrkrkekekek", "display_name": "zzzzz", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 32.03, "axes": {"activity": 13.73, "binding": 8.69, "selectivity": 1.52, "admet": 3.9, "novelty": 2.16, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 6.3, "LE": 0.411, "potency_term": 0.435, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.174, "target_engagement": 0.435}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.665, "cyp3a4-substrate-carbonmangels": 0.467, "ld50-zhu": 0.449, "herg": 0.395, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "1", "pAct_q10": 5.42406042821607, "aff_pf": -0.3037981887658437, "aff_hs": 0.0449477086464564, "repeats_pf": {"runs": 3, "values": [-0.3034, -0.3203, -0.2878], "mean": -0.3038, "spread": 0.0325}, "repeats_hs": {"runs": 3, "values": [0.0355, -0.0191, 0.1185], "mean": 0.0449, "spread": 0.1376}, "at": 1786835518}, "tier": 1, "relegate_reason": [], "submitted_at": 1786800953, "scored_at": 1786835518, "alerts": [], "rank": 3859}, {"candidate_id": "ODC-DFC850", "res_at": 1788812260, "skeleton": "KWUYQWMNRWACPU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 31.993, "axes": {"activity": 15.49, "binding": 7.09, "selectivity": 2.73, "admet": 3.4, "novelty": 1.65, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.53, "fraction": 0.516}, "binding": {"pIC50": 6.11, "LE": 0.288, "potency_term": 0.369, "efficiency_cap": 0.962}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.369}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.182, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.489, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.84, "herg": 0.904, "dili": 0.429}}, "novelty": {"max_tanimoto": 0.681, "novelty": 0.319}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.529628621826909, "aff_pf": -0.10639195640881856, "aff_hs": 0.635039488474528, "repeats_pf": {"runs": 3, "values": [-0.0694, -0.1129, -0.1369], "mean": -0.1064, "spread": 0.0675}, "repeats_hs": {"runs": 3, "values": [0.8519, 0.6157, 0.4376], "mean": 0.635, "spread": 0.4143}, "at": 1788812260}, "tier": 1, "alerts": [], "total_sd": 0.435, "total_ci95": [30.999, 32.793], "relegate_reason": [], "submitted_at": 1788737848, "scored_at": 1788812260, "rank": 3860}, {"candidate_id": "ODC-174C30", "res_at": 1786956416, "skeleton": "GDQCZAVEHPBIDD", "hf_user": "tteggu", "display_name": "DuckCrab", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 31.982, "axes": {"activity": 19.89, "binding": 3.12, "selectivity": 0.0, "admet": 4.48, "novelty": 2.69, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.793, "fraction": 0.663}, "binding": {"pIC50": 5.59, "LE": 0.239, "potency_term": 0.196, "efficiency_cap": 0.797}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.47, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.614, "ld50-zhu": 0.749, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.594, "novelty": 0.406}, "synthesis": {"sa_score": 4.1}}, "run": {"gpu": "3", "pAct_q10": 5.793293294906155, "aff_pf": 0.41262542208035785, "aff_hs": 0.3028384943803151, "repeats_pf": {"runs": 3, "values": [0.3557, 0.489, 0.3932], "mean": 0.4126, "spread": 0.1333}, "repeats_hs": {"runs": 3, "values": [0.3277, 0.2858, 0.295], "mean": 0.3028, "spread": 0.042}, "at": 1786956416}, "tier": 1, "relegate_reason": [], "submitted_at": 1786951041, "scored_at": 1786956416, "alerts": [], "rank": 3861}, {"candidate_id": "ODC-C37B01", "res_at": 1787228284, "skeleton": "ACDSBVXEJCTPBR", "hf_user": "takutoyo", "display_name": "PfD10-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 31.978, "axes": {"activity": 11.72, "binding": 9.15, "selectivity": 3.82, "admet": 2.73, "novelty": 2.48, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.303, "fraction": 0.391}, "binding": {"pIC50": 6.37, "LE": 0.349, "potency_term": 0.458, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.417, "target_engagement": 0.458}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.795, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.379, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.302927464954066, "aff_pf": -0.37311840057373047, "aff_hs": 0.46175973614056903, "repeats_pf": {"runs": 3, "values": [-0.3675, -0.3072, -0.4447], "mean": -0.3731, "spread": 0.1376}, "repeats_hs": {"runs": 3, "values": [0.4101, 0.4483, 0.5269], "mean": 0.4618, "spread": 0.1169}, "at": 1787228284}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227214, "scored_at": 1787228284, "alerts": [], "rank": 3862}, {"candidate_id": "ODC-FC87E4", "res_at": 1787893949, "skeleton": "XHKUSYQZMCNWBQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-15", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 31.967, "axes": {"activity": 14.42, "binding": 8.89, "selectivity": 0.61, "admet": 2.99, "novelty": 2.99, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.481}, "binding": {"pIC50": 6.41, "LE": 0.283, "potency_term": 0.471, "efficiency_cap": 0.945}, "selectivity": {"fold": 1.3, "selectivity_term": 0.065, "target_engagement": 0.471}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.725, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.296, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.465108267310155, "aff_pf": -0.41237445672353107, "aff_hs": -0.28271416823069256, "repeats_pf": {"runs": 3, "values": [-0.423, -0.4375, -0.3767], "mean": -0.4124, "spread": 0.0608}, "repeats_hs": {"runs": 3, "values": [-0.2946, -0.1249, -0.4286], "mean": -0.2827, "spread": 0.3037}, "at": 1787893949}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841247, "scored_at": 1787893949, "alerts": [], "rank": 3863}, {"candidate_id": "ODC-71FA51", "res_at": 1789872601, "skeleton": "GOXPNLPEZYDFGO", "hf_user": "Bio-JS", "display_name": "0917-S1-div06", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 31.967, "axes": {"activity": 12.83, "binding": 8.57, "selectivity": 3.24, "admet": 2.82, "novelty": 2.63, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 6.29, "LE": 0.374, "potency_term": 0.429, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.7, "selectivity_term": 0.378, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.055, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.539, "herg": 0.266, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.369698929101946, "aff_pf": -0.2858606626590093, "aff_hs": 0.47111815214157104, "repeats_pf": {"runs": 3, "values": [-0.2412, -0.1567, -0.4596], "mean": -0.2859, "spread": 0.3029}, "repeats_hs": {"runs": 3, "values": [0.4112, 0.5775, 0.4246], "mean": 0.4711, "spread": 0.1663}, "at": 1789872601}, "tier": 1, "alerts": [], "total_sd": 1.152, "total_ci95": [30.265, 34.192], "relegate_reason": [], "submitted_at": 1789628565, "scored_at": 1789872601, "rank": 3864}, {"candidate_id": "ODC-6FF549", "res_at": 1786985060, "skeleton": "RNKLSWWIBWVDFL", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-02", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.962, "axes": {"activity": 12.11, "binding": 8.31, "selectivity": 4.41, "admet": 2.67, "novelty": 2.53, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.404}, "binding": {"pIC50": 6.25, "LE": 0.389, "potency_term": 0.415, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.82, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.403, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.326439149020478, "aff_pf": -0.2463375727335612, "aff_hs": 0.8148337006568909, "repeats_pf": {"runs": 3, "values": [-0.2229, -0.2874, -0.2288], "mean": -0.2463, "spread": 0.0645}, "repeats_hs": {"runs": 3, "values": [0.8128, 0.7837, 0.8479], "mean": 0.8148, "spread": 0.0642}, "at": 1786985060}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980838, "scored_at": 1786985060, "alerts": [], "rank": 3865}, {"candidate_id": "ODC-92BC6A", "res_at": 1787025494, "skeleton": "QERZVYPSUNVWSP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 31.944, "axes": {"activity": 13.16, "binding": 7.81, "selectivity": 4.92, "admet": 2.66, "novelty": 1.96, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.439}, "binding": {"pIC50": 6.17, "LE": 0.302, "potency_term": 0.39, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.2, "selectivity_term": 0.63, "target_engagement": 0.39}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.533, "caco2-wang": 0.193, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.67, "herg": 0.853, "dili": 0.712}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.389405208772111, "aff_pf": -0.1711288789908091, "aff_hs": 1.0892813205718994, "repeats_pf": {"runs": 3, "values": [-0.1387, -0.2074, -0.1673], "mean": -0.1711, "spread": 0.0687}, "repeats_hs": {"runs": 3, "values": [1.1435, 1.0739, 1.0505], "mean": 1.0893, "spread": 0.093}, "at": 1787025494}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025130, "scored_at": 1787025494, "alerts": [], "rank": 3866}, {"candidate_id": "ODC-82B3C7", "res_at": 1788135725, "skeleton": "BTMDIDWNBGMYOR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 31.903, "axes": {"activity": 14.32, "binding": 7.36, "selectivity": 3.12, "admet": 1.92, "novelty": 2.79, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 6.4, "LE": 0.237, "potency_term": 0.466, "efficiency_cap": 0.79}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.466}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.92, "ld50-zhu": 0.684, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.459469746580471, "aff_pf": -0.39788952469825745, "aff_hs": 0.27166147033373517, "repeats_pf": {"runs": 3, "values": [-0.373, -0.4417, -0.379], "mean": -0.3979, "spread": 0.0687}, "repeats_hs": {"runs": 3, "values": [0.311, 0.2336, 0.2705], "mean": 0.2717, "spread": 0.0774}, "at": 1788135725}, "tier": 1, "alerts": [], "total_sd": 0.253, "total_ci95": [31.534, 32.488], "relegate_reason": [], "submitted_at": 1788132535, "scored_at": 1788135725, "rank": 3867}, {"candidate_id": "ODC-6CBE1B", "res_at": 1789248642, "skeleton": "CFJOVJQJWXZWSI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 31.887, "axes": {"activity": 13.42, "binding": 9.45, "selectivity": 1.3, "admet": 3.04, "novelty": 3.58, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 6.42, "LE": 0.326, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.324, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 4.37}}, "run": {"gpu": "0", "pAct_q10": 5.405475536383183, "aff_pf": -0.4173570473988851, "aff_hs": -0.14315715928872427, "repeats_pf": {"runs": 3, "values": [0.1796, -0.7236, -0.708], "mean": -0.4174, "spread": 0.9032}, "repeats_hs": {"runs": 3, "values": [-0.0376, -0.1775, -0.2144], "mean": -0.1432, "spread": 0.1768}, "at": 1789248642}, "tier": 1, "alerts": [], "total_sd": 3.332, "total_ci95": [28.176, 37.87], "relegate_reason": [], "submitted_at": 1789232333, "scored_at": 1789248642, "rank": 3868}, {"candidate_id": "ODC-5A016B", "res_at": 1789090662, "skeleton": "FHVFFXBSKXSSHL", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 31.877, "axes": {"activity": 12.14, "binding": 9.59, "selectivity": 3.83, "admet": 3.46, "novelty": 1.29, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.44, "LE": 0.304, "potency_term": 0.479, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.479}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.592, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.446, "cyp2c9-veith": 0.363, "cyp3a4-substrate-carbonmangels": 0.631, "ld50-zhu": 0.875, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.731, "novelty": 0.269}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "0", "pAct_q10": 5.328537660236957, "aff_pf": -0.43846893310546875, "aff_hs": 0.3599171241124471, "repeats_pf": {"runs": 3, "values": [-0.4158, -0.4339, -0.4657], "mean": -0.4385, "spread": 0.0499}, "repeats_hs": {"runs": 3, "values": [0.37, 0.3581, 0.3517], "mean": 0.3599, "spread": 0.0183}, "at": 1789090662}, "tier": 1, "alerts": [], "total_sd": 0.231, "total_ci95": [31.459, 32.373], "relegate_reason": [], "submitted_at": 1789088724, "scored_at": 1789090662, "rank": 3869}, {"candidate_id": "ODC-60441E", "res_at": 1787495297, "skeleton": "OHFAKRQKOZBNKA", "hf_user": "takutoyo", "display_name": "PfD15-19", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········nc2n1", "total": 31.859, "axes": {"activity": 17.71, "binding": 4.4, "selectivity": 1.8, "admet": 2.12, "novelty": 3.56, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.59}, "binding": {"pIC50": 5.82, "LE": 0.242, "potency_term": 0.273, "efficiency_cap": 0.805}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.294, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.112, "ld50-zhu": 0.454, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.662513717964674, "aff_pf": 0.18005189299583435, "aff_hs": 0.8395333687464396, "repeats_pf": {"runs": 3, "values": [0.1382, 0.0639, 0.338], "mean": 0.1801, "spread": 0.2742}, "repeats_hs": {"runs": 3, "values": [0.7881, 0.8243, 0.9062], "mean": 0.8395, "spread": 0.1181}, "at": 1787495297}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491686, "scored_at": 1787495297, "alerts": [], "rank": 3870}, {"candidate_id": "ODC-E1AD3A", "res_at": 1788134096, "skeleton": "PYLZZSVOTHYFEP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.848, "axes": {"activity": 13.49, "binding": 10.8, "selectivity": 0.0, "admet": 2.17, "novelty": 2.95, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 6.62, "LE": 0.302, "potency_term": 0.54, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.54}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.572, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.96, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.409109785896421, "aff_pf": -0.6207219362258911, "aff_hs": -0.8649812738100687, "repeats_pf": {"runs": 3, "values": [-0.738, -0.5901, -0.5341], "mean": -0.6207, "spread": 0.2039}, "repeats_hs": {"runs": 3, "values": [-0.7682, -0.6868, -1.1399], "mean": -0.865, "spread": 0.4531}, "at": 1788134096}, "tier": 1, "alerts": [], "total_sd": 0.576, "total_ci95": [30.774, 33.177], "relegate_reason": [], "submitted_at": 1788132393, "scored_at": 1788134096, "rank": 3871}, {"candidate_id": "ODC-96F784", "res_at": 1787228657, "skeleton": "MPPTXNDCRUCCMG", "hf_user": "takutoyo", "display_name": "PfD10-08", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 31.835, "axes": {"activity": 13.34, "binding": 8.73, "selectivity": 2.95, "admet": 2.18, "novelty": 2.46, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.4, "fraction": 0.445}, "binding": {"pIC50": 6.31, "LE": 0.36, "potency_term": 0.436, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.436}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.448, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.465, "herg": 0.059, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 5.4003056426280205, "aff_pf": -0.3090369999408722, "aff_hs": 0.36618902285893756, "repeats_pf": {"runs": 3, "values": [-0.3492, -0.2359, -0.342], "mean": -0.309, "spread": 0.1133}, "repeats_hs": {"runs": 3, "values": [0.351, 0.3629, 0.3846], "mean": 0.3662, "spread": 0.0337}, "at": 1787228657}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227236, "scored_at": 1787228657, "alerts": [], "rank": 3872}, {"candidate_id": "ODC-54E4AC", "res_at": 1786831043, "skeleton": "HHMBPXCYANNGJO", "hf_user": "scala39", "display_name": "Scala", "model_name": "ChatGPT", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)=C2C", "total": 31.83, "axes": {"activity": 6.1, "binding": 12.08, "selectivity": 2.36, "admet": 4.53, "novelty": 4.15, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 4.966, "fraction": 0.203}, "binding": {"pIC50": 6.81, "LE": 0.444, "potency_term": 0.604, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.604}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.724, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.811, "herg": 0.585, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "1", "pAct_q10": 4.96591012569512, "aff_pf": -0.8116061886151632, "aff_hs": -0.4208578864733378, "repeats_pf": {"runs": 3, "values": [-0.7863, -0.8395, -0.809], "mean": -0.8116, "spread": 0.0533}, "repeats_hs": {"runs": 3, "values": [-0.409, -0.4066, -0.447], "mean": -0.4209, "spread": 0.0404}, "at": 1786831043}, "tier": 1, "relegate_reason": [], "submitted_at": 1786796015, "scored_at": 1786831043, "alerts": [], "rank": 3873}, {"candidate_id": "ODC-103AF3", "res_at": 1787162320, "skeleton": "HUBUYUJKWAXJIT", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········cccc1", "total": 31.819, "axes": {"activity": 14.25, "binding": 6.27, "selectivity": 4.52, "admet": 2.03, "novelty": 2.38, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 6.14, "LE": 0.247, "potency_term": 0.38, "efficiency_cap": 0.825}, "selectivity": {"fold": 15.4, "selectivity_term": 0.594, "target_engagement": 0.38}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.506, "hia-hou": 1.0, "bioavailability-ma": 0.824, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.481, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.51, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 5.455032237825423, "aff_pf": -0.1401489426692327, "aff_hs": 1.0480375687281291, "repeats_pf": {"runs": 3, "values": [-0.1054, -0.1712, -0.1439], "mean": -0.1401, "spread": 0.0659}, "repeats_hs": {"runs": 3, "values": [1.0557, 1.0705, 1.0179], "mean": 1.048, "spread": 0.0526}, "at": 1787162320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151337, "scored_at": 1787162320, "alerts": [], "rank": 3874}, {"candidate_id": "ODC-C39629", "res_at": 1788135525, "skeleton": "ZGGGXFTWPMSLGC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 31.809, "axes": {"activity": 16.72, "binding": 6.53, "selectivity": 0.0, "admet": 2.44, "novelty": 3.33, "synthesis": 2.79}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 6.12, "LE": 0.262, "potency_term": 0.374, "efficiency_cap": 0.874}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.374}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.42, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.402, "novelty": 0.598}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 5.603421522973294, "aff_pf": -0.12107525269190471, "aff_hs": -0.5889936288197836, "repeats_pf": {"runs": 3, "values": [-0.2039, -0.0915, -0.0679], "mean": -0.1211, "spread": 0.1361}, "repeats_hs": {"runs": 3, "values": [-0.6376, -0.5455, -0.5839], "mean": -0.589, "spread": 0.0921}, "at": 1788135525}, "tier": 1, "alerts": [], "total_sd": 0.232, "total_ci95": [31.446, 32.387], "relegate_reason": [], "submitted_at": 1788132524, "scored_at": 1788135525, "rank": 3875}, {"candidate_id": "ODC-04ECA6", "res_at": 1788963333, "skeleton": "NPOSSGUBGFDZOT", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 31.804, "axes": {"activity": 10.14, "binding": 10.69, "selectivity": 2.58, "admet": 3.09, "novelty": 2.72, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.209, "fraction": 0.338}, "binding": {"pIC50": 6.6, "LE": 0.377, "potency_term": 0.535, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.242, "target_engagement": 0.535}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.552, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.20869351467197, "aff_pf": -0.6042058964570364, "aff_hs": -0.12081001698970795, "repeats_pf": {"runs": 3, "values": [-0.465, -0.5496, -0.798], "mean": -0.6042, "spread": 0.3329}, "repeats_hs": {"runs": 3, "values": [-0.0569, -0.1934, -0.1121], "mean": -0.1208, "spread": 0.1365}, "at": 1788963333}, "tier": 1, "alerts": [], "total_sd": 1.579, "total_ci95": [29.377, 35.634], "relegate_reason": [], "submitted_at": 1788962881, "scored_at": 1788963333, "rank": 3876}, {"candidate_id": "ODC-AD41E2", "res_at": 1787131716, "skeleton": "VTLMETBQUSHRFS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········3)CC1", "total": 31.798, "axes": {"activity": 15.37, "binding": 7.2, "selectivity": 0.55, "admet": 3.37, "novelty": 2.83, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.522, "fraction": 0.512}, "binding": {"pIC50": 6.28, "LE": 0.253, "potency_term": 0.427, "efficiency_cap": 0.844}, "selectivity": {"fold": 1.3, "selectivity_term": 0.065, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.326, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.794}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.522475302244208, "aff_pf": -0.2808627386887868, "aff_hs": -0.15162785847981772, "repeats_pf": {"runs": 3, "values": [0.2863, -0.6138, -0.5152], "mean": -0.2809, "spread": 0.9001}, "repeats_hs": {"runs": 3, "values": [0.4399, -0.5707, -0.3241], "mean": -0.1516, "spread": 1.0106}, "at": 1787131716}, "tier": 1, "relegate_reason": [], "submitted_at": 1787125169, "scored_at": 1787131716, "alerts": [], "rank": 3877}, {"candidate_id": "ODC-617AC2", "res_at": 1787225295, "skeleton": "YWSYGJGUZGAYSR", "hf_user": "hansu99", "display_name": "R0K", "model_name": "Neberon3", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Clc1ccc··········nc2c1", "total": 31.793, "axes": {"activity": 20.05, "binding": 0.51, "selectivity": 0.0, "admet": 7.89, "novelty": 0.0, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 5.803, "fraction": 0.668}, "binding": {"pIC50": 4.45, "LE": 0.305, "potency_term": 0.025, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.787, "per_endpoint": {"solubility-aqsoldb": 0.802, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.523, "herg": 0.188, "dili": 1.0}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "3", "pAct_q10": 5.803062407781587, "aff_pf": 1.54666272799174, "aff_hs": 0.988725999991099, "repeats_pf": {"runs": 3, "values": [1.6185, 1.5073, 1.5141], "mean": 1.5467, "spread": 0.1112}, "repeats_hs": {"runs": 3, "values": [0.9994, 0.9728, 0.994], "mean": 0.9887, "spread": 0.0266}, "at": 1787225295}, "tier": 1, "relegate_reason": [], "submitted_at": 1787221174, "scored_at": 1787225295, "alerts": [], "rank": 3878}, {"candidate_id": "ODC-A69317", "res_at": 1787494683, "skeleton": "BJMZYFZRILRGOH", "hf_user": "takutoyo", "display_name": "PfD15-16", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········nn2n1", "total": 31.791, "axes": {"activity": 19.99, "binding": 3.72, "selectivity": 0.0, "admet": 2.41, "novelty": 3.33, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.799, "fraction": 0.666}, "binding": {"pIC50": 5.75, "LE": 0.225, "potency_term": 0.248, "efficiency_cap": 0.75}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.248}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.375, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.437, "ld50-zhu": 0.743, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.799158635823769, "aff_pf": 0.2548220405975978, "aff_hs": 0.03112967809041341, "repeats_pf": {"runs": 3, "values": [0.2119, 0.7618, -0.2092], "mean": 0.2548, "spread": 0.9709}, "repeats_hs": {"runs": 3, "values": [-0.0309, 0.1014, 0.0228], "mean": 0.0311, "spread": 0.1323}, "at": 1787494683}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491650, "scored_at": 1787494683, "alerts": [], "rank": 3879}, {"candidate_id": "ODC-90D65B", "res_at": 1788166149, "skeleton": "RSYBKHRUVAYBCK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 31.758, "axes": {"activity": 12.24, "binding": 8.65, "selectivity": 2.66, "admet": 3.99, "novelty": 2.35, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.334, "fraction": 0.408}, "binding": {"pIC50": 6.3, "LE": 0.345, "potency_term": 0.432, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.308, "target_engagement": 0.432}, "admet": {"geometric_mean": 0.615, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.581, "herg": 0.71, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.334164703574304, "aff_pf": -0.2973327140013377, "aff_hs": 0.3182520270347595, "repeats_pf": {"runs": 3, "values": [-0.3271, -0.2951, -0.2697], "mean": -0.2973, "spread": 0.0574}, "repeats_hs": {"runs": 3, "values": [0.2856, 0.3198, 0.3494], "mean": 0.3183, "spread": 0.0637}, "at": 1788166149}, "tier": 1, "alerts": [], "total_sd": 0.295, "total_ci95": [31.177, 32.338], "relegate_reason": [], "submitted_at": 1788165480, "scored_at": 1788166149, "rank": 3880}, {"candidate_id": "ODC-916444", "res_at": 1787727236, "skeleton": "KCYSIEPDIROUCS", "hf_user": "Moonweave", "display_name": "M5AI-P12-CN-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········c1C#N", "total": 31.754, "axes": {"activity": 15.88, "binding": 8.23, "selectivity": 0.0, "admet": 1.96, "novelty": 3.38, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.553, "fraction": 0.529}, "binding": {"pIC50": 6.32, "LE": 0.28, "potency_term": 0.442, "efficiency_cap": 0.932}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.072, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.11, "ld50-zhu": 0.618, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.552506994082862, "aff_pf": -0.32489627599716187, "aff_hs": -0.6718020836512247, "repeats_pf": {"runs": 3, "values": [-0.2003, -0.4161, -0.3583], "mean": -0.3249, "spread": 0.2158}, "repeats_hs": {"runs": 3, "values": [-0.548, -0.7685, -0.6989], "mean": -0.6718, "spread": 0.2205}, "at": 1787727236}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726042, "scored_at": 1787727236, "alerts": [], "rank": 3881}, {"candidate_id": "ODC-F8F27F", "res_at": 1789123461, "skeleton": "SEMVSEJRCNDBDV", "hf_user": "Bio-JS", "display_name": "0911-S1-x_CNC_a", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 31.751, "axes": {"activity": 13.13, "binding": 7.33, "selectivity": 4.16, "admet": 2.89, "novelty": 2.39, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 6.1, "LE": 0.321, "potency_term": 0.367, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.6, "selectivity_term": 0.568, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.816, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.596, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.387546531402029, "aff_pf": -0.10021858662366867, "aff_hs": 1.0347958008448284, "repeats_pf": {"runs": 3, "values": [-0.1152, -0.1446, -0.0409], "mean": -0.1002, "spread": 0.1037}, "repeats_hs": {"runs": 3, "values": [1.0747, 1.2157, 0.814], "mean": 1.0348, "spread": 0.4017}, "at": 1789123461}, "tier": 1, "alerts": [], "total_sd": 0.515, "total_ci95": [30.81, 32.75], "relegate_reason": [], "submitted_at": 1789117113, "scored_at": 1789123461, "rank": 3882}, {"candidate_id": "ODC-116756", "res_at": 1787123631, "skeleton": "DWONIXAJQSCCTG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········23)C1", "total": 31.734, "axes": {"activity": 17.13, "binding": 4.82, "selectivity": 0.0, "admet": 3.98, "novelty": 3.49, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 5.91, "LE": 0.238, "potency_term": 0.304, "efficiency_cap": 0.794}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.717, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.297, "ld50-zhu": 0.776, "herg": 0.05, "dili": 0.19}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.627784002070335, "aff_pf": 0.08851484457651775, "aff_hs": -0.010379781325658163, "repeats_pf": {"runs": 3, "values": [-0.1799, -0.0454, 0.4908], "mean": 0.0885, "spread": 0.6707}, "repeats_hs": {"runs": 3, "values": [-0.5559, 0.5357, -0.0109], "mean": -0.0104, "spread": 1.0916}, "at": 1787123631}, "tier": 1, "relegate_reason": [], "submitted_at": 1787107679, "scored_at": 1787123631, "alerts": [], "rank": 3883}, {"candidate_id": "ODC-F8480A", "res_at": 1787649738, "skeleton": "AZSYEUANHGXAOL", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 31.72, "axes": {"activity": 12.85, "binding": 8.47, "selectivity": 4.62, "admet": 2.88, "novelty": 1.23, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.371, "fraction": 0.428}, "binding": {"pIC50": 6.27, "LE": 0.344, "potency_term": 0.423, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.545, "target_engagement": 0.423}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.556, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.196, "cyp2c9-veith": 0.781, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.473, "herg": 0.05, "dili": 0.785}}, "novelty": {"max_tanimoto": 0.712, "novelty": 0.288}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.370788498369524, "aff_pf": -0.26988597214221954, "aff_hs": 0.8211126128832499, "repeats_pf": {"runs": 3, "values": [-0.3542, -0.2204, -0.2351], "mean": -0.2699, "spread": 0.1339}, "repeats_hs": {"runs": 3, "values": [0.8061, 0.8964, 0.7608], "mean": 0.8211, "spread": 0.1356}, "at": 1787649738}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643669, "scored_at": 1787649738, "alerts": [], "rank": 3884}, {"candidate_id": "ODC-642ABF", "res_at": 1786843889, "skeleton": "XQMMJPYQKBJNJT", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "COCc1cc(Nc2ccc(Br)c(F)c2)n2nc(C(C)(F)F)nc2n1", "smiles_masked": null, "total": 31.714, "axes": {"activity": 9.43, "binding": 10.03, "selectivity": 4.56, "admet": 3.12, "novelty": 2.35, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.314}, "binding": {"pIC50": 6.5, "LE": 0.356, "potency_term": 0.502, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.502}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.289, "herg": 0.23, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.531, "novelty": 0.469}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.165650943458019, "aff_pf": -0.5045454104741415, "aff_hs": 0.4040130178133647, "repeats_pf": {"runs": 3, "values": [-0.5177, -0.4809, -0.5151], "mean": -0.5045, "spread": 0.0368}, "repeats_hs": {"runs": 3, "values": [0.3889, 0.4174, 0.4058], "mean": 0.404, "spread": 0.0285}, "at": 1786843889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833069, "scored_at": 1786843889, "alerts": [], "rank": 3885}, {"candidate_id": "ODC-05408C", "res_at": 1787156974, "skeleton": "MUXCNKZYCVAIBX", "hf_user": "takutoyo", "display_name": "PfD8-B9", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 31.701, "axes": {"activity": 16.88, "binding": 5.19, "selectivity": 0.0, "admet": 3.77, "novelty": 3.39, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.613, "fraction": 0.563}, "binding": {"pIC50": 5.78, "LE": 0.317, "potency_term": 0.259, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.259}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.609, "ld50-zhu": 0.452, "herg": 0.204, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.612845509272599, "aff_pf": 0.22222944845755896, "aff_hs": 0.13694497694571814, "repeats_pf": {"runs": 3, "values": [0.0005, 0.4011, 0.2651], "mean": 0.2222, "spread": 0.4005}, "repeats_hs": {"runs": 3, "values": [0.3027, 0.0766, 0.0315], "mean": 0.1369, "spread": 0.2712}, "at": 1787156974}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148171, "scored_at": 1787156974, "alerts": [], "rank": 3886}, {"candidate_id": "ODC-2C29B0", "res_at": 1786948299, "skeleton": "YYRLDLWCNQRCKF", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 31.687, "axes": {"activity": 13.51, "binding": 11.4, "selectivity": 0.0, "admet": 3.12, "novelty": 1.27, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.411, "fraction": 0.45}, "binding": {"pIC50": 6.71, "LE": 0.317, "potency_term": 0.57, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.57}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.903, "herg": 0.05, "dili": 0.481}}, "novelty": {"max_tanimoto": 0.778, "novelty": 0.222}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.410520117937248, "aff_pf": -0.7093422611554464, "aff_hs": -1.0408543944358826, "repeats_pf": {"runs": 3, "values": [-0.6846, -0.7604, -0.683], "mean": -0.7093, "spread": 0.0774}, "repeats_hs": {"runs": 3, "values": [-1.1152, -1.0257, -0.9817], "mean": -1.0409, "spread": 0.1334}, "at": 1786948299}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937511, "scored_at": 1786948299, "alerts": [], "rank": 3887}, {"candidate_id": "ODC-C9157A", "res_at": 1787296375, "skeleton": "KGSTZQIGECHZLU", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 31.664, "axes": {"activity": 15.17, "binding": 8.5, "selectivity": 0.0, "admet": 2.43, "novelty": 3.14, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.47, "LE": 0.261, "potency_term": 0.489, "efficiency_cap": 0.869}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.489}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.696, "herg": 0.05, "dili": 0.727}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.510017016201923, "aff_pf": -0.46764524777730304, "aff_hs": -0.8004591365655264, "repeats_pf": {"runs": 3, "values": [-0.976, -0.1005, -0.3265], "mean": -0.4676, "spread": 0.8756}, "repeats_hs": {"runs": 3, "values": [-0.4825, -0.9316, -0.9873], "mean": -0.8005, "spread": 0.5048}, "at": 1787296375}, "tier": 1, "relegate_reason": [], "submitted_at": 1787295883, "scored_at": 1787296375, "alerts": [], "rank": 3888}, {"candidate_id": "ODC-D4027B", "res_at": 1788528086, "skeleton": "RRGUPBFUZHFPNK", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW2 cPr/OMe/p-CF3", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 31.635, "axes": {"activity": 11.12, "binding": 9.6, "selectivity": 4.06, "admet": 2.38, "novelty": 2.19, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.267, "fraction": 0.371}, "binding": {"pIC50": 6.44, "LE": 0.353, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.438, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.266987044214518, "aff_pf": -0.4402891894181569, "aff_hs": 0.4058888057867686, "repeats_pf": {"runs": 3, "values": [-0.4688, -0.3923, -0.4598], "mean": -0.4403, "spread": 0.0765}, "repeats_hs": {"runs": 3, "values": [0.3632, 0.4025, 0.452], "mean": 0.4059, "spread": 0.0888}, "at": 1788528086}, "tier": 1, "alerts": [], "total_sd": 0.38, "total_ci95": [30.95, 32.267], "relegate_reason": [], "submitted_at": 1788488185, "scored_at": 1788528086, "rank": 3889}, {"candidate_id": "ODC-15EB49", "res_at": 1786891671, "skeleton": "QWAVFJDPMSOCSP", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA-B", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.584, "axes": {"activity": 13.66, "binding": 9.41, "selectivity": 0.7, "admet": 3.1, "novelty": 2.81, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.42, "fraction": 0.455}, "binding": {"pIC50": 6.41, "LE": 0.366, "potency_term": 0.47, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.47}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.488, "ld50-zhu": 0.44, "herg": 0.611, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.419748441936073, "aff_pf": -0.4111124575138092, "aff_hs": -0.2614579151074092, "repeats_pf": {"runs": 3, "values": [-0.4128, -0.4724, -0.3481], "mean": -0.4111, "spread": 0.1243}, "repeats_hs": {"runs": 3, "values": [-0.2649, -0.4398, -0.0797], "mean": -0.2615, "spread": 0.3601}, "at": 1786891671}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878642, "scored_at": 1786891671, "alerts": [], "rank": 3890}, {"candidate_id": "ODC-0BC2C4", "res_at": 1788974960, "skeleton": "LOVTWSUIOWWLKU", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········(F)c1", "total": 31.573, "axes": {"activity": 11.58, "binding": 7.78, "selectivity": 5.33, "admet": 2.58, "novelty": 2.36, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 6.17, "LE": 0.367, "potency_term": 0.389, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.4, "selectivity_term": 0.685, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.953, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.578, "herg": 0.193, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "0", "pAct_q10": 5.2946809895834726, "aff_pf": -0.1676579068104426, "aff_hs": 1.2019702196121216, "repeats_pf": {"runs": 3, "values": [-0.1982, -0.1578, -0.147], "mean": -0.1677, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [1.1477, 1.0895, 1.3687], "mean": 1.202, "spread": 0.2792}, "at": 1788974960}, "tier": 1, "alerts": [], "total_sd": 0.39, "total_ci95": [30.901, 32.512], "relegate_reason": [], "submitted_at": 1788971458, "scored_at": 1788974960, "rank": 3891}, {"candidate_id": "ODC-6E0A1B", "res_at": 1786896531, "skeleton": "ISNLPOSOTBXRSG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 31.563, "axes": {"activity": 8.67, "binding": 9.86, "selectivity": 4.7, "admet": 2.98, "novelty": 3.36, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.12, "fraction": 0.289}, "binding": {"pIC50": 6.48, "LE": 0.355, "potency_term": 0.493, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.477, "target_engagement": 0.493}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.136, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.381, "ld50-zhu": 0.541, "herg": 0.424, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.120130423764554, "aff_pf": -0.4786818226178487, "aff_hs": 0.47517821192741394, "repeats_pf": {"runs": 3, "values": [-0.4641, -0.4809, -0.4911], "mean": -0.4787, "spread": 0.027}, "repeats_hs": {"runs": 3, "values": [0.5676, 0.422, 0.436], "mean": 0.4752, "spread": 0.1456}, "at": 1786896531}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881402, "scored_at": 1786896531, "alerts": [], "rank": 3892}, {"candidate_id": "ODC-15F643", "res_at": 1787285932, "skeleton": "GUIHCKZQXNDHEO", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-R10", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNc··········c2)n1", "total": 31.562, "axes": {"activity": 19.08, "binding": 1.87, "selectivity": 0.79, "admet": 2.72, "novelty": 3.92, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.745, "fraction": 0.636}, "binding": {"pIC50": 5.37, "LE": 0.23, "potency_term": 0.122, "efficiency_cap": 0.766}, "selectivity": {"fold": 4.5, "selectivity_term": 0.326, "target_engagement": 0.122}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.388, "herg": 0.05, "dili": 0.883}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.744948639825833, "aff_pf": 0.6344557007153829, "aff_hs": 1.285465915997823, "repeats_pf": {"runs": 3, "values": [0.6423, 0.6329, 0.6281], "mean": 0.6345, "spread": 0.0142}, "repeats_hs": {"runs": 3, "values": [1.2377, 1.3559, 1.2628], "mean": 1.2855, "spread": 0.1182}, "at": 1787285932}, "tier": 1, "relegate_reason": [], "submitted_at": 1787284869, "scored_at": 1787285932, "alerts": [], "rank": 3893}, {"candidate_id": "ODC-2FF318", "res_at": 1787887988, "skeleton": "INAYDSPOSLDFCY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 31.536, "axes": {"activity": 10.39, "binding": 11.61, "selectivity": 0.0, "admet": 3.45, "novelty": 3.85, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.223, "fraction": 0.346}, "binding": {"pIC50": 6.84, "LE": 0.284, "potency_term": 0.613, "efficiency_cap": 0.947}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.613}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.187, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.674, "herg": 0.071, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.2231677523471545, "aff_pf": -0.8403174678484598, "aff_hs": -1.136745770772298, "repeats_pf": {"runs": 3, "values": [-0.885, -0.868, -0.7679], "mean": -0.8403, "spread": 0.1171}, "repeats_hs": {"runs": 3, "values": [-1.2067, -1.0924, -1.1112], "mean": -1.1367, "spread": 0.1143}, "at": 1787887988}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841147, "scored_at": 1787887988, "alerts": [], "rank": 3894}, {"candidate_id": "ODC-244CB8", "res_at": 1788964309, "skeleton": "DYKHUEIUTCLDSP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 31.535, "axes": {"activity": 13.97, "binding": 9.47, "selectivity": 0.78, "admet": 2.71, "novelty": 2.56, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.438, "fraction": 0.466}, "binding": {"pIC50": 6.42, "LE": 0.338, "potency_term": 0.473, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.082, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.14, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.581, "cyp2c9-veith": 0.562, "cyp3a4-substrate-carbonmangels": 0.1, "ld50-zhu": 0.646, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.438137104930983, "aff_pf": -0.4202953676382701, "aff_hs": -0.25633861621220905, "repeats_pf": {"runs": 3, "values": [-0.4737, -0.4159, -0.3713], "mean": -0.4203, "spread": 0.1024}, "repeats_hs": {"runs": 3, "values": [-0.2114, -0.2607, -0.2969], "mean": -0.2563, "spread": 0.0855}, "at": 1788964309}, "tier": 1, "alerts": [], "total_sd": 0.408, "total_ci95": [30.912, 32.458], "relegate_reason": [], "submitted_at": 1788963147, "scored_at": 1788964309, "rank": 3895}, {"candidate_id": "ODC-7D0F62", "res_at": 1786845496, "skeleton": "OZLCAHTVJOJUPY", "hf_user": "DOATC", "display_name": "SOL_70_BALSAFE_01", "model_name": "OpenaI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.502, "axes": {"activity": 13.28, "binding": 8.96, "selectivity": 1.33, "admet": 3.87, "novelty": 2.03, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.397, "fraction": 0.443}, "binding": {"pIC50": 6.34, "LE": 0.414, "potency_term": 0.448, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.448}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.494, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.885, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.498, "herg": 0.335, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.396838034448443, "aff_pf": -0.3434651990731557, "aff_hs": -0.045530747001369797, "repeats_pf": {"runs": 3, "values": [-0.3646, -0.3488, -0.317], "mean": -0.3435, "spread": 0.0476}, "repeats_hs": {"runs": 3, "values": [-0.0777, -0.0744, 0.0155], "mean": -0.0455, "spread": 0.0931}, "at": 1786845496}, "tier": 1, "relegate_reason": [], "submitted_at": 1786836314, "scored_at": 1786845496, "alerts": [], "rank": 3896}, {"candidate_id": "ODC-C59EAB", "res_at": 1788556112, "skeleton": "TZRMBPQZERRGGG", "hf_user": "1Dmeds", "display_name": "ODC26-S1D03", "model_name": "ensemble", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 31.483, "axes": {"activity": 12.9, "binding": 8.81, "selectivity": 1.95, "admet": 3.05, "novelty": 3.06, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 6.47, "LE": 0.269, "potency_term": 0.492, "efficiency_cap": 0.896}, "selectivity": {"fold": 2.5, "selectivity_term": 0.198, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.71, "caco2-wang": 0.348, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.714, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.3737013659291035, "aff_pf": -0.4749733805656433, "aff_hs": -0.07850852360328038, "repeats_pf": {"runs": 3, "values": [-0.4694, -0.5353, -0.4202], "mean": -0.475, "spread": 0.115}, "repeats_hs": {"runs": 3, "values": [-0.1678, -0.0788, 0.0111], "mean": -0.0785, "spread": 0.1789}, "at": 1788556112}, "tier": 1, "alerts": [], "total_sd": 0.548, "total_ci95": [30.422, 32.562], "relegate_reason": [], "submitted_at": 1788555335, "scored_at": 1788556112, "rank": 3897}, {"candidate_id": "ODC-CD2D66", "res_at": 1787565455, "skeleton": "MVVQCMKDWXLBHK", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········)CC2F", "total": 31.47, "axes": {"activity": 12.73, "binding": 9.74, "selectivity": 0.0, "admet": 4.1, "novelty": 3.76, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.424}, "binding": {"pIC50": 6.46, "LE": 0.305, "potency_term": 0.487, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.845, "cyp2c9-veith": 0.968, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.229, "novelty": 0.771}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 5.363827912968093, "aff_pf": -0.46149977048238117, "aff_hs": -0.5400123198827108, "repeats_pf": {"runs": 3, "values": [-0.37, -0.4857, -0.5288], "mean": -0.4615, "spread": 0.1587}, "repeats_hs": {"runs": 3, "values": [-0.5367, -0.4958, -0.5876], "mean": -0.54, "spread": 0.0918}, "at": 1787565455}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556959, "scored_at": 1787565455, "alerts": [], "rank": 3898}, {"candidate_id": "ODC-C917D5", "res_at": 1787228843, "skeleton": "ICTUJWYSQWWFTH", "hf_user": "takutoyo", "display_name": "PfD10-09", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCN(C)c··········nc2n1", "total": 31.465, "axes": {"activity": 19.39, "binding": 0.48, "selectivity": 0.0, "admet": 4.6, "novelty": 4.25, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.763, "fraction": 0.646}, "binding": {"pIC50": 5.08, "LE": 0.268, "potency_term": 0.027, "efficiency_cap": 0.892}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.027}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.315, "cyp3a4-substrate-carbonmangels": 0.645, "ld50-zhu": 0.451, "herg": 0.075, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.763420164744659, "aff_pf": 0.9201239347457886, "aff_hs": 0.8498876492182413, "repeats_pf": {"runs": 3, "values": [0.915, 0.911, 0.9344], "mean": 0.9201, "spread": 0.0234}, "repeats_hs": {"runs": 3, "values": [0.843, 0.8383, 0.8684], "mean": 0.8499, "spread": 0.03}, "at": 1787228843}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227248, "scored_at": 1787228843, "alerts": [], "rank": 3899}, {"candidate_id": "ODC-0A0340", "res_at": 1787161739, "skeleton": "JCGKIVRMOMLZFX", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········cccc1", "total": 31.449, "axes": {"activity": 14.26, "binding": 5.5, "selectivity": 4.98, "admet": 2.54, "novelty": 1.8, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 6.02, "LE": 0.243, "potency_term": 0.34, "efficiency_cap": 0.809}, "selectivity": {"fold": 29.1, "selectivity_term": 0.732, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.27, "cyp3a4-substrate-carbonmangels": 0.987, "ld50-zhu": 0.63, "herg": 0.05, "dili": 0.919}}, "novelty": {"max_tanimoto": 0.621, "novelty": 0.379}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "3", "pAct_q10": 5.455523820614501, "aff_pf": -0.019658256322145462, "aff_hs": 1.4444592396418254, "repeats_pf": {"runs": 3, "values": [-0.048, 0.026, -0.037], "mean": -0.0197, "spread": 0.074}, "repeats_hs": {"runs": 3, "values": [1.3417, 1.5198, 1.4718], "mean": 1.4445, "spread": 0.1781}, "at": 1787161739}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151150, "scored_at": 1787161739, "alerts": [], "rank": 3900}, {"candidate_id": "ODC-D3DE1E", "res_at": 1787085395, "skeleton": "MHWCVQJSDQYSPR", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 31.434, "axes": {"activity": 14.31, "binding": 6.08, "selectivity": 4.23, "admet": 1.75, "novelty": 3.04, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.458, "fraction": 0.477}, "binding": {"pIC50": 5.91, "LE": 0.3, "potency_term": 0.304, "efficiency_cap": 1.0}, "selectivity": {"fold": 24.7, "selectivity_term": 0.696, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.135, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.457, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.458369552854967, "aff_pf": 0.08820699155330658, "aff_hs": 1.4803421099980671, "repeats_pf": {"runs": 3, "values": [0.1734, 0.0844, 0.0068], "mean": 0.0882, "spread": 0.1667}, "repeats_hs": {"runs": 3, "values": [1.5601, 1.5654, 1.3154], "mean": 1.4803, "spread": 0.25}, "at": 1787085395}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074117, "scored_at": 1787085395, "alerts": [], "rank": 3901}, {"candidate_id": "ODC-760556", "res_at": 1788165345, "skeleton": "SMOWXXSHDGWEHN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 31.424, "axes": {"activity": 11.46, "binding": 10.24, "selectivity": 0.77, "admet": 3.3, "novelty": 3.54, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 6.54, "LE": 0.344, "potency_term": 0.512, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.512}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.544, "herg": 0.174, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.287867150027532, "aff_pf": -0.535845140616099, "aff_hs": -0.38585389653841656, "repeats_pf": {"runs": 3, "values": [-0.4787, -0.5451, -0.5837], "mean": -0.5358, "spread": 0.105}, "repeats_hs": {"runs": 3, "values": [-0.3599, -0.3625, -0.4352], "mean": -0.3859, "spread": 0.0753}, "at": 1788165345}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [30.547, 32.193], "relegate_reason": [], "submitted_at": 1788165149, "scored_at": 1788165345, "rank": 3902}, {"candidate_id": "ODC-E3E432", "res_at": 1789587013, "skeleton": "FJTZHZIFSWBPQP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········COCC1", "total": 31.415, "axes": {"activity": 15.17, "binding": 6.68, "selectivity": 1.82, "admet": 2.17, "novelty": 3.81, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.26, "LE": 0.238, "potency_term": 0.421, "efficiency_cap": 0.794}, "selectivity": {"fold": 2.7, "selectivity_term": 0.217, "target_engagement": 0.421}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.223, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.193, "ld50-zhu": 0.988, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "0", "pAct_q10": 5.510008549862763, "aff_pf": -0.2616674304008484, "aff_hs": 0.17142109076182047, "repeats_pf": {"runs": 3, "values": [-0.196, -0.2598, -0.3292], "mean": -0.2617, "spread": 0.1332}, "repeats_hs": {"runs": 3, "values": [0.15, 0.1901, 0.1742], "mean": 0.1714, "spread": 0.0402}, "at": 1789587013}, "tier": 1, "alerts": [], "total_sd": 0.4, "total_ci95": [30.803, 32.281], "relegate_reason": [], "submitted_at": 1789571959, "scored_at": 1789587013, "rank": 3903}, {"candidate_id": "ODC-1EECB6", "res_at": 1789586236, "skeleton": "KHXFIYVVPDDFCD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········C)CC1", "total": 31.388, "axes": {"activity": 14.36, "binding": 5.87, "selectivity": 3.12, "admet": 2.8, "novelty": 3.48, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.461, "fraction": 0.479}, "binding": {"pIC50": 6.13, "LE": 0.233, "potency_term": 0.377, "efficiency_cap": 0.778}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.377}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.086, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.994, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 5.46148708713446, "aff_pf": -0.13132788240909576, "aff_hs": 0.6953429381052653, "repeats_pf": {"runs": 3, "values": [-0.1713, -0.199, -0.0237], "mean": -0.1313, "spread": 0.1753}, "repeats_hs": {"runs": 3, "values": [0.709, 0.7559, 0.6211], "mean": 0.6953, "spread": 0.1348}, "at": 1789586236}, "tier": 1, "alerts": [], "total_sd": 0.587, "total_ci95": [30.226, 32.321], "relegate_reason": [], "submitted_at": 1789571953, "scored_at": 1789586236, "rank": 3904}, {"candidate_id": "ODC-D5541C", "res_at": 1789072214, "skeleton": "JXNAUBMJGJQBHC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········ccc12", "total": 31.387, "axes": {"activity": 17.56, "binding": 4.92, "selectivity": 0.0, "admet": 2.37, "novelty": 4.08, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.654, "fraction": 0.585}, "binding": {"pIC50": 5.97, "LE": 0.227, "potency_term": 0.325, "efficiency_cap": 0.758}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.325}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.537, "herg": 0.089, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.653747174484864, "aff_pf": 0.02607726554075877, "aff_hs": -0.03158762554327647, "repeats_pf": {"runs": 3, "values": [-0.0528, 0.0712, 0.0598], "mean": 0.0261, "spread": 0.124}, "repeats_hs": {"runs": 3, "values": [-0.0547, 0.0058, -0.0458], "mean": -0.0316, "spread": 0.0605}, "at": 1789072214}, "tier": 1, "alerts": [], "total_sd": 0.2, "total_ci95": [31.124, 31.87], "relegate_reason": [], "submitted_at": 1789045956, "scored_at": 1789072214, "rank": 3905}, {"candidate_id": "ODC-1DF21C", "res_at": 1787213776, "skeleton": "LBJUXDJLJATHII", "hf_user": "hansu99", "display_name": "R0K", "model_name": "Neberon3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 31.382, "axes": {"activity": 11.72, "binding": 9.98, "selectivity": 3.37, "admet": 2.73, "novelty": 1.4, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.303, "fraction": 0.391}, "binding": {"pIC50": 6.5, "LE": 0.318, "potency_term": 0.499, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.499}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.093, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.303331353312077, "aff_pf": -0.49687691529591876, "aff_hs": 0.17936851580937704, "repeats_pf": {"runs": 3, "values": [-0.497, -0.5293, -0.4643], "mean": -0.4969, "spread": 0.0651}, "repeats_hs": {"runs": 3, "values": [0.1691, 0.1873, 0.1817], "mean": 0.1794, "spread": 0.0183}, "at": 1787213776}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212754, "scored_at": 1787213776, "alerts": [], "rank": 3906}, {"candidate_id": "ODC-3A0687", "res_at": 1787383263, "skeleton": "SMTCVUIUGAMNCN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 31.357, "axes": {"activity": 19.96, "binding": 0.86, "selectivity": 0.22, "admet": 3.06, "novelty": 4.49, "synthesis": 2.77}, "detail": {"activity": {"pAct_q10": 5.798, "fraction": 0.665}, "binding": {"pIC50": 5.18, "LE": 0.215, "potency_term": 0.06, "efficiency_cap": 0.717}, "selectivity": {"fold": 2.3, "selectivity_term": 0.18, "target_engagement": 0.06}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.797799886356565, "aff_pf": 0.8202449282010397, "aff_hs": 1.1795704364776611, "repeats_pf": {"runs": 3, "values": [0.7836, 0.9271, 0.75], "mean": 0.8202, "spread": 0.1771}, "repeats_hs": {"runs": 3, "values": [1.1541, 1.1258, 1.2588], "mean": 1.1796, "spread": 0.1329}, "at": 1787383263}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383035, "scored_at": 1787383263, "alerts": [], "rank": 3907}, {"candidate_id": "ODC-03CF06", "res_at": 1787349158, "skeleton": "IYRAVCOVYLZTKQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 31.354, "axes": {"activity": 16.49, "binding": 5.67, "selectivity": 0.84, "admet": 2.56, "novelty": 3.59, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.59, "fraction": 0.55}, "binding": {"pIC50": 6.02, "LE": 0.25, "potency_term": 0.34, "efficiency_cap": 0.833}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 0.637, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.642, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.589652492952414, "aff_pf": -0.020093736549218495, "aff_hs": 0.2266655166943868, "repeats_pf": {"runs": 3, "values": [-0.1181, -0.2624, 0.3202], "mean": -0.0201, "spread": 0.5826}, "repeats_hs": {"runs": 3, "values": [0.2381, 0.0856, 0.3563], "mean": 0.2267, "spread": 0.2707}, "at": 1787349158}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347631, "scored_at": 1787349158, "alerts": [], "rank": 3908}, {"candidate_id": "ODC-528A2C", "res_at": 1789618980, "skeleton": "BPLARCLRZIOJRH", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 31.345, "axes": {"activity": 13.4, "binding": 8.14, "selectivity": 2.49, "admet": 3.08, "novelty": 3.06, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.404, "fraction": 0.447}, "binding": {"pIC50": 6.45, "LE": 0.252, "potency_term": 0.483, "efficiency_cap": 0.842}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.483}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.411, "hia-hou": 0.947, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.494, "cyp2c9-veith": 0.419, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.826, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.15}}, "run": {"gpu": "0", "pAct_q10": 5.40378140465836, "aff_pf": -0.4504661460717519, "aff_hs": 0.06521806865930557, "repeats_pf": {"runs": 3, "values": [-0.4561, -0.4291, -0.4663], "mean": -0.4505, "spread": 0.0372}, "repeats_hs": {"runs": 3, "values": [0.126, 0.0229, 0.0468], "mean": 0.0652, "spread": 0.1031}, "at": 1789618980}, "tier": 1, "alerts": [], "total_sd": 0.171, "total_ci95": [30.977, 31.642], "relegate_reason": [], "submitted_at": 1789617704, "scored_at": 1789618980, "rank": 3909}, {"candidate_id": "ODC-D3F2FF", "res_at": 1788133280, "skeleton": "XFIAPTVDGBROFE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.337, "axes": {"activity": 16.45, "binding": 3.91, "selectivity": 2.9, "admet": 2.54, "novelty": 2.97, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.548}, "binding": {"pIC50": 5.74, "LE": 0.238, "potency_term": 0.246, "efficiency_cap": 0.794}, "selectivity": {"fold": 15.1, "selectivity_term": 0.59, "target_engagement": 0.246}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "0", "pAct_q10": 5.587005724705599, "aff_pf": 0.2622348542014758, "aff_hs": 1.442043622334798, "repeats_pf": {"runs": 3, "values": [0.0789, 0.3666, 0.3412], "mean": 0.2622, "spread": 0.2877}, "repeats_hs": {"runs": 3, "values": [1.5806, 1.2514, 1.4941], "mean": 1.442, "spread": 0.3292}, "at": 1788133280}, "tier": 1, "alerts": [], "total_sd": 0.982, "total_ci95": [29.875, 33.996], "relegate_reason": [], "submitted_at": 1788132338, "scored_at": 1788133280, "rank": 3910}, {"candidate_id": "ODC-C4A2D1", "res_at": 1787365293, "skeleton": "NMRUVCKFRRNMQY", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 31.329, "axes": {"activity": 16.33, "binding": 4.18, "selectivity": 0.0, "admet": 4.89, "novelty": 4.07, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.544}, "binding": {"pIC50": 5.72, "LE": 0.261, "potency_term": 0.24, "efficiency_cap": 0.871}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.598, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.878, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.276, "ld50-zhu": 0.905, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.579719306350373, "aff_pf": 0.27948301037152606, "aff_hs": 0.0012939274311065674, "repeats_pf": {"runs": 3, "values": [0.32, 0.273, 0.2455], "mean": 0.2795, "spread": 0.0745}, "repeats_hs": {"runs": 3, "values": [0.0522, -0.0665, 0.0182], "mean": 0.0013, "spread": 0.1187}, "at": 1787365293}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364606, "scored_at": 1787365293, "alerts": [], "rank": 3911}, {"candidate_id": "ODC-F0FAAF", "res_at": 1788194857, "skeleton": "LNHZUKVKCRPKSD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 31.314, "axes": {"activity": 14.61, "binding": 6.51, "selectivity": 2.01, "admet": 2.62, "novelty": 3.14, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.476, "fraction": 0.487}, "binding": {"pIC50": 6.29, "LE": 0.227, "potency_term": 0.43, "efficiency_cap": 0.756}, "selectivity": {"fold": 2.9, "selectivity_term": 0.233, "target_engagement": 0.43}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.456, "ld50-zhu": 0.811, "herg": 0.05, "dili": 0.36}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "0", "pAct_q10": 5.476452039504619, "aff_pf": -0.2914937337239583, "aff_hs": 0.17457650850216547, "repeats_pf": {"runs": 3, "values": [-0.3392, -0.3356, -0.1997], "mean": -0.2915, "spread": 0.1395}, "repeats_hs": {"runs": 3, "values": [0.3066, 0.1123, 0.1049], "mean": 0.1746, "spread": 0.2017}, "at": 1788194857}, "tier": 1, "alerts": [], "total_sd": 0.497, "total_ci95": [30.489, 32.178], "relegate_reason": [], "submitted_at": 1788193101, "scored_at": 1788194857, "rank": 3912}, {"candidate_id": "ODC-4F49B1", "res_at": 1787552897, "skeleton": "NRYHMQKIDNKOHD", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.3, "axes": {"activity": 16.29, "binding": 7.66, "selectivity": 0.0, "admet": 1.75, "novelty": 3.18, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.577, "fraction": 0.543}, "binding": {"pIC50": 6.38, "LE": 0.25, "potency_term": 0.46, "efficiency_cap": 0.832}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.214, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.293, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.535, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.577493576316801, "aff_pf": -0.3800009588400523, "aff_hs": -1.3800270954767864, "repeats_pf": {"runs": 3, "values": [-0.3422, -0.416, -0.3817], "mean": -0.38, "spread": 0.0738}, "repeats_hs": {"runs": 3, "values": [-1.405, -1.2584, -1.4767], "mean": -1.38, "spread": 0.2182}, "at": 1787552897}, "tier": 1, "relegate_reason": [], "submitted_at": 1787532670, "scored_at": 1787552897, "alerts": [], "rank": 3913}, {"candidate_id": "ODC-006ED9", "res_at": 1787464067, "skeleton": "ZIMXABWGWPOSHD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········C1CC1", "total": 31.298, "axes": {"activity": 7.52, "binding": 10.66, "selectivity": 5.59, "admet": 2.59, "novelty": 2.95, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.051, "fraction": 0.251}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.2, "selectivity_term": 0.524, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.179, "ld50-zhu": 0.743, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.0514201531961245, "aff_pf": -0.5990474621454874, "aff_hs": 0.44979793826738995, "repeats_pf": {"runs": 3, "values": [-0.6244, -0.5812, -0.5915], "mean": -0.599, "spread": 0.0432}, "repeats_hs": {"runs": 3, "values": [0.5827, 0.5198, 0.2468], "mean": 0.4498, "spread": 0.3359}, "at": 1787464067}, "tier": 1, "relegate_reason": [], "submitted_at": 1787463681, "scored_at": 1787464067, "alerts": [], "rank": 3914}, {"candidate_id": "ODC-7BFFD8", "res_at": 1786780727, "skeleton": "XRJPWAUPILEDLG", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 31.291, "axes": {"activity": 18.27, "binding": 1.45, "selectivity": 0.0, "admet": 4.54, "novelty": 4.06, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.696, "fraction": 0.609}, "binding": {"pIC50": 5.22, "LE": 0.298, "potency_term": 0.073, "efficiency_cap": 0.993}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.073}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.294, "herg": 0.865, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.6959739551588555, "aff_pf": 0.7808561325073242, "aff_hs": 0.6094433466593424, "repeats_pf": {"runs": 3, "values": [0.8188, 0.7273, 0.7965], "mean": 0.7809, "spread": 0.0915}, "repeats_hs": {"runs": 3, "values": [0.5411, 0.6165, 0.6708], "mean": 0.6094, "spread": 0.1297}, "at": 1786780727}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779615, "scored_at": 1786780727, "alerts": [], "rank": 3915}, {"candidate_id": "ODC-D292E8", "res_at": 1786963583, "skeleton": "FXCBRSXGKBANSN", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········F)CC1", "total": 31.279, "axes": {"activity": 12.67, "binding": 9.84, "selectivity": 0.55, "admet": 3.36, "novelty": 2.97, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.36, "fraction": 0.422}, "binding": {"pIC50": 6.48, "LE": 0.317, "potency_term": 0.492, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.426, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.905, "herg": 0.382, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "2", "pAct_q10": 5.359977062439085, "aff_pf": -0.4757661024729411, "aff_hs": -0.3630990485350291, "repeats_pf": {"runs": 3, "values": [-0.3763, -0.4775, -0.5735], "mean": -0.4758, "spread": 0.1973}, "repeats_hs": {"runs": 3, "values": [-0.4385, -0.2639, -0.3869], "mean": -0.3631, "spread": 0.1746}, "at": 1786963583}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963393, "scored_at": 1786963583, "alerts": [], "rank": 3916}, {"candidate_id": "ODC-4D1993", "res_at": 1787871655, "skeleton": "SRDDIERUXFNBIE", "hf_user": "Bio-JS", "display_name": "가지: 아미노 (직결)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 31.27, "axes": {"activity": 18.55, "binding": 3.04, "selectivity": 0.32, "admet": 2.72, "novelty": 4.12, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.713, "fraction": 0.618}, "binding": {"pIC50": 5.64, "LE": 0.215, "potency_term": 0.213, "efficiency_cap": 0.715}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.286, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.319, "herg": 0.05, "dili": 0.521}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.713194932357133, "aff_pf": 0.3614751994609833, "aff_hs": 0.5123412907123566, "repeats_pf": {"runs": 3, "values": [0.3674, 0.3889, 0.3281], "mean": 0.3615, "spread": 0.0608}, "repeats_hs": {"runs": 3, "values": [0.1994, 0.2181, 1.1196], "mean": 0.5123, "spread": 0.9202}, "at": 1787850818}, "tier": 1, "relegate_reason": [], "submitted_at": 1787795909, "scored_at": 1787850818, "alerts": [], "rank": 3917}, {"candidate_id": "ODC-31D027", "res_at": 1788525016, "skeleton": "TUIIMNMTTWXNSX", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW2 cPr/CN/p-CF3", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 31.27, "axes": {"activity": 11.59, "binding": 8.19, "selectivity": 5.04, "admet": 2.61, "novelty": 1.98, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 6.23, "LE": 0.341, "potency_term": 0.41, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.0, "selectivity_term": 0.615, "target_engagement": 0.41}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.486, "herg": 0.114, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.295270191919391, "aff_pf": -0.2289410581191381, "aff_hs": 1.0018285314242046, "repeats_pf": {"runs": 3, "values": [-0.2743, -0.2454, -0.1672], "mean": -0.2289, "spread": 0.1071}, "repeats_hs": {"runs": 3, "values": [0.9465, 1.0821, 0.9769], "mean": 1.0018, "spread": 0.1356}, "at": 1788525016}, "tier": 1, "alerts": [], "total_sd": 0.521, "total_ci95": [30.041, 32.183], "relegate_reason": [], "submitted_at": 1788488170, "scored_at": 1788525016, "rank": 3918}, {"candidate_id": "ODC-86F9E3", "res_at": 1787318501, "skeleton": "FOJZUAPVUUJZIG", "hf_user": "takutoyo", "display_name": "PfD12-16", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 31.261, "axes": {"activity": 17.63, "binding": 5.57, "selectivity": 0.0, "admet": 2.21, "novelty": 3.99, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.658, "fraction": 0.588}, "binding": {"pIC50": 6.0, "LE": 0.249, "potency_term": 0.335, "efficiency_cap": 0.831}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.335}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.413, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.585, "ld50-zhu": 0.578, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "3", "pAct_q10": 5.6580870809388335, "aff_pf": -0.004742021361986796, "aff_hs": -0.5973689158757528, "repeats_pf": {"runs": 3, "values": [-0.0048, 0.1275, -0.1369], "mean": -0.0047, "spread": 0.2643}, "repeats_hs": {"runs": 3, "values": [-0.502, -0.6692, -0.6209], "mean": -0.5974, "spread": 0.1672}, "at": 1787318501}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315868, "scored_at": 1787318501, "alerts": [], "rank": 3919}, {"candidate_id": "ODC-3751A3", "res_at": 1789246463, "skeleton": "DRWXCYKYWOQZBJ", "hf_user": "Bio-JS", "display_name": "0913-S1-div28", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 31.245, "axes": {"activity": 14.31, "binding": 7.58, "selectivity": 1.49, "admet": 3.46, "novelty": 2.5, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.459, "fraction": 0.477}, "binding": {"pIC50": 6.14, "LE": 0.3, "potency_term": 0.379, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.196, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.854, "cyp3a4-substrate-carbonmangels": 0.229, "ld50-zhu": 0.59, "herg": 0.152, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.477, "novelty": 0.523}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.458669737757384, "aff_pf": -0.13747946918010712, "aff_hs": 0.2554842382669449, "repeats_pf": {"runs": 3, "values": [-0.065, -0.1533, -0.1941], "mean": -0.1375, "spread": 0.1291}, "repeats_hs": {"runs": 3, "values": [0.2795, 0.3114, 0.1756], "mean": 0.2555, "spread": 0.1358}, "at": 1789246463}, "tier": 1, "alerts": [], "total_sd": 0.389, "total_ci95": [30.333, 31.936], "relegate_reason": [], "submitted_at": 1789226392, "scored_at": 1789246463, "rank": 3920}, {"candidate_id": "ODC-F5B096", "res_at": 1786986787, "skeleton": "XBRJHQCTQDBEGG", "hf_user": "1Dmeds", "display_name": "ODC26-R7B-05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········ccc1I", "total": 31.206, "axes": {"activity": 12.84, "binding": 9.03, "selectivity": 2.05, "admet": 2.44, "novelty": 2.75, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.37, "fraction": 0.428}, "binding": {"pIC50": 6.35, "LE": 0.363, "potency_term": 0.452, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.227, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.722, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.467, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 5.370445124836898, "aff_pf": -0.3546460469563802, "aff_hs": 0.09971236189206441, "repeats_pf": {"runs": 3, "values": [-0.4033, -0.3378, -0.3228], "mean": -0.3546, "spread": 0.0805}, "repeats_hs": {"runs": 3, "values": [-0.0328, 0.3029, 0.029], "mean": 0.0997, "spread": 0.3357}, "at": 1786986787}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980717, "scored_at": 1786986787, "alerts": [], "rank": 3921}, {"candidate_id": "ODC-1B974D", "res_at": 1787871615, "skeleton": "WBKJRGOUISLPBE", "hf_user": "Bio-JS", "display_name": "스페이서2: 2-(3-메틸싸이에탄-3-일)에틸", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 31.178, "axes": {"activity": 13.69, "binding": 6.52, "selectivity": 4.36, "admet": 1.64, "novelty": 3.14, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 6.29, "LE": 0.227, "potency_term": 0.431, "efficiency_cap": 0.756}, "selectivity": {"fold": 10.3, "selectivity_term": 0.505, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.239, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.33, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.416, "herg": 0.05, "dili": 0.094}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.421249004295315, "aff_pf": -0.2929443120956421, "aff_hs": 0.7178202668825785, "repeats_pf": {"runs": 3, "values": [-0.1782, -0.3315, -0.3691], "mean": -0.2929, "spread": 0.1909}, "repeats_hs": {"runs": 3, "values": [0.6814, 0.7076, 0.7645], "mean": 0.7178, "spread": 0.0831}, "at": 1787867016}, "tier": 1, "relegate_reason": [], "submitted_at": 1787813161, "scored_at": 1787867016, "alerts": [], "rank": 3922}, {"candidate_id": "ODC-99F1BF", "res_at": 1787459904, "skeleton": "NYUATBNIEUPHCS", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc([··········1OCC2", "total": 31.178, "axes": {"activity": 5.62, "binding": 12.64, "selectivity": 1.72, "admet": 5.59, "novelty": 4.19, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 4.937, "fraction": 0.187}, "binding": {"pIC50": 6.9, "LE": 0.305, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.136, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.7, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.156, "ld50-zhu": 0.825, "herg": 0.247, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 4.43}}, "run": {"gpu": "3", "pAct_q10": 4.9373460209345, "aff_pf": -0.8960086504618326, "aff_hs": -0.623812218507131, "repeats_pf": {"runs": 3, "values": [-0.9019, -0.856, -0.9301], "mean": -0.896, "spread": 0.0741}, "repeats_hs": {"runs": 3, "values": [-0.6161, -0.6738, -0.5816], "mean": -0.6238, "spread": 0.0922}, "at": 1787459904}, "tier": 1, "relegate_reason": [], "submitted_at": 1787459178, "scored_at": 1787459904, "alerts": [], "rank": 3923}, {"candidate_id": "ODC-56DC0C", "res_at": 1788263239, "skeleton": "VMCGPHDLLMSMOY", "hf_user": "Bio-JS", "display_name": "0901-S1 아닐린 NH -> N-메틸 [음성대조]", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 31.178, "axes": {"activity": 13.64, "binding": 9.77, "selectivity": 0.01, "admet": 2.14, "novelty": 3.72, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.418, "fraction": 0.455}, "binding": {"pIC50": 6.72, "LE": 0.256, "potency_term": 0.573, "efficiency_cap": 0.852}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.573}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.051, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.486, "herg": 0.05, "dili": 0.273}}, "novelty": {"max_tanimoto": 0.238, "novelty": 0.762}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.418171230840691, "aff_pf": -0.7188901503880819, "aff_hs": -0.7167609731356303, "repeats_pf": {"runs": 3, "values": [-0.8288, -0.8026, -0.5253], "mean": -0.7189, "spread": 0.3035}, "repeats_hs": {"runs": 3, "values": [-0.6543, -0.7934, -0.7026], "mean": -0.7168, "spread": 0.1391}, "at": 1788263239}, "tier": 1, "alerts": [], "total_sd": 1.272, "total_ci95": [29.279, 33.558], "relegate_reason": [], "submitted_at": 1788222371, "scored_at": 1788263239, "rank": 3924}, {"candidate_id": "ODC-5A12DB", "res_at": 1787646988, "skeleton": "XQLFCJLIKMCIHT", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 31.156, "axes": {"activity": 9.3, "binding": 10.65, "selectivity": 1.94, "admet": 4.35, "novelty": 4.13, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 5.158, "fraction": 0.31}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.781, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.721, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.225, "novelty": 0.775}, "synthesis": {"sa_score": 4.97}}, "run": {"gpu": "3", "pAct_q10": 5.157888575651885, "aff_pf": -0.597562293211619, "aff_hs": -0.23240664104620615, "repeats_pf": {"runs": 3, "values": [-0.4076, -0.6904, -0.6947], "mean": -0.5976, "spread": 0.2871}, "repeats_hs": {"runs": 3, "values": [-0.1446, -0.2096, -0.3431], "mean": -0.2324, "spread": 0.1985}, "at": 1787646988}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641371, "scored_at": 1787646988, "alerts": [], "rank": 3925}, {"candidate_id": "ODC-FF9A2A", "res_at": 1787706706, "skeleton": "QRWXDHIYVNTXKM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN1CC(N··········2O)C1", "total": 31.134, "axes": {"activity": 9.06, "binding": 8.66, "selectivity": 4.38, "admet": 4.08, "novelty": 2.98, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.144, "fraction": 0.302}, "binding": {"pIC50": 6.3, "LE": 0.345, "potency_term": 0.433, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.628, "per_endpoint": {"solubility-aqsoldb": 0.614, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.875, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.652, "herg": 0.395, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.143651916330457, "aff_pf": -0.29865993062655133, "aff_hs": 0.71202019850413, "repeats_pf": {"runs": 3, "values": [-0.3099, -0.3073, -0.2788], "mean": -0.2987, "spread": 0.0312}, "repeats_hs": {"runs": 3, "values": [0.5174, 0.8678, 0.7509], "mean": 0.712, "spread": 0.3504}, "at": 1787706706}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702970, "scored_at": 1787706706, "alerts": [], "rank": 3926}, {"candidate_id": "ODC-659DAF", "res_at": 1786989925, "skeleton": "QUEFTTSYPHVSGQ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(=··········)nn1C", "total": 31.124, "axes": {"activity": 9.48, "binding": 11.04, "selectivity": 1.58, "admet": 3.31, "novelty": 3.77, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.169, "fraction": 0.316}, "binding": {"pIC50": 6.73, "LE": 0.288, "potency_term": 0.575, "efficiency_cap": 0.96}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.575}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.597, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.974, "herg": 0.05, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "2", "pAct_q10": 5.168703641166194, "aff_pf": -0.7255545258522034, "aff_hs": -0.45105357964833576, "repeats_pf": {"runs": 3, "values": [-0.6537, -0.7665, -0.7565], "mean": -0.7256, "spread": 0.1128}, "repeats_hs": {"runs": 3, "values": [-0.5041, -0.4065, -0.4426], "mean": -0.4511, "spread": 0.0976}, "at": 1786989925}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984753, "scored_at": 1786989925, "alerts": [], "rank": 3927}, {"candidate_id": "ODC-F39FC3", "res_at": 1787728191, "skeleton": "HYXGICRCKUGJNS", "hf_user": "Moonweave", "display_name": "M5AI-P12-OM-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········cc1OC", "total": 31.121, "axes": {"activity": 16.07, "binding": 7.36, "selectivity": 0.0, "admet": 1.85, "novelty": 3.37, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.536}, "binding": {"pIC50": 6.21, "LE": 0.274, "potency_term": 0.403, "efficiency_cap": 0.915}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.403}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.563935402136929, "aff_pf": -0.20798201858997345, "aff_hs": -0.476444810628891, "repeats_pf": {"runs": 3, "values": [-0.1807, -0.2896, -0.1537], "mean": -0.208, "spread": 0.1359}, "repeats_hs": {"runs": 3, "values": [-0.4012, -0.59, -0.4381], "mean": -0.4764, "spread": 0.1888}, "at": 1787728191}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726071, "scored_at": 1787728191, "alerts": [], "rank": 3928}, {"candidate_id": "ODC-A1348D", "res_at": 1789585472, "skeleton": "RYCDAJHTTQVXFK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.114, "axes": {"activity": 13.36, "binding": 7.99, "selectivity": 3.59, "admet": 1.51, "novelty": 3.1, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 6.46, "LE": 0.246, "potency_term": 0.487, "efficiency_cap": 0.82}, "selectivity": {"fold": 5.5, "selectivity_term": 0.368, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.225, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.562, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.895, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 5.4013230746213745, "aff_pf": -0.4622352520624797, "aff_hs": 0.27468134959538776, "repeats_pf": {"runs": 3, "values": [-0.4697, -0.4486, -0.4684], "mean": -0.4622, "spread": 0.0211}, "repeats_hs": {"runs": 3, "values": [0.4834, 0.1406, 0.2001], "mean": 0.2747, "spread": 0.3428}, "at": 1789585472}, "tier": 1, "alerts": [], "total_sd": 0.435, "total_ci95": [30.461, 32.131], "relegate_reason": [], "submitted_at": 1789571947, "scored_at": 1789585472, "rank": 3929}, {"candidate_id": "ODC-3F8050", "res_at": 1789911814, "skeleton": "PUQZKGVOZKOVOF", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 31.114, "axes": {"activity": 16.65, "binding": 2.4, "selectivity": 2.13, "admet": 4.15, "novelty": 3.42, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 5.5, "LE": 0.215, "potency_term": 0.167, "efficiency_cap": 0.718}, "selectivity": {"fold": 18.9, "selectivity_term": 0.639, "target_engagement": 0.167}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.38, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.736, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.599130512333233, "aff_pf": 0.49868254860242206, "aff_hs": 1.776208480199178, "repeats_pf": {"runs": 3, "values": [0.5804, 0.336, 0.5796], "mean": 0.4987, "spread": 0.2444}, "repeats_hs": {"runs": 3, "values": [1.8118, 1.7257, 1.7911], "mean": 1.7762, "spread": 0.0861}, "at": 1789911814}, "tier": 1, "alerts": [], "total_sd": 0.761, "total_ci95": [30.196, 32.991], "relegate_reason": [], "submitted_at": 1789837471, "scored_at": 1789911814, "rank": 3930}, {"candidate_id": "ODC-241982", "res_at": 1788802980, "skeleton": "OXJFIMXAGOATMC", "hf_user": "Bio-JS", "display_name": "0907-S1-30", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········2)CC1", "total": 31.111, "axes": {"activity": 14.73, "binding": 5.09, "selectivity": 3.29, "admet": 2.23, "novelty": 3.56, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.484, "fraction": 0.491}, "binding": {"pIC50": 5.98, "LE": 0.234, "potency_term": 0.326, "efficiency_cap": 0.78}, "selectivity": {"fold": 10.2, "selectivity_term": 0.504, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.942, "ld50-zhu": 0.789, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.4836914528240595, "aff_pf": 0.021829298386971157, "aff_hs": 1.0296414295832317, "repeats_pf": {"runs": 3, "values": [0.0269, 0.0347, 0.0038], "mean": 0.0218, "spread": 0.0309}, "repeats_hs": {"runs": 3, "values": [0.9835, 1.097, 1.0084], "mean": 1.0296, "spread": 0.1135}, "at": 1788802980}, "tier": 1, "alerts": [], "total_sd": 0.132, "total_ci95": [30.859, 31.367], "relegate_reason": [], "submitted_at": 1788707822, "scored_at": 1788802980, "rank": 3931}, {"candidate_id": "ODC-511941", "res_at": 1787281133, "skeleton": "NWYXHRHSWSFILZ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········Cl)c1", "total": 31.107, "axes": {"activity": 9.91, "binding": 13.18, "selectivity": 0.0, "admet": 3.49, "novelty": 2.23, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 6.98, "LE": 0.319, "potency_term": 0.659, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.659}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.769, "herg": 0.05, "dili": 0.262}}, "novelty": {"max_tanimoto": 0.662, "novelty": 0.338}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.1947604288112315, "aff_pf": -0.9774089256922404, "aff_hs": -1.2530779441197712, "repeats_pf": {"runs": 3, "values": [-0.9458, -0.9774, -1.009], "mean": -0.9774, "spread": 0.0631}, "repeats_hs": {"runs": 3, "values": [-1.2924, -1.1722, -1.2946], "mean": -1.2531, "spread": 0.1223}, "at": 1787281133}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276207, "scored_at": 1787281133, "alerts": [], "rank": 3932}, {"candidate_id": "ODC-A6EF55", "res_at": 1789091135, "skeleton": "UGHSUJJMBNXZPI", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(N)c1··········nc2n1", "total": 31.103, "axes": {"activity": 16.26, "binding": 4.6, "selectivity": 1.75, "admet": 4.59, "novelty": 2.54, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.576, "fraction": 0.542}, "binding": {"pIC50": 5.76, "LE": 0.272, "potency_term": 0.253, "efficiency_cap": 0.907}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.253}, "admet": {"geometric_mean": 0.565, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.324, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.652, "herg": 0.163, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.532, "novelty": 0.468}, "synthesis": {"sa_score": 4.23}}, "run": {"gpu": "0", "pAct_q10": 5.575616683464922, "aff_pf": 0.23971586426099142, "aff_hs": 0.9291450381278992, "repeats_pf": {"runs": 3, "values": [0.2628, 0.2776, 0.1787], "mean": 0.2397, "spread": 0.0989}, "repeats_hs": {"runs": 3, "values": [0.9341, 0.9022, 0.9511], "mean": 0.9291, "spread": 0.0489}, "at": 1789091135}, "tier": 1, "alerts": [], "total_sd": 0.296, "total_ci95": [30.667, 31.787], "relegate_reason": [], "submitted_at": 1789088747, "scored_at": 1789091135, "rank": 3933}, {"candidate_id": "ODC-DA0AD0", "res_at": 1787232008, "skeleton": "JUBPRXDFKLPILK", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········nH]n1", "total": 31.097, "axes": {"activity": 14.17, "binding": 8.44, "selectivity": 4.01, "admet": 3.11, "novelty": 0.0, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 6.28, "LE": 0.297, "potency_term": 0.427, "efficiency_cap": 0.989}, "selectivity": {"fold": 8.7, "selectivity_term": 0.47, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.439, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.437, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.226, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.885, "herg": 0.549, "dili": 0.253}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "3", "pAct_q10": 5.450123629545395, "aff_pf": -0.2797923982143402, "aff_hs": 0.661072293917338, "repeats_pf": {"runs": 3, "values": [-0.275, -0.2386, -0.3258], "mean": -0.2798, "spread": 0.0873}, "repeats_hs": {"runs": 3, "values": [0.7362, 0.6791, 0.5679], "mean": 0.6611, "spread": 0.1683}, "at": 1787232008}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231563, "scored_at": 1787232008, "alerts": [], "rank": 3934}, {"candidate_id": "ODC-9447ED", "res_at": 1787213972, "skeleton": "WBYPJVQPFONKDK", "hf_user": "hansu99", "display_name": "R0K", "model_name": "ASTA-3", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCN(··········3)CC1", "total": 31.096, "axes": {"activity": 18.37, "binding": 2.22, "selectivity": 0.63, "admet": 3.22, "novelty": 3.93, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.702, "fraction": 0.612}, "binding": {"pIC50": 5.47, "LE": 0.214, "potency_term": 0.156, "efficiency_cap": 0.713}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.51, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.439, "cyp3a4-substrate-carbonmangels": 0.09, "ld50-zhu": 0.83, "herg": 0.05, "dili": 0.152}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.702364342738933, "aff_pf": 0.5334149499734243, "aff_hs": 0.9405712087949117, "repeats_pf": {"runs": 3, "values": [0.5337, 0.6161, 0.4504], "mean": 0.5334, "spread": 0.1657}, "repeats_hs": {"runs": 3, "values": [0.6608, 1.3208, 0.8401], "mean": 0.9406, "spread": 0.66}, "at": 1787213972}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212924, "scored_at": 1787213972, "alerts": [], "rank": 3935}, {"candidate_id": "ODC-92A4DC", "res_at": 1786915828, "skeleton": "RYTABVQHGCWKMZ", "hf_user": "ipsych", "display_name": "TPY-pyrimidin5yl-3F", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.089, "axes": {"activity": 16.29, "binding": 6.47, "selectivity": 0.33, "admet": 2.84, "novelty": 2.72, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.577, "fraction": 0.543}, "binding": {"pIC50": 5.97, "LE": 0.315, "potency_term": 0.323, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.05, "target_engagement": 0.323}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.597, "cyp3a4-substrate-carbonmangels": 0.235, "ld50-zhu": 0.502, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.5774411975253795, "aff_pf": 0.0295077587167422, "aff_hs": 0.12998342514038086, "repeats_pf": {"runs": 3, "values": [0.1199, 0.2065, -0.2378], "mean": 0.0295, "spread": 0.4443}, "repeats_hs": {"runs": 3, "values": [0.1297, 0.1214, 0.1388], "mean": 0.13, "spread": 0.0174}, "at": 1786915828}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915137, "scored_at": 1786915828, "alerts": [], "rank": 3936}, {"candidate_id": "ODC-4D62B3", "res_at": 1787427905, "skeleton": "FUMITPXWKSRNHL", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 31.083, "axes": {"activity": 15.12, "binding": 8.48, "selectivity": 0.0, "admet": 2.11, "novelty": 3.48, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.507, "fraction": 0.504}, "binding": {"pIC50": 6.6, "LE": 0.238, "potency_term": 0.534, "efficiency_cap": 0.793}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.398, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.53, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.5070383425230025, "aff_pf": -0.6025670568148295, "aff_hs": -0.8672478298346201, "repeats_pf": {"runs": 3, "values": [-0.5069, -0.6771, -0.6238], "mean": -0.6026, "spread": 0.1702}, "repeats_hs": {"runs": 3, "values": [-0.2113, -1.0052, -1.3853], "mean": -0.8672, "spread": 1.174}, "at": 1787427905}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425606, "scored_at": 1787427905, "alerts": [], "rank": 3937}, {"candidate_id": "ODC-39D893", "res_at": 1789922472, "skeleton": "XYYAOJRQCBFOAA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 31.075, "axes": {"activity": 18.78, "binding": 3.38, "selectivity": 0.4, "admet": 2.69, "novelty": 2.69, "synthesis": 3.13}, "detail": {"activity": {"pAct_q10": 5.727, "fraction": 0.626}, "binding": {"pIC50": 5.65, "LE": 0.234, "potency_term": 0.216, "efficiency_cap": 0.782}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.216}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.262}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "2", "pAct_q10": 5.726542909991292, "aff_pf": 0.3517818848292033, "aff_hs": 0.5385583837827047, "repeats_pf": {"runs": 3, "values": [0.3309, 0.3942, 0.3303], "mean": 0.3518, "spread": 0.0638}, "repeats_hs": {"runs": 3, "values": [0.4867, 0.5689, 0.56], "mean": 0.5386, "spread": 0.0822}, "at": 1789922472}, "tier": 1, "alerts": [], "total_sd": 0.152, "total_ci95": [30.774, 31.319], "relegate_reason": [], "submitted_at": 1789907403, "scored_at": 1789922472, "rank": 3938}, {"candidate_id": "ODC-5E9F7E", "res_at": 1787893313, "skeleton": "SVBJDFZHFRMYQO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-12", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 31.073, "axes": {"activity": 13.77, "binding": 9.66, "selectivity": 0.0, "admet": 2.33, "novelty": 3.49, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.426, "fraction": 0.459}, "binding": {"pIC50": 6.63, "LE": 0.267, "potency_term": 0.543, "efficiency_cap": 0.89}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.543}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.286, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 5.426088492625993, "aff_pf": -0.6283945739269257, "aff_hs": -0.8298311034838358, "repeats_pf": {"runs": 3, "values": [-0.7359, -0.3993, -0.7499], "mean": -0.6284, "spread": 0.3506}, "repeats_hs": {"runs": 3, "values": [-0.7014, -0.7437, -1.0444], "mean": -0.8298, "spread": 0.343}, "at": 1787893313}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841224, "scored_at": 1787893313, "alerts": [], "rank": 3939}, {"candidate_id": "ODC-C5B7A7", "res_at": 1788771264, "skeleton": "PVQUYJLRFIMNRA", "hf_user": "Bio-JS", "display_name": "0906-S1-18 SMe/CN/R6-H/p-H/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 31.065, "axes": {"activity": 11.17, "binding": 7.69, "selectivity": 5.6, "admet": 3.07, "novelty": 1.75, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 6.15, "LE": 0.401, "potency_term": 0.385, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.6, "selectivity_term": 0.728, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.466, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.436, "herg": 0.859, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.270382462883557, "aff_pf": -0.15400413423776627, "aff_hs": 1.3016066948572795, "repeats_pf": {"runs": 3, "values": [-0.1837, -0.0293, -0.2491], "mean": -0.154, "spread": 0.2198}, "repeats_hs": {"runs": 3, "values": [1.2547, 1.364, 1.2861], "mean": 1.3016, "spread": 0.1093}, "at": 1788771264}, "tier": 1, "alerts": [], "total_sd": 1.094, "total_ci95": [28.955, 33.1], "relegate_reason": [], "submitted_at": 1788666019, "scored_at": 1788771264, "rank": 3940}, {"candidate_id": "ODC-116E39", "res_at": 1787453400, "skeleton": "JFECDUZRRLEBLW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2n··········C1CC1", "total": 31.062, "axes": {"activity": 11.83, "binding": 10.41, "selectivity": 1.06, "admet": 3.16, "novelty": 2.78, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.394}, "binding": {"pIC50": 6.56, "LE": 0.321, "potency_term": 0.521, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.102, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.481, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.051, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.309641516141718, "aff_pf": -0.5615224043528239, "aff_hs": -0.3584657609462738, "repeats_pf": {"runs": 3, "values": [-0.577, -0.578, -0.5295], "mean": -0.5615, "spread": 0.0485}, "repeats_hs": {"runs": 3, "values": [-0.2554, -0.3802, -0.4398], "mean": -0.3585, "spread": 0.1844}, "at": 1787453400}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453012, "scored_at": 1787453400, "alerts": [], "rank": 3941}, {"candidate_id": "ODC-35ECE6", "res_at": 1786778328, "skeleton": "DWHSVDRTOISJGD", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Pro + Consensus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 31.05, "axes": {"activity": 10.62, "binding": 13.34, "selectivity": 1.24, "admet": 3.59, "novelty": 0.0, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.237, "fraction": 0.354}, "binding": {"pIC50": 7.0, "LE": 0.309, "potency_term": 0.667, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.667}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.638, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.89, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 5.237475385929622, "aff_pf": -1.000257134437561, "aff_hs": -0.8142232298851013, "at": 1786778328}, "tier": 1, "relegate_reason": [], "submitted_at": 1786778158, "scored_at": 1786778328, "alerts": [], "rank": 3942}, {"candidate_id": "ODC-A32119", "res_at": 1787463877, "skeleton": "XSNGZHIQEGLDCG", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········C1CC1", "total": 31.027, "axes": {"activity": 8.83, "binding": 10.83, "selectivity": 3.3, "admet": 3.14, "novelty": 3.03, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.13, "fraction": 0.294}, "binding": {"pIC50": 6.63, "LE": 0.324, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.305, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.878, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.808, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.129871493053433, "aff_pf": -0.625194271405538, "aff_hs": -0.015491037319103876, "repeats_pf": {"runs": 3, "values": [-0.6021, -0.6591, -0.6144], "mean": -0.6252, "spread": 0.057}, "repeats_hs": {"runs": 3, "values": [-0.0011, 0.126, -0.1714], "mean": -0.0155, "spread": 0.2973}, "at": 1787463877}, "tier": 1, "relegate_reason": [], "submitted_at": 1787463669, "scored_at": 1787463877, "alerts": [], "rank": 3943}, {"candidate_id": "ODC-6BACF8", "res_at": 1787620526, "skeleton": "QEARFENORURNGN", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 3-(하이드록시메틸)옥세탄-3-일 (가지 극성)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 31.021, "axes": {"activity": 16.68, "binding": 5.52, "selectivity": 0.01, "admet": 2.8, "novelty": 3.71, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.601, "fraction": 0.556}, "binding": {"pIC50": 6.1, "LE": 0.226, "potency_term": 0.367, "efficiency_cap": 0.753}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.29, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.636, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.421, "herg": 0.05, "dili": 0.32}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.600598583210784, "aff_pf": -0.10059323906898499, "aff_hs": -0.09678519268830617, "repeats_pf": {"runs": 3, "values": [-0.0677, 0.1208, -0.3549], "mean": -0.1006, "spread": 0.4757}, "repeats_hs": {"runs": 3, "values": [-0.1295, -0.1, -0.0609], "mean": -0.0968, "spread": 0.0685}, "at": 1787620526}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618670, "scored_at": 1787620526, "alerts": [], "rank": 3944}, {"candidate_id": "ODC-7FD3B8", "res_at": 1788966455, "skeleton": "WYRZBKUZZZSJKQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 31.019, "axes": {"activity": 10.56, "binding": 9.49, "selectivity": 3.96, "admet": 2.57, "novelty": 2.07, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.234, "fraction": 0.352}, "binding": {"pIC50": 6.42, "LE": 0.383, "potency_term": 0.474, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.417, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.352, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.233634891121145, "aff_pf": -0.42311445871988934, "aff_hs": 0.4113602141539256, "repeats_pf": {"runs": 3, "values": [-0.3589, -0.5778, -0.3326], "mean": -0.4231, "spread": 0.2453}, "repeats_hs": {"runs": 3, "values": [0.4189, 0.41, 0.4052], "mean": 0.4114, "spread": 0.0137}, "at": 1788966455}, "tier": 1, "alerts": [], "total_sd": 1.288, "total_ci95": [29.458, 34.072], "relegate_reason": [], "submitted_at": 1788963630, "scored_at": 1788966455, "rank": 3945}, {"candidate_id": "ODC-F39D75", "res_at": 1789998655, "skeleton": "ZSMBNTKOTNUHJP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 31.006, "axes": {"activity": 18.32, "binding": 2.58, "selectivity": 0.0, "admet": 3.21, "novelty": 4.35, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.699, "fraction": 0.611}, "binding": {"pIC50": 5.52, "LE": 0.223, "potency_term": 0.174, "efficiency_cap": 0.742}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.174}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.323, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.774, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.699147960245742, "aff_pf": 0.47736142079035443, "aff_hs": -0.4247436821460724, "repeats_pf": {"runs": 3, "values": [0.4076, 0.5345, 0.49], "mean": 0.4774, "spread": 0.1269}, "repeats_hs": {"runs": 3, "values": [-0.4785, -0.3196, -0.4761], "mean": -0.4247, "spread": 0.1588}, "at": 1789998655}, "tier": 1, "alerts": [], "total_sd": 0.16, "total_ci95": [30.7, 31.237], "relegate_reason": [], "submitted_at": 1789993101, "scored_at": 1789998655, "rank": 3946}, {"candidate_id": "ODC-B68303", "res_at": 1787972014, "skeleton": "BSRQWNBSNWTCBO", "hf_user": "Bio-JS", "display_name": "C x 팔2 피리딜-싸이오모르폴린다이옥사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1sc2c··········)ccn1", "total": 30.983, "axes": {"activity": 17.06, "binding": 5.03, "selectivity": 0.0, "admet": 2.79, "novelty": 3.99, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.569}, "binding": {"pIC50": 6.02, "LE": 0.223, "potency_term": 0.339, "efficiency_cap": 0.742}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.516, "caco2-wang": 0.503, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.81, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "0", "pAct_q10": 5.6234056417499, "aff_pf": -0.015578252573808035, "aff_hs": -0.9833806157112122, "repeats_pf": {"runs": 3, "values": [0.1917, -0.119, -0.1194], "mean": -0.0156, "spread": 0.3111}, "repeats_hs": {"runs": 3, "values": [-0.8688, -0.9109, -1.1705], "mean": -0.9834, "spread": 0.3017}, "at": 1787972014}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967344, "scored_at": 1787972014, "alerts": [], "rank": 3947}, {"candidate_id": "ODC-0BCDBD", "res_at": 1788939121, "skeleton": "YGIIRPUQCHAWCD", "hf_user": "trblnfxn", "display_name": "NC-OPT-01", "model_name": "Hermes-NewCore-Pareto-v1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········C(F)F", "total": 30.982, "axes": {"activity": 13.36, "binding": 7.29, "selectivity": 2.31, "admet": 3.09, "novelty": 2.9, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 6.2, "LE": 0.274, "potency_term": 0.399, "efficiency_cap": 0.913}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.819, "cyp2c9-veith": 0.631, "cyp3a4-substrate-carbonmangels": 0.937, "ld50-zhu": 0.508, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.401376014713535, "aff_pf": -0.19705531497796377, "aff_hs": 0.38080354531606037, "repeats_pf": {"runs": 3, "values": [-0.1699, -0.0884, -0.3329], "mean": -0.1971, "spread": 0.2444}, "repeats_hs": {"runs": 3, "values": [0.2208, 0.6023, 0.3193], "mean": 0.3808, "spread": 0.3816}, "at": 1788939121}, "tier": 1, "alerts": [], "total_sd": 0.872, "total_ci95": [29.482, 32.997], "relegate_reason": [], "submitted_at": 1788938420, "scored_at": 1788939121, "rank": 3948}, {"candidate_id": "ODC-7B07EC", "res_at": 1789348943, "skeleton": "DLXIELKBMVMBQX", "hf_user": "Bio-JS", "display_name": "0914-S1-div04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 30.978, "axes": {"activity": 12.27, "binding": 7.97, "selectivity": 3.61, "admet": 2.9, "novelty": 2.45, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 6.19, "LE": 0.369, "potency_term": 0.398, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.762, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.414, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.33632986495697, "aff_pf": -0.19482839107513428, "aff_hs": 0.7124030391375223, "repeats_pf": {"runs": 3, "values": [-0.1533, -0.2883, -0.1429], "mean": -0.1948, "spread": 0.1454}, "repeats_hs": {"runs": 3, "values": [0.7202, 0.7116, 0.7053], "mean": 0.7124, "spread": 0.0149}, "at": 1789348943}, "tier": 1, "alerts": [], "total_sd": 0.612, "total_ci95": [30.288, 32.64], "relegate_reason": [], "submitted_at": 1789346078, "scored_at": 1789348943, "rank": 3949}, {"candidate_id": "ODC-7BC1B5", "res_at": 1788157052, "skeleton": "GVQXJSJCPLBBQM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 30.976, "axes": {"activity": 10.51, "binding": 9.52, "selectivity": 4.66, "admet": 3.32, "novelty": 1.54, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.23, "fraction": 0.35}, "binding": {"pIC50": 6.45, "LE": 0.295, "potency_term": 0.484, "efficiency_cap": 0.982}, "selectivity": {"fold": 9.2, "selectivity_term": 0.481, "target_engagement": 0.484}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.515, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.062, "ld50-zhu": 0.994, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.677, "novelty": 0.323}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.230377777126362, "aff_pf": -0.45322756965955097, "aff_hs": 0.5084211528301239, "repeats_pf": {"runs": 3, "values": [-0.455, -0.4645, -0.4402], "mean": -0.4532, "spread": 0.0243}, "repeats_hs": {"runs": 3, "values": [0.494, 0.5614, 0.4699], "mean": 0.5084, "spread": 0.0915}, "at": 1788157052}, "tier": 1, "alerts": [], "total_sd": 0.189, "total_ci95": [30.657, 31.34], "relegate_reason": [], "submitted_at": 1788145083, "scored_at": 1788157052, "rank": 3950}, {"candidate_id": "ODC-96EF9B", "res_at": 1789958307, "skeleton": "HBUKZDRPQPMECI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 30.971, "axes": {"activity": 13.94, "binding": 8.82, "selectivity": 0.0, "admet": 3.42, "novelty": 2.83, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 6.32, "LE": 0.333, "potency_term": 0.441, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.441}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.915, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.188, "ld50-zhu": 0.495, "herg": 0.41, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.436661877978857, "aff_pf": -0.32360752920309704, "aff_hs": -0.5527955094973246, "repeats_pf": {"runs": 3, "values": [-0.1901, -0.4047, -0.376], "mean": -0.3236, "spread": 0.2146}, "repeats_hs": {"runs": 3, "values": [-0.5714, -0.5835, -0.5035], "mean": -0.5528, "spread": 0.08}, "at": 1789958307}, "tier": 1, "alerts": [], "total_sd": 0.381, "total_ci95": [30.081, 31.572], "relegate_reason": [], "submitted_at": 1789889297, "scored_at": 1789958307, "rank": 3951}, {"candidate_id": "ODC-F3693F", "res_at": 1787347741, "skeleton": "IJYOAHXKWCLHFM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 30.958, "axes": {"activity": 12.04, "binding": 9.13, "selectivity": 2.68, "admet": 2.1, "novelty": 2.77, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 6.48, "LE": 0.277, "potency_term": 0.494, "efficiency_cap": 0.925}, "selectivity": {"fold": 3.5, "selectivity_term": 0.272, "target_engagement": 0.494}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 0.408, "pgp-broccatelli": 0.103, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.249, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.322107678712214, "aff_pf": -0.4811264971892039, "aff_hs": 0.06252907340725262, "repeats_pf": {"runs": 3, "values": [-0.4534, -0.4176, -0.5724], "mean": -0.4811, "spread": 0.1548}, "repeats_hs": {"runs": 3, "values": [0.6139, -0.4683, 0.042], "mean": 0.0625, "spread": 1.0822}, "at": 1787347741}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347522, "scored_at": 1787347741, "alerts": [], "rank": 3952}, {"candidate_id": "ODC-DE4B91", "res_at": 1789906930, "skeleton": "DOONHCRZUVRTNE", "hf_user": "Bio-JS", "display_name": "0918-S1-div19", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Br", "total": 30.916, "axes": {"activity": 11.92, "binding": 8.43, "selectivity": 3.36, "admet": 3.08, "novelty": 2.72, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.26, "LE": 0.358, "potency_term": 0.422, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.399, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.428, "herg": 0.939, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.315317144019585, "aff_pf": -0.2647961527109146, "aff_hs": 0.5325873494148254, "repeats_pf": {"runs": 3, "values": [-0.339, -0.195, -0.2604], "mean": -0.2648, "spread": 0.144}, "repeats_hs": {"runs": 3, "values": [0.5237, 0.5752, 0.4989], "mean": 0.5326, "spread": 0.0763}, "at": 1789906930}, "tier": 1, "alerts": [], "total_sd": 0.676, "total_ci95": [29.658, 32.248], "relegate_reason": [], "submitted_at": 1789687059, "scored_at": 1789906930, "rank": 3953}, {"candidate_id": "ODC-F86251", "res_at": 1787161352, "skeleton": "AZVSWYAQHRDILA", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········cccc1", "total": 30.914, "axes": {"activity": 14.7, "binding": 6.68, "selectivity": 2.23, "admet": 2.0, "novelty": 2.86, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 6.2, "LE": 0.25, "potency_term": 0.401, "efficiency_cap": 0.833}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.396, "hia-hou": 1.0, "bioavailability-ma": 0.749, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.412, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.548, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.48181054448988, "aff_pf": -0.20276825626691183, "aff_hs": 0.35257354378700256, "repeats_pf": {"runs": 3, "values": [-0.2501, -0.1685, -0.1897], "mean": -0.2028, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [0.216, 0.4696, 0.3721], "mean": 0.3526, "spread": 0.2536}, "at": 1787161352}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151111, "scored_at": 1787161352, "alerts": [], "rank": 3954}, {"candidate_id": "ODC-3302E8", "res_at": 1786840591, "skeleton": "CAGOWBRFWGFZKE", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 30.901, "axes": {"activity": 12.06, "binding": 7.23, "selectivity": 3.86, "admet": 3.58, "novelty": 2.28, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.323, "fraction": 0.402}, "binding": {"pIC50": 6.08, "LE": 0.397, "potency_term": 0.362, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.362}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.818, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.395, "herg": 0.954, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "2", "pAct_q10": 5.323323039228363, "aff_pf": -0.0845814123749733, "aff_hs": 0.9844686587651571, "repeats_pf": {"runs": 3, "values": [-0.0632, -0.0424, -0.1482], "mean": -0.0846, "spread": 0.1058}, "repeats_hs": {"runs": 3, "values": [0.9897, 1.0195, 0.9442], "mean": 0.9845, "spread": 0.0752}, "at": 1786840591}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805782, "scored_at": 1786840591, "alerts": [], "rank": 3955}, {"candidate_id": "ODC-F654E8", "res_at": 1789003106, "skeleton": "MSSQUONQZBQIRF", "hf_user": "Bio-JS", "display_name": "0910b-S1-05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.848, "axes": {"activity": 11.61, "binding": 8.57, "selectivity": 4.6, "admet": 2.45, "novelty": 1.65, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.387}, "binding": {"pIC50": 6.29, "LE": 0.331, "potency_term": 0.429, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.537, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.467, "herg": 0.1, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.296335859437945, "aff_pf": -0.2857962151368459, "aff_hs": 0.7876241008440653, "repeats_pf": {"runs": 3, "values": [-0.2973, -0.2512, -0.3089], "mean": -0.2858, "spread": 0.0578}, "repeats_hs": {"runs": 3, "values": [0.7322, 0.8094, 0.8213], "mean": 0.7876, "spread": 0.0891}, "at": 1789003106}, "tier": 1, "alerts": [], "total_sd": 0.296, "total_ci95": [30.202, 31.349], "relegate_reason": [], "submitted_at": 1789001559, "scored_at": 1789003106, "rank": 3956}, {"candidate_id": "ODC-3C9C22", "res_at": 1787427515, "skeleton": "IPMLQIDCOGXZGD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 30.821, "axes": {"activity": 16.99, "binding": 4.34, "selectivity": 0.63, "admet": 2.41, "novelty": 3.98, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 5.619, "fraction": 0.566}, "binding": {"pIC50": 5.9, "LE": 0.218, "potency_term": 0.298, "efficiency_cap": 0.728}, "selectivity": {"fold": 1.6, "selectivity_term": 0.105, "target_engagement": 0.298}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.619425852198458, "aff_pf": 0.1045500785112381, "aff_hs": 0.3147897571325302, "repeats_pf": {"runs": 3, "values": [0.1378, -0.001, 0.1769], "mean": 0.1046, "spread": 0.1779}, "repeats_hs": {"runs": 3, "values": [0.591, 0.1592, 0.1941], "mean": 0.3148, "spread": 0.4318}, "at": 1787427515}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425345, "scored_at": 1787427515, "alerts": [], "rank": 3957}, {"candidate_id": "ODC-A57A67", "res_at": 1789281577, "skeleton": "GBTQOKDXMPJCCT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 30.816, "axes": {"activity": 18.38, "binding": 1.35, "selectivity": 0.0, "admet": 4.23, "novelty": 4.58, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.703, "fraction": 0.613}, "binding": {"pIC50": 5.25, "LE": 0.248, "potency_term": 0.082, "efficiency_cap": 0.826}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.718, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 5.702756638029433, "aff_pf": 0.7547326683998108, "aff_hs": 0.42732248703638714, "repeats_pf": {"runs": 3, "values": [1.209, 0.4945, 0.5607], "mean": 0.7547, "spread": 0.7144}, "repeats_hs": {"runs": 3, "values": [0.3106, 0.6414, 0.3299], "mean": 0.4273, "spread": 0.3308}, "at": 1789281577}, "tier": 1, "alerts": [], "total_sd": 0.956, "total_ci95": [29.503, 32.387], "relegate_reason": [], "submitted_at": 1789280719, "scored_at": 1789281577, "rank": 3958}, {"candidate_id": "ODC-4936E7", "res_at": 1787384845, "skeleton": "OAKHWOGUBMKHGL", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 30.814, "axes": {"activity": 15.6, "binding": 4.49, "selectivity": 2.79, "admet": 2.35, "novelty": 3.23, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.536, "fraction": 0.52}, "binding": {"pIC50": 5.9, "LE": 0.225, "potency_term": 0.3, "efficiency_cap": 0.749}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.3}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.535974063575942, "aff_pf": 0.09935844751695792, "aff_hs": 1.0272156596183777, "repeats_pf": {"runs": 3, "values": [0.3337, -0.0539, 0.0183], "mean": 0.0994, "spread": 0.3877}, "repeats_hs": {"runs": 3, "values": [1.1421, 0.9686, 0.971], "mean": 1.0272, "spread": 0.1734}, "at": 1787384845}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383174, "scored_at": 1787384845, "alerts": [], "rank": 3959}, {"candidate_id": "ODC-802793", "res_at": 1789430004, "skeleton": "UHUYQDHTLBOBDR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(S··········)nn12", "total": 30.813, "axes": {"activity": 9.66, "binding": 9.3, "selectivity": 4.73, "admet": 3.12, "novelty": 2.67, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.179, "fraction": 0.322}, "binding": {"pIC50": 6.46, "LE": 0.286, "potency_term": 0.488, "efficiency_cap": 0.952}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.488}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.48, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.717, "ld50-zhu": 0.863, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.98}}, "run": {"gpu": "0", "pAct_q10": 5.1794714709676875, "aff_pf": -0.4641820987065633, "aff_hs": 0.5056688487529755, "repeats_pf": {"runs": 3, "values": [-0.5542, -0.4413, -0.3971], "mean": -0.4642, "spread": 0.1571}, "repeats_hs": {"runs": 3, "values": [0.5922, 0.5553, 0.3695], "mean": 0.5057, "spread": 0.2227}, "at": 1789430004}, "tier": 1, "alerts": [], "total_sd": 0.871, "total_ci95": [29.35, 32.886], "relegate_reason": [], "submitted_at": 1789429621, "scored_at": 1789430004, "rank": 3960}, {"candidate_id": "ODC-52725E", "res_at": 1787494892, "skeleton": "IMULMQGZTLGPOG", "hf_user": "takutoyo", "display_name": "PfD15-17", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 30.811, "axes": {"activity": 14.76, "binding": 9.19, "selectivity": 0.52, "admet": 1.77, "novelty": 3.04, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.486, "fraction": 0.492}, "binding": {"pIC50": 6.64, "LE": 0.253, "potency_term": 0.546, "efficiency_cap": 0.842}, "selectivity": {"fold": 1.2, "selectivity_term": 0.048, "target_engagement": 0.546}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.396, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "3", "pAct_q10": 5.485805507465849, "aff_pf": -0.6370810270309448, "aff_hs": -0.541774163643519, "repeats_pf": {"runs": 3, "values": [-0.6045, -0.752, -0.5548], "mean": -0.6371, "spread": 0.1972}, "repeats_hs": {"runs": 3, "values": [-0.5673, -0.4792, -0.5788], "mean": -0.5418, "spread": 0.0995}, "at": 1787494892}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491664, "scored_at": 1787494892, "alerts": [], "rank": 3961}, {"candidate_id": "ODC-75B16C", "res_at": 1787177675, "skeleton": "OCKYKKDSCYKOIT", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc2[nH]cnc2cc1-c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)c(F)c2)cc1", "smiles_masked": null, "total": 30.803, "axes": {"activity": 15.69, "binding": 7.19, "selectivity": 0.17, "admet": 2.08, "novelty": 3.11, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.541, "fraction": 0.523}, "binding": {"pIC50": 6.4, "LE": 0.231, "potency_term": 0.467, "efficiency_cap": 0.769}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.496, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.541217229806316, "aff_pf": -0.4015395740667979, "aff_hs": -0.3659806251525879, "repeats_pf": {"runs": 3, "values": [-0.3837, -0.4658, -0.3552], "mean": -0.4015, "spread": 0.1107}, "repeats_hs": {"runs": 3, "values": [-0.3511, -0.3592, -0.3876], "mean": -0.366, "spread": 0.0364}, "at": 1787177675}, "tier": 1, "relegate_reason": [], "submitted_at": 1787175838, "scored_at": 1787177675, "alerts": [], "rank": 3962}, {"candidate_id": "ODC-C7B2C0", "res_at": 1789914964, "skeleton": "PZRUUOUPOXFARG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 30.803, "axes": {"activity": 19.42, "binding": 0.25, "selectivity": 0.0, "admet": 4.38, "novelty": 4.49, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.765, "fraction": 0.647}, "binding": {"pIC50": 5.06, "LE": 0.198, "potency_term": 0.019, "efficiency_cap": 0.66}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 0.913, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.06, "ld50-zhu": 0.847, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 5.76508268560538, "aff_pf": 0.9436940749486288, "aff_hs": 0.4968424439430237, "repeats_pf": {"runs": 3, "values": [0.9725, 0.802, 1.0565], "mean": 0.9437, "spread": 0.2545}, "repeats_hs": {"runs": 3, "values": [0.4437, 0.4797, 0.5671], "mean": 0.4968, "spread": 0.1235}, "at": 1789914964}, "tier": 1, "alerts": [], "total_sd": 0.424, "total_ci95": [30.676, 31.859], "relegate_reason": [], "submitted_at": 1789863674, "scored_at": 1789914964, "rank": 3963}, {"candidate_id": "ODC-7E8E6F", "res_at": 1789176524, "skeleton": "QOUFJTRFGNAQAI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.795, "axes": {"activity": 16.02, "binding": 5.07, "selectivity": 1.38, "admet": 3.71, "novelty": 2.25, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 5.76, "LE": 0.316, "potency_term": 0.253, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.272, "target_engagement": 0.253}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.875, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.491, "herg": 0.222, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.561090309893167, "aff_pf": 0.23961656788984934, "aff_hs": 0.7834598819414774, "repeats_pf": {"runs": 3, "values": [0.2242, 0.2829, 0.2118], "mean": 0.2396, "spread": 0.0711}, "repeats_hs": {"runs": 3, "values": [0.6949, 0.7725, 0.883], "mean": 0.7835, "spread": 0.1881}, "at": 1789176524}, "tier": 1, "alerts": [], "total_sd": 0.239, "total_ci95": [30.318, 31.221], "relegate_reason": [], "submitted_at": 1789173956, "scored_at": 1789176524, "rank": 3964}, {"candidate_id": "ODC-080084", "res_at": 1786890719, "skeleton": "SERVSTUNOOGEQI", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········F)c1F", "total": 30.781, "axes": {"activity": 7.2, "binding": 9.82, "selectivity": 4.75, "admet": 3.56, "novelty": 3.47, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.032, "fraction": 0.24}, "binding": {"pIC50": 6.47, "LE": 0.355, "potency_term": 0.491, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.484, "target_engagement": 0.491}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.562, "ld50-zhu": 0.475, "herg": 0.49, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 5.032289144002708, "aff_pf": -0.4731215437253316, "aff_hs": 0.4940842390060425, "repeats_pf": {"runs": 3, "values": [-0.4553, -0.4534, -0.5106], "mean": -0.4731, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [0.4594, 0.4132, 0.6097], "mean": 0.4941, "spread": 0.1965}, "at": 1786890719}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881258, "scored_at": 1786890719, "alerts": [], "rank": 3965}, {"candidate_id": "ODC-F2E510", "res_at": 1789912026, "skeleton": "IHMFNSVZJLOUSQ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 30.775, "axes": {"activity": 17.18, "binding": 2.22, "selectivity": 1.3, "admet": 4.44, "novelty": 3.2, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.631, "fraction": 0.573}, "binding": {"pIC50": 5.48, "LE": 0.209, "potency_term": 0.16, "efficiency_cap": 0.695}, "selectivity": {"fold": 6.5, "selectivity_term": 0.405, "target_engagement": 0.16}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.481, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.633, "cyp3a4-substrate-carbonmangels": 0.84, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.6307790883176025, "aff_pf": 0.5199334224065145, "aff_hs": 1.3297457695007324, "repeats_pf": {"runs": 3, "values": [0.4321, 0.5676, 0.5601], "mean": 0.5199, "spread": 0.1355}, "repeats_hs": {"runs": 3, "values": [1.317, 1.3063, 1.3659], "mean": 1.3297, "spread": 0.0596}, "at": 1789912026}, "tier": 1, "alerts": [], "total_sd": 0.348, "total_ci95": [30.333, 31.628], "relegate_reason": [], "submitted_at": 1789837477, "scored_at": 1789912026, "rank": 3966}, {"candidate_id": "ODC-369681", "res_at": 1787895854, "skeleton": "JVNLKWNHJONLCX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-23", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 30.747, "axes": {"activity": 12.64, "binding": 9.86, "selectivity": 0.76, "admet": 2.74, "novelty": 2.83, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 6.58, "LE": 0.282, "potency_term": 0.525, "efficiency_cap": 0.939}, "selectivity": {"fold": 1.4, "selectivity_term": 0.072, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.427, "novelty": 0.573}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.358271618319896, "aff_pf": -0.5764619509379069, "aff_hs": -0.4327576359113057, "repeats_pf": {"runs": 3, "values": [-0.5047, -0.5673, -0.6573], "mean": -0.5765, "spread": 0.1526}, "repeats_hs": {"runs": 3, "values": [-0.3812, -0.4068, -0.5103], "mean": -0.4328, "spread": 0.1291}, "at": 1787895854}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841440, "scored_at": 1787895854, "alerts": [], "rank": 3967}, {"candidate_id": "ODC-2FEA7B", "res_at": 1789607650, "skeleton": "YXXIEQQTJIMVGM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNN(C)··········nc2n1", "total": 30.714, "axes": {"activity": 15.15, "binding": 7.22, "selectivity": 0.52, "admet": 3.1, "novelty": 3.43, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.509, "fraction": 0.505}, "binding": {"pIC50": 6.28, "LE": 0.253, "potency_term": 0.428, "efficiency_cap": 0.844}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.326, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 4.22}}, "run": {"gpu": "0", "pAct_q10": 5.509078692202711, "aff_pf": -0.2831416130065918, "aff_hs": -0.16114197174708048, "repeats_pf": {"runs": 3, "values": [-0.3163, -0.3023, -0.2309], "mean": -0.2831, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [-0.0576, -0.2403, -0.1855], "mean": -0.1611, "spread": 0.1827}, "at": 1789607650}, "tier": 1, "alerts": [], "total_sd": 0.29, "total_ci95": [30.189, 31.255], "relegate_reason": [], "submitted_at": 1789606753, "scored_at": 1789607650, "rank": 3968}, {"candidate_id": "ODC-8EF37C", "res_at": 1789948242, "skeleton": "NAXXFBKJLGNMEC", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.702, "axes": {"activity": 11.93, "binding": 8.92, "selectivity": 3.04, "admet": 3.24, "novelty": 1.7, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.316, "fraction": 0.398}, "binding": {"pIC50": 6.34, "LE": 0.377, "potency_term": 0.446, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.341, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.989, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.91, "cyp3a4-substrate-carbonmangels": 0.117, "ld50-zhu": 0.162, "herg": 0.82, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.618, "novelty": 0.382}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.315514951234182, "aff_pf": -0.3373805483182271, "aff_hs": 0.344879150390625, "repeats_pf": {"runs": 3, "values": [-0.3237, -0.2687, -0.4198], "mean": -0.3374, "spread": 0.1511}, "repeats_hs": {"runs": 3, "values": [0.3436, 0.3707, 0.3204], "mean": 0.3449, "spread": 0.0503}, "at": 1789948242}, "tier": 1, "alerts": [], "total_sd": 0.658, "total_ci95": [29.486, 32.213], "relegate_reason": [], "submitted_at": 1789829735, "scored_at": 1789948242, "rank": 3969}, {"candidate_id": "ODC-744CBD", "res_at": 1786951626, "skeleton": "TVFSVGWKVRUESY", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-16", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 30.696, "axes": {"activity": 9.4, "binding": 9.02, "selectivity": 4.03, "admet": 4.02, "novelty": 1.99, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.164, "fraction": 0.313}, "binding": {"pIC50": 6.35, "LE": 0.378, "potency_term": 0.451, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.447, "target_engagement": 0.451}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.561, "cyp3a4-substrate-carbonmangels": 0.837, "ld50-zhu": 0.604, "herg": 0.511, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.558, "novelty": 0.442}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "2", "pAct_q10": 5.164265972633886, "aff_pf": -0.352348397175471, "aff_hs": 0.5421392122904459, "repeats_pf": {"runs": 3, "values": [-0.3874, -0.3247, -0.3449], "mean": -0.3523, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [0.6388, 0.4252, 0.5624], "mean": 0.5421, "spread": 0.2136}, "at": 1786951626}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949085, "scored_at": 1786951626, "alerts": [], "rank": 3970}, {"candidate_id": "ODC-5F0582", "res_at": 1787719555, "skeleton": "ZKBWFCYDXMCQBH", "hf_user": "1Dmeds", "display_name": "ODC26-R2-12-SO2Me", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 30.694, "axes": {"activity": 13.36, "binding": 6.55, "selectivity": 3.52, "admet": 2.61, "novelty": 2.82, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 6.21, "LE": 0.243, "potency_term": 0.404, "efficiency_cap": 0.81}, "selectivity": {"fold": 7.4, "selectivity_term": 0.436, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.496, "caco2-wang": 0.353, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.379, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.229, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.401354748774555, "aff_pf": -0.21150710682074228, "aff_hs": 0.660398801167806, "repeats_pf": {"runs": 3, "values": [-0.2166, -0.2027, -0.2152], "mean": -0.2115, "spread": 0.0139}, "repeats_hs": {"runs": 3, "values": [0.3989, 1.1453, 0.437], "mean": 0.6604, "spread": 0.7464}, "at": 1787719555}, "tier": 1, "relegate_reason": [], "submitted_at": 1787717410, "scored_at": 1787719555, "alerts": [], "rank": 3971}, {"candidate_id": "ODC-833413", "res_at": 1786884908, "skeleton": "IUCWQJMLQBCBMG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 30.682, "axes": {"activity": 12.1, "binding": 9.19, "selectivity": 1.59, "admet": 3.13, "novelty": 2.74, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 6.38, "LE": 0.364, "potency_term": 0.459, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.173, "target_engagement": 0.459}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.598, "ld50-zhu": 0.484, "herg": 0.472, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.326293670090618, "aff_pf": -0.377965380748113, "aff_hs": -0.031986152132352196, "repeats_pf": {"runs": 3, "values": [-0.4116, -0.341, -0.3813], "mean": -0.378, "spread": 0.0706}, "repeats_hs": {"runs": 3, "values": [-0.0379, -0.0936, 0.0356], "mean": -0.032, "spread": 0.1292}, "at": 1786884908}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878496, "scored_at": 1786884908, "alerts": [], "rank": 3972}, {"candidate_id": "ODC-BE4EAC", "res_at": 1787352394, "skeleton": "CJJSRZYKLFEPKV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 30.667, "axes": {"activity": 13.42, "binding": 5.93, "selectivity": 4.28, "admet": 2.27, "novelty": 3.05, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 6.03, "LE": 0.258, "potency_term": 0.344, "efficiency_cap": 0.861}, "selectivity": {"fold": 17.5, "selectivity_term": 0.622, "target_engagement": 0.344}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.954, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.349, "herg": 0.269, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.405176413153042, "aff_pf": -0.03271019458770752, "aff_hs": 1.2105855544408162, "repeats_pf": {"runs": 3, "values": [-0.2876, 0.1463, 0.0432], "mean": -0.0327, "spread": 0.434}, "repeats_hs": {"runs": 3, "values": [1.4032, 1.1254, 1.1031], "mean": 1.2106, "spread": 0.3001}, "at": 1787352394}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347739, "scored_at": 1787352394, "alerts": [], "rank": 3973}, {"candidate_id": "ODC-22B354", "res_at": 1787168793, "skeleton": "YEKVVRVWBZNBPD", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=S(=O)(NCc1ccc(-c2ccc(C(F)(F)F)c(Cl)c2)cc1)c1ccc(-c2ccc3[nH]cnc3c2)cc1", "smiles_masked": null, "total": 30.64, "axes": {"activity": 15.92, "binding": 6.34, "selectivity": 0.0, "admet": 2.37, "novelty": 3.36, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.531}, "binding": {"pIC50": 6.24, "LE": 0.231, "potency_term": 0.412, "efficiency_cap": 0.77}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.988, "ld50-zhu": 0.84, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "3", "pAct_q10": 5.555120292621856, "aff_pf": -0.23587234814961752, "aff_hs": -0.5243264635403951, "repeats_pf": {"runs": 3, "values": [-0.354, -0.2065, -0.1471], "mean": -0.2359, "spread": 0.2069}, "repeats_hs": {"runs": 3, "values": [-0.4406, -0.527, -0.6054], "mean": -0.5243, "spread": 0.1648}, "at": 1787168793}, "tier": 1, "relegate_reason": [], "submitted_at": 1787164613, "scored_at": 1787168793, "alerts": [], "rank": 3974}, {"candidate_id": "ODC-C68251", "res_at": 1787928248, "skeleton": "HMMXIHMTNSHDHY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········C(F)F", "total": 30.636, "axes": {"activity": 8.83, "binding": 10.88, "selectivity": 2.03, "admet": 4.36, "novelty": 2.72, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.13, "fraction": 0.294}, "binding": {"pIC50": 6.63, "LE": 0.313, "potency_term": 0.544, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.186, "target_engagement": 0.544}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.634, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.4, "cyp2c9-veith": 0.362, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.7, "herg": 0.342, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 5.12986148504618, "aff_pf": -0.6312862038612366, "aff_hs": -0.2588089555501938, "repeats_pf": {"runs": 3, "values": [-0.5913, -0.6851, -0.6174], "mean": -0.6313, "spread": 0.0938}, "repeats_hs": {"runs": 3, "values": [-0.1384, -0.1766, -0.4614], "mean": -0.2588, "spread": 0.323}, "at": 1787928248}, "tier": 1, "relegate_reason": [], "submitted_at": 1787899273, "scored_at": 1787928248, "alerts": [], "rank": 3975}, {"candidate_id": "ODC-F0A5FA", "res_at": 1788617328, "skeleton": "QNMRUCRTZUZEKM", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-20A]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.625, "axes": {"activity": 12.38, "binding": 7.63, "selectivity": 3.5, "admet": 3.32, "novelty": 1.95, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 6.14, "LE": 0.351, "potency_term": 0.381, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.381}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.514, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.507, "herg": 0.527, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.342981995989765, "aff_pf": -0.1442318061987559, "aff_hs": 0.7730511824289957, "repeats_pf": {"runs": 3, "values": [-0.2633, -0.0886, -0.0808], "mean": -0.1442, "spread": 0.1824}, "repeats_hs": {"runs": 3, "values": [0.7339, 0.8258, 0.7594], "mean": 0.7731, "spread": 0.0918}, "at": 1788617328}, "tier": 1, "alerts": [], "total_sd": 0.719, "total_ci95": [29.737, 32.428], "relegate_reason": [], "submitted_at": 1788588704, "scored_at": 1788617328, "rank": 3976}, {"candidate_id": "ODC-D4C3FF", "res_at": 1789583951, "skeleton": "QZZFUQAXTUAWLX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1c(··········C)CC1", "total": 30.625, "axes": {"activity": 15.88, "binding": 4.33, "selectivity": 1.65, "admet": 2.81, "novelty": 3.88, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.553, "fraction": 0.529}, "binding": {"pIC50": 5.87, "LE": 0.223, "potency_term": 0.291, "efficiency_cap": 0.745}, "selectivity": {"fold": 3.7, "selectivity_term": 0.284, "target_engagement": 0.291}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.22, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.944, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.552514527362157, "aff_pf": 0.12728596975406012, "aff_hs": 0.6948103109995524, "repeats_pf": {"runs": 3, "values": [0.2999, 0.1522, -0.0703], "mean": 0.1273, "spread": 0.3702}, "repeats_hs": {"runs": 3, "values": [0.6583, 0.7626, 0.6635], "mean": 0.6948, "spread": 0.1042}, "at": 1789583951}, "tier": 1, "alerts": [], "total_sd": 0.95, "total_ci95": [28.936, 32.982], "relegate_reason": [], "submitted_at": 1789571935, "scored_at": 1789583951, "rank": 3977}, {"candidate_id": "ODC-C3B891", "res_at": 1786843871, "skeleton": "ZGAVLPVOHXPTDN", "hf_user": "ghost613", "display_name": "MAL-03 CF3-pyridinyl triazolopyrimidine", "model_name": "antropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.615, "axes": {"activity": 7.59, "binding": 10.0, "selectivity": 5.81, "admet": 4.27, "novelty": 0.64, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.055, "fraction": 0.253}, "binding": {"pIC50": 6.5, "LE": 0.356, "potency_term": 0.5, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.5, "selectivity_term": 0.581, "target_engagement": 0.5}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.485, "ld50-zhu": 0.515, "herg": 0.604, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.872, "novelty": 0.128}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.055464489528068, "aff_pf": -0.5004338622093201, "aff_hs": 0.6610388358434042, "repeats_pf": {"runs": 3, "values": [-0.5236, -0.4541, -0.5236], "mean": -0.5004, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [0.6674, 0.7152, 0.6005], "mean": 0.661, "spread": 0.1147}, "at": 1786843871}, "tier": 1, "relegate_reason": [], "submitted_at": 1786820669, "scored_at": 1786843871, "alerts": [], "rank": 3978}, {"candidate_id": "ODC-CD6DF7", "res_at": 1789233071, "skeleton": "HSJBTBVJPJHWKR", "hf_user": "Bio-JS", "display_name": "0913-S1-div10", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 30.601, "axes": {"activity": 10.17, "binding": 9.43, "selectivity": 3.23, "admet": 3.5, "novelty": 2.36, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.21, "fraction": 0.339}, "binding": {"pIC50": 6.42, "LE": 0.338, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.343, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.905, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.39, "herg": 0.65, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.210249778795489, "aff_pf": -0.4151356716950734, "aff_hs": 0.270318662126859, "repeats_pf": {"runs": 3, "values": [-0.5515, -0.3702, -0.3236], "mean": -0.4151, "spread": 0.2279}, "repeats_hs": {"runs": 3, "values": [0.2921, 0.3113, 0.2076], "mean": 0.2703, "spread": 0.1037}, "at": 1789233071}, "tier": 1, "alerts": [], "total_sd": 1.079, "total_ci95": [29.011, 33.308], "relegate_reason": [], "submitted_at": 1789226314, "scored_at": 1789233071, "rank": 3979}, {"candidate_id": "ODC-25889A", "res_at": 1787495095, "skeleton": "UDPOGZAHFRZEFL", "hf_user": "takutoyo", "display_name": "PfD15-18", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.592, "axes": {"activity": 14.66, "binding": 8.46, "selectivity": 1.38, "admet": 2.01, "novelty": 2.83, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.489}, "binding": {"pIC50": 6.39, "LE": 0.274, "potency_term": 0.464, "efficiency_cap": 0.912}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.464}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.317, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.05, "dili": 0.865}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 4.21}}, "run": {"gpu": "3", "pAct_q10": 5.47942657621396, "aff_pf": -0.39150895675023395, "aff_hs": -0.09337109451492627, "repeats_pf": {"runs": 3, "values": [-0.4057, -0.3757, -0.3931], "mean": -0.3915, "spread": 0.03}, "repeats_hs": {"runs": 3, "values": [0.0079, -0.0586, -0.2294], "mean": -0.0934, "spread": 0.2373}, "at": 1787495095}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491675, "scored_at": 1787495095, "alerts": [], "rank": 3980}, {"candidate_id": "ODC-19530F", "res_at": 1787049536, "skeleton": "KOLPTATVMSHZNI", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········2cc1C", "total": 30.584, "axes": {"activity": 4.73, "binding": 10.68, "selectivity": 8.13, "admet": 1.79, "novelty": 2.58, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 4.884, "fraction": 0.158}, "binding": {"pIC50": 6.6, "LE": 0.312, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.3, "selectivity_term": 0.761, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.224, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.401, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.094, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.842, "ld50-zhu": 0.21, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "2", "pAct_q10": 4.883551922470429, "aff_pf": -0.6024701595306396, "aff_hs": 0.9196366667747498, "repeats_pf": {"runs": 3, "values": [-0.6234, -0.5618, -0.6223], "mean": -0.6025, "spread": 0.0616}, "repeats_hs": {"runs": 3, "values": [0.9052, 0.8847, 0.969], "mean": 0.9196, "spread": 0.0844}, "at": 1787049536}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044965, "scored_at": 1787049536, "alerts": [], "rank": 3981}, {"candidate_id": "ODC-8AE7FF", "res_at": 1789242097, "skeleton": "NXNMPCPOIDUHJP", "hf_user": "Bio-JS", "display_name": "0913-S1-div22", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 30.571, "axes": {"activity": 13.24, "binding": 7.58, "selectivity": 2.04, "admet": 2.88, "novelty": 2.9, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 6.14, "LE": 0.336, "potency_term": 0.379, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.269, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.277, "ld50-zhu": 0.499, "herg": 0.091, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.394392021386327, "aff_pf": -0.13675437370936075, "aff_hs": 0.4021190007527669, "repeats_pf": {"runs": 3, "values": [0.0082, -0.132, -0.2865], "mean": -0.1368, "spread": 0.2947}, "repeats_hs": {"runs": 3, "values": [0.3759, 0.4176, 0.4129], "mean": 0.4021, "spread": 0.0417}, "at": 1789242097}, "tier": 1, "alerts": [], "total_sd": 0.83, "total_ci95": [28.9, 32.427], "relegate_reason": [], "submitted_at": 1789226368, "scored_at": 1789242097, "rank": 3982}, {"candidate_id": "ODC-CE4672", "res_at": 1787035596, "skeleton": "WHAMYLFTOBIOIA", "hf_user": "epicsaga", "display_name": "PFD2-02", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········cc2c1", "total": 30.557, "axes": {"activity": 15.3, "binding": 7.01, "selectivity": 0.0, "admet": 2.88, "novelty": 2.82, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.518, "fraction": 0.51}, "binding": {"pIC50": 6.19, "LE": 0.265, "potency_term": 0.397, "efficiency_cap": 0.883}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.397}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.507, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.707, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.632, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "3", "pAct_q10": 5.517719461388158, "aff_pf": -0.1903315931558609, "aff_hs": -0.8966001768906912, "repeats_pf": {"runs": 3, "values": [-0.1331, -0.2099, -0.228], "mean": -0.1903, "spread": 0.0949}, "repeats_hs": {"runs": 3, "values": [-1.1344, -0.4837, -1.0716], "mean": -0.8966, "spread": 0.6507}, "at": 1787035596}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032598, "scored_at": 1787035596, "alerts": [], "rank": 3983}, {"candidate_id": "ODC-49F269", "res_at": 1786933908, "skeleton": "QYWZNIJKVZALGZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.542, "axes": {"activity": 14.62, "binding": 8.61, "selectivity": 1.09, "admet": 1.83, "novelty": 2.02, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 6.29, "LE": 0.308, "potency_term": 0.431, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.127, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.568, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "2", "pAct_q10": 5.477146150798608, "aff_pf": -0.29196470975875854, "aff_hs": -0.03791954120000204, "repeats_pf": {"runs": 3, "values": [-0.3144, -0.2844, -0.277], "mean": -0.292, "spread": 0.0374}, "repeats_hs": {"runs": 3, "values": [-0.029, 0.0068, -0.0916], "mean": -0.0379, "spread": 0.0984}, "at": 1786933908}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925668, "scored_at": 1786933908, "alerts": [], "rank": 3984}, {"candidate_id": "ODC-79587E", "res_at": 1786871901, "skeleton": "QHOHHAXNSWHQMO", "hf_user": "DOATC", "display_name": "SOL_RETAKE_04", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.539, "axes": {"activity": 8.72, "binding": 10.76, "selectivity": 2.12, "admet": 4.27, "novelty": 2.4, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.123, "fraction": 0.291}, "binding": {"pIC50": 6.61, "LE": 0.378, "potency_term": 0.538, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.197, "target_engagement": 0.538}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.705, "cyp3a4-substrate-carbonmangels": 0.454, "ld50-zhu": 0.405, "herg": 0.426, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.123220455953765, "aff_pf": -0.6143168608347574, "aff_hs": -0.2194235920906067, "repeats_pf": {"runs": 3, "values": [-0.6102, -0.5799, -0.6529], "mean": -0.6143, "spread": 0.073}, "repeats_hs": {"runs": 3, "values": [-0.189, -0.2221, -0.2471], "mean": -0.2194, "spread": 0.0581}, "at": 1786871901}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865942, "scored_at": 1786871901, "alerts": [], "rank": 3985}, {"candidate_id": "ODC-99C59C", "res_at": 1787630295, "skeleton": "XIJLWMXCKPTQLR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········3)cc1", "total": 30.536, "axes": {"activity": 17.89, "binding": 3.43, "selectivity": 0.0, "admet": 3.04, "novelty": 3.26, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.673, "fraction": 0.596}, "binding": {"pIC50": 5.55, "LE": 0.282, "potency_term": 0.183, "efficiency_cap": 0.939}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.183}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.399, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.334, "herg": 0.05, "dili": 0.361}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.673417393780001, "aff_pf": 0.4511813720067342, "aff_hs": 0.14819411436716715, "repeats_pf": {"runs": 3, "values": [0.1515, 0.575, 0.627], "mean": 0.4512, "spread": 0.4756}, "repeats_hs": {"runs": 3, "values": [0.3631, 0.0248, 0.0566], "mean": 0.1482, "spread": 0.3383}, "at": 1787630295}, "tier": 1, "relegate_reason": [], "submitted_at": 1787623733, "scored_at": 1787630295, "alerts": [], "rank": 3986}, {"candidate_id": "ODC-D4AD22", "res_at": 1787624677, "skeleton": "GTCAUQJUMOCUCF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 30.533, "axes": {"activity": 16.01, "binding": 6.71, "selectivity": 0.0, "admet": 3.06, "novelty": 2.63, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 6.15, "LE": 0.263, "potency_term": 0.382, "efficiency_cap": 0.877}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.382}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.599, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.756, "ld50-zhu": 0.638, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.560696712077782, "aff_pf": -0.14706299702326456, "aff_hs": -0.4835096001625061, "repeats_pf": {"runs": 3, "values": [-0.1568, -0.1346, -0.1498], "mean": -0.1471, "spread": 0.0222}, "repeats_hs": {"runs": 3, "values": [-0.389, -0.5302, -0.5313], "mean": -0.4835, "spread": 0.1423}, "at": 1787624677}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620993, "scored_at": 1787624677, "alerts": [], "rank": 3987}, {"candidate_id": "ODC-D8136E", "res_at": 1788977718, "skeleton": "UCBHXCPTXKGFHM", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········Cl)c1", "total": 30.527, "axes": {"activity": 8.67, "binding": 9.51, "selectivity": 3.56, "admet": 3.36, "novelty": 3.04, "synthesis": 2.38}, "detail": {"activity": {"pAct_q10": 5.12, "fraction": 0.289}, "binding": {"pIC50": 6.43, "LE": 0.383, "potency_term": 0.476, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.374, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.919, "ld50-zhu": 0.453, "herg": 0.5, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 5.120305954349917, "aff_pf": -0.4266735116640727, "aff_hs": 0.3219447135925293, "repeats_pf": {"runs": 3, "values": [-0.4829, -0.3593, -0.4378], "mean": -0.4267, "spread": 0.1235}, "repeats_hs": {"runs": 3, "values": [0.2837, 0.2674, 0.4147], "mean": 0.3219, "spread": 0.1473}, "at": 1788977718}, "tier": 1, "alerts": [], "total_sd": 0.597, "total_ci95": [29.504, 31.6], "relegate_reason": [], "submitted_at": 1788971805, "scored_at": 1788977718, "rank": 3988}, {"candidate_id": "ODC-1BA578", "res_at": 1787951625, "skeleton": "WKZYJKSWRZSJTC", "hf_user": "Bio-JS", "display_name": "E3 [대조] 우리 소형 코어 x DSM 아닐린", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 30.522, "axes": {"activity": 9.52, "binding": 7.96, "selectivity": 5.39, "admet": 3.15, "novelty": 2.59, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.171, "fraction": 0.317}, "binding": {"pIC50": 6.19, "LE": 0.369, "potency_term": 0.398, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.6, "selectivity_term": 0.677, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.857, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.417, "herg": 0.412, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.171243715385186, "aff_pf": -0.19429554045200348, "aff_hs": 1.159063498179118, "repeats_pf": {"runs": 3, "values": [-0.2914, -0.0591, -0.2324], "mean": -0.1943, "spread": 0.2323}, "repeats_hs": {"runs": 3, "values": [1.1322, 1.1693, 1.1757], "mean": 1.1591, "spread": 0.0436}, "at": 1787951625}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945063, "scored_at": 1787951625, "alerts": [], "rank": 3989}, {"candidate_id": "ODC-F11345", "res_at": 1788090403, "skeleton": "VIPWVEKNARKOON", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cnc··········3)n12", "total": 30.521, "axes": {"activity": 9.57, "binding": 9.82, "selectivity": 2.79, "admet": 3.48, "novelty": 2.82, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.174, "fraction": 0.319}, "binding": {"pIC50": 6.47, "LE": 0.37, "potency_term": 0.491, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.284, "target_engagement": 0.491}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.689, "ld50-zhu": 0.546, "herg": 0.356, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.17430074255326, "aff_pf": -0.4731941024462382, "aff_hs": 0.09548601259787877, "repeats_pf": {"runs": 3, "values": [-0.5469, -0.3938, -0.4789], "mean": -0.4732, "spread": 0.1531}, "repeats_hs": {"runs": 3, "values": [0.1736, 0.0009, 0.1119], "mean": 0.0955, "spread": 0.1727}, "at": 1788090403}, "tier": 1, "alerts": [], "total_sd": 0.684, "total_ci95": [29.28, 31.843], "relegate_reason": [], "submitted_at": 1788080543, "scored_at": 1788090403, "rank": 3990}, {"candidate_id": "ODC-7064C3", "res_at": 1788223421, "skeleton": "AJAYZLHRQZROQX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 30.514, "axes": {"activity": 7.45, "binding": 10.0, "selectivity": 4.31, "admet": 4.63, "novelty": 2.19, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.047, "fraction": 0.248}, "binding": {"pIC50": 6.5, "LE": 0.356, "potency_term": 0.5, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.5}, "admet": {"geometric_mean": 0.617, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.514, "ld50-zhu": 0.521, "herg": 0.781, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.561, "novelty": 0.439}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.04709500565377, "aff_pf": -0.5005921622117361, "aff_hs": 0.36079583565394086, "repeats_pf": {"runs": 3, "values": [-0.5589, -0.5634, -0.3795], "mean": -0.5006, "spread": 0.1839}, "repeats_hs": {"runs": 3, "values": [0.2805, 0.412, 0.3899], "mean": 0.3608, "spread": 0.1315}, "at": 1788223421}, "tier": 1, "alerts": [], "total_sd": 0.983, "total_ci95": [28.264, 32.004], "relegate_reason": [], "submitted_at": 1788165497, "scored_at": 1788223421, "rank": 3991}, {"candidate_id": "ODC-502D9F", "res_at": 1789931150, "skeleton": "LBASKTPEJJUJSL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 30.505, "axes": {"activity": 17.87, "binding": 2.12, "selectivity": 0.98, "admet": 3.91, "novelty": 2.66, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 5.672, "fraction": 0.596}, "binding": {"pIC50": 5.41, "LE": 0.232, "potency_term": 0.137, "efficiency_cap": 0.772}, "selectivity": {"fold": 5.2, "selectivity_term": 0.358, "target_engagement": 0.137}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.736, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.754, "ld50-zhu": 0.513, "herg": 0.08, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "0", "pAct_q10": 5.6720405816040795, "aff_pf": 0.5890083114306132, "aff_hs": 1.30577552318573, "repeats_pf": {"runs": 3, "values": [0.7845, 0.437, 0.5456], "mean": 0.589, "spread": 0.3475}, "repeats_hs": {"runs": 3, "values": [1.3447, 1.3194, 1.2532], "mean": 1.3058, "spread": 0.0915}, "at": 1789931150}, "tier": 1, "alerts": [], "total_sd": 0.84, "total_ci95": [28.845, 32.059], "relegate_reason": [], "submitted_at": 1789778688, "scored_at": 1789931150, "rank": 3992}, {"candidate_id": "ODC-4D3389", "res_at": 1789903867, "skeleton": "OVANWEWUNYQNHU", "hf_user": "Bio-JS", "display_name": "0918-S1-div14", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 30.504, "axes": {"activity": 11.92, "binding": 8.05, "selectivity": 3.93, "admet": 2.79, "novelty": 1.98, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 6.21, "LE": 0.34, "potency_term": 0.403, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.5, "selectivity_term": 0.488, "target_engagement": 0.403}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.491, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.346, "herg": 0.272, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.315493844668757, "aff_pf": -0.20799224575360617, "aff_hs": 0.7680895328521729, "repeats_pf": {"runs": 3, "values": [-0.157, -0.1663, -0.3007], "mean": -0.208, "spread": 0.1438}, "repeats_hs": {"runs": 3, "values": [0.6524, 0.8446, 0.8073], "mean": 0.7681, "spread": 0.1921}, "at": 1789903867}, "tier": 1, "alerts": [], "total_sd": 0.67, "total_ci95": [29.559, 32.331], "relegate_reason": [], "submitted_at": 1789687044, "scored_at": 1789903867, "rank": 3993}, {"candidate_id": "ODC-F7D316", "res_at": 1787288901, "skeleton": "ODZRKODKUSDZRA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 30.479, "axes": {"activity": 15.39, "binding": 5.02, "selectivity": 0.0, "admet": 4.48, "novelty": 3.82, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.524, "fraction": 0.513}, "binding": {"pIC50": 5.8, "LE": 0.284, "potency_term": 0.266, "efficiency_cap": 0.945}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.975, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.097, "ld50-zhu": 0.83, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.523600706501214, "aff_pf": 0.20289194087187448, "aff_hs": 0.17917664845784506, "repeats_pf": {"runs": 3, "values": [0.2043, 0.186, 0.2183], "mean": 0.2029, "spread": 0.0323}, "repeats_hs": {"runs": 3, "values": [0.1389, 0.2321, 0.1665], "mean": 0.1792, "spread": 0.0932}, "at": 1787288901}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286755, "scored_at": 1787288901, "alerts": [], "rank": 3994}, {"candidate_id": "ODC-9DEACF", "res_at": 1788521550, "skeleton": "HOQMEDXZRJVWBE", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW2 cPr/OMe/p-MeCF2", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 30.471, "axes": {"activity": 13.95, "binding": 7.59, "selectivity": 1.95, "admet": 2.7, "novelty": 2.16, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 6.14, "LE": 0.336, "potency_term": 0.379, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.257, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.43700365706829, "aff_pf": -0.13791435460249582, "aff_hs": 0.37708542744318646, "repeats_pf": {"runs": 3, "values": [-0.1955, -0.1427, -0.0756], "mean": -0.1379, "spread": 0.1199}, "repeats_hs": {"runs": 3, "values": [0.4486, 0.4033, 0.2794], "mean": 0.3771, "spread": 0.1692}, "at": 1788521550}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [29.725, 31.244], "relegate_reason": [], "submitted_at": 1788488240, "scored_at": 1788521550, "rank": 3995}, {"candidate_id": "ODC-24B2A5", "res_at": 1786841525, "skeleton": "KMFYKBPSHCRCDK", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.468, "axes": {"activity": 15.88, "binding": 5.35, "selectivity": 2.82, "admet": 2.28, "novelty": 1.6, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 5.553, "fraction": 0.529}, "binding": {"pIC50": 5.87, "LE": 0.277, "potency_term": 0.29, "efficiency_cap": 0.924}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.314, "cyp2c9-veith": 0.276, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.483, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 5.55267062681318, "aff_pf": 0.1309198041756948, "aff_hs": 1.1027048031489055, "repeats_pf": {"runs": 3, "values": [0.1784, 0.0461, 0.1683], "mean": 0.1309, "spread": 0.1323}, "repeats_hs": {"runs": 3, "values": [1.0602, 1.1495, 1.0984], "mean": 1.1027, "spread": 0.0893}, "at": 1786841525}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806781, "scored_at": 1786841525, "alerts": [], "rank": 3996}, {"candidate_id": "ODC-AFE4ED", "res_at": 1787427320, "skeleton": "NTQMGEKKBKTUDD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 30.468, "axes": {"activity": 18.93, "binding": 1.23, "selectivity": 0.0, "admet": 3.14, "novelty": 4.28, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.736, "fraction": 0.631}, "binding": {"pIC50": 5.26, "LE": 0.212, "potency_term": 0.087, "efficiency_cap": 0.707}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.087}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.711, "ld50-zhu": 0.676, "herg": 0.05, "dili": 0.199}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.735823853816982, "aff_pf": 0.7383830348650614, "aff_hs": 0.6760652860005697, "repeats_pf": {"runs": 3, "values": [0.7994, 0.697, 0.7187], "mean": 0.7384, "spread": 0.1024}, "repeats_hs": {"runs": 3, "values": [0.7538, 0.7555, 0.519], "mean": 0.6761, "spread": 0.2365}, "at": 1787427320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425291, "scored_at": 1787427320, "alerts": [], "rank": 3997}, {"candidate_id": "ODC-0BD30F", "res_at": 1787437425, "skeleton": "AJGHKPZLANWUDO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 30.446, "axes": {"activity": 14.36, "binding": 7.74, "selectivity": 0.6, "admet": 2.47, "novelty": 2.87, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 6.29, "LE": 0.269, "potency_term": 0.431, "efficiency_cap": 0.898}, "selectivity": {"fold": 1.4, "selectivity_term": 0.07, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 0.581, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.826, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.416, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.08}}, "run": {"gpu": "3", "pAct_q10": 5.461755502360111, "aff_pf": -0.2930580551425616, "aff_hs": -0.15361695488293967, "repeats_pf": {"runs": 3, "values": [-0.5255, -0.3931, 0.0394], "mean": -0.2931, "spread": 0.565}, "repeats_hs": {"runs": 3, "values": [-0.1977, -0.1363, -0.1268], "mean": -0.1536, "spread": 0.0709}, "at": 1787437425}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436342, "scored_at": 1787437425, "alerts": [], "rank": 3998}, {"candidate_id": "ODC-23B343", "res_at": 1789367017, "skeleton": "WSGPIIWPRSWEOE", "hf_user": "Bio-JS", "display_name": "0914-S1-div28", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 30.438, "axes": {"activity": 16.95, "binding": 3.83, "selectivity": 0.3, "admet": 3.49, "novelty": 3.56, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.617, "fraction": 0.565}, "binding": {"pIC50": 5.57, "LE": 0.305, "potency_term": 0.191, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.079, "target_engagement": 0.191}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.221, "cyp3a4-substrate-carbonmangels": 0.147, "ld50-zhu": 0.482, "herg": 0.185, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.616999814201211, "aff_pf": 0.4259939988454183, "aff_hs": 0.5841601292292277, "repeats_pf": {"runs": 3, "values": [0.4586, 0.3867, 0.4327], "mean": 0.426, "spread": 0.072}, "repeats_hs": {"runs": 3, "values": [0.4223, 0.6233, 0.7068], "mean": 0.5842, "spread": 0.2845}, "at": 1789367017}, "tier": 1, "alerts": [], "total_sd": 0.202, "total_ci95": [30.048, 30.847], "relegate_reason": [], "submitted_at": 1789346192, "scored_at": 1789367017, "rank": 3999}, {"candidate_id": "ODC-F40031", "res_at": 1786858660, "skeleton": "JOWFBAKGYDYJQT", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.429, "axes": {"activity": 14.51, "binding": 6.87, "selectivity": 1.98, "admet": 3.85, "novelty": 1.25, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 6.03, "LE": 0.318, "potency_term": 0.344, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.344}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.371, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.498, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.741, "novelty": 0.259}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.470628190368933, "aff_pf": -0.030712880194187164, "aff_hs": 0.5470042526721954, "repeats_pf": {"runs": 3, "values": [-0.0741, -0.0007, -0.0173], "mean": -0.0307, "spread": 0.0734}, "repeats_hs": {"runs": 3, "values": [0.6543, 0.4623, 0.5244], "mean": 0.547, "spread": 0.192}, "at": 1786858660}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850263, "scored_at": 1786858660, "alerts": [], "rank": 4000}, {"candidate_id": "ODC-AEAAEC", "res_at": 1787376484, "skeleton": "PHVMXCMOLLXVMT", "hf_user": "1Dmeds", "display_name": "ODC26-G10", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 30.42, "axes": {"activity": 16.94, "binding": 4.21, "selectivity": 0.5, "admet": 2.29, "novelty": 3.89, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.616, "fraction": 0.565}, "binding": {"pIC50": 5.81, "LE": 0.234, "potency_term": 0.27, "efficiency_cap": 0.78}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.785, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.858, "herg": 0.05, "dili": 0.436}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.616353212077494, "aff_pf": 0.19080033898353577, "aff_hs": 0.37744738658269245, "repeats_pf": {"runs": 3, "values": [0.4196, -0.2197, 0.3724], "mean": 0.1908, "spread": 0.6393}, "repeats_hs": {"runs": 3, "values": [0.2117, 0.4771, 0.4435], "mean": 0.3774, "spread": 0.2654}, "at": 1787376484}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372706, "scored_at": 1787376484, "alerts": [], "rank": 4001}, {"candidate_id": "ODC-CBC701", "res_at": 1786862234, "skeleton": "QWXTVVHOXKQFIT", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 30.406, "axes": {"activity": 1.34, "binding": 13.28, "selectivity": 4.51, "admet": 4.22, "novelty": 4.35, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 4.681, "fraction": 0.045}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.32, "ld50-zhu": 0.332, "herg": 0.388, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 4.680636452698613, "aff_pf": -0.9923860828081766, "aff_hs": -0.31342283884684247, "repeats_pf": {"runs": 3, "values": [-0.9783, -1.0512, -0.9477], "mean": -0.9924, "spread": 0.1036}, "repeats_hs": {"runs": 3, "values": [-0.3797, -0.2998, -0.2607], "mean": -0.3134, "spread": 0.119}, "at": 1786862234}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855388, "scored_at": 1786862234, "alerts": [], "rank": 4002}, {"candidate_id": "ODC-272BB2", "res_at": 1787229030, "skeleton": "KJJJMSNSVDLJKA", "hf_user": "takutoyo", "display_name": "PfD10-10", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccc··········23)c1", "total": 30.4, "axes": {"activity": 18.03, "binding": 3.26, "selectivity": 0.0, "admet": 2.55, "novelty": 3.55, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.682, "fraction": 0.601}, "binding": {"pIC50": 5.52, "LE": 0.28, "potency_term": 0.175, "efficiency_cap": 0.934}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.655, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.871, "ld50-zhu": 0.247, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 5.682099733138921, "aff_pf": 0.4762181341648102, "aff_hs": 0.44084330399831134, "repeats_pf": {"runs": 3, "values": [0.4119, 0.4708, 0.546], "mean": 0.4762, "spread": 0.1341}, "repeats_hs": {"runs": 3, "values": [0.484, 0.3415, 0.4971], "mean": 0.4408, "spread": 0.1556}, "at": 1787229030}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227258, "scored_at": 1787229030, "alerts": [], "rank": 4003}, {"candidate_id": "ODC-1EA873", "res_at": 1788905983, "skeleton": "QNFGELUGLAXBIK", "hf_user": "Bio-JS", "display_name": "0909-S1-14", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········)n2n1", "total": 30.394, "axes": {"activity": 12.38, "binding": 8.93, "selectivity": 1.47, "admet": 3.3, "novelty": 2.41, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 6.34, "LE": 0.347, "potency_term": 0.447, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.489, "cyp3a4-substrate-carbonmangels": 0.177, "ld50-zhu": 0.506, "herg": 0.315, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.342616984905237, "aff_pf": -0.339603066444397, "aff_hs": -0.011190759638945261, "repeats_pf": {"runs": 3, "values": [-0.2945, -0.3276, -0.3968], "mean": -0.3396, "spread": 0.1023}, "repeats_hs": {"runs": 3, "values": [0.0254, -0.0352, -0.0238], "mean": -0.0112, "spread": 0.0606}, "at": 1788905983}, "tier": 1, "alerts": [], "total_sd": 0.422, "total_ci95": [29.592, 31.335], "relegate_reason": [], "submitted_at": 1788902786, "scored_at": 1788905983, "rank": 4004}, {"candidate_id": "ODC-E274F8", "res_at": 1789216749, "skeleton": "UKBQIWNMSWUDQQ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1c(··········F)c1I", "total": 30.39, "axes": {"activity": 16.38, "binding": 3.4, "selectivity": 1.0, "admet": 3.52, "novelty": 4.03, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.583, "fraction": 0.546}, "binding": {"pIC50": 5.53, "LE": 0.291, "potency_term": 0.175, "efficiency_cap": 0.971}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.491, "herg": 0.05, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.582954843808853, "aff_pf": 0.47402725120385486, "aff_hs": 1.043920377890269, "repeats_pf": {"runs": 3, "values": [0.7445, -0.0, 0.6776], "mean": 0.474, "spread": 0.7445}, "repeats_hs": {"runs": 3, "values": [1.0704, 1.087, 0.9744], "mean": 1.0439, "spread": 0.1126}, "at": 1789216749}, "tier": 1, "alerts": [], "total_sd": 2.093, "total_ci95": [27.819, 33.37], "relegate_reason": [], "submitted_at": 1789216158, "scored_at": 1789216749, "rank": 4005}, {"candidate_id": "ODC-EFDE3B", "res_at": 1787079712, "skeleton": "GEKPCPFTAURQHE", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(-··········1CCC2", "total": 30.366, "axes": {"activity": 14.04, "binding": 7.35, "selectivity": 1.68, "admet": 1.77, "novelty": 3.44, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.468}, "binding": {"pIC50": 6.33, "LE": 0.248, "potency_term": 0.445, "efficiency_cap": 0.826}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.414, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.324, "cyp3a4-substrate-carbonmangels": 0.237, "ld50-zhu": 0.509, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.4425485315448086, "aff_pf": -0.33364715178807575, "aff_hs": 0.043524292608102165, "repeats_pf": {"runs": 3, "values": [-0.3548, -0.2851, -0.3611], "mean": -0.3336, "spread": 0.076}, "repeats_hs": {"runs": 3, "values": [-0.0691, -0.0277, 0.2273], "mean": 0.0435, "spread": 0.2964}, "at": 1787079712}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067189, "scored_at": 1787079712, "alerts": [], "rank": 4006}, {"candidate_id": "ODC-314EC5", "res_at": 1787352194, "skeleton": "GHHGBISHHLEMDA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 30.337, "axes": {"activity": 14.14, "binding": 5.77, "selectivity": 3.22, "admet": 2.37, "novelty": 2.93, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.471}, "binding": {"pIC50": 6.01, "LE": 0.257, "potency_term": 0.337, "efficiency_cap": 0.858}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 0.995, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.813, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.317, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.448558488776784, "aff_pf": -0.00997292809188366, "aff_hs": 0.9474061330159506, "repeats_pf": {"runs": 3, "values": [0.1414, 0.0288, -0.2001], "mean": -0.01, "spread": 0.3415}, "repeats_hs": {"runs": 3, "values": [0.9687, 0.9929, 0.8805], "mean": 0.9474, "spread": 0.1124}, "at": 1787352194}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347733, "scored_at": 1787352194, "alerts": [], "rank": 4007}, {"candidate_id": "ODC-807E38", "res_at": 1789607252, "skeleton": "UNROQZUNAZRZDJ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCN(N)c··········nc2n1", "total": 30.323, "axes": {"activity": 12.98, "binding": 7.27, "selectivity": 3.28, "admet": 2.75, "novelty": 2.9, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 6.26, "LE": 0.26, "potency_term": 0.42, "efficiency_cap": 0.866}, "selectivity": {"fold": 6.1, "selectivity_term": 0.391, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.32, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.772, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "0", "pAct_q10": 5.378882070453994, "aff_pf": -0.2593572735786438, "aff_hs": 0.5226134856541952, "repeats_pf": {"runs": 3, "values": [-0.1555, -0.2732, -0.3494], "mean": -0.2594, "spread": 0.1939}, "repeats_hs": {"runs": 3, "values": [0.4904, 0.5287, 0.5487], "mean": 0.5226, "spread": 0.0583}, "at": 1789607252}, "tier": 1, "alerts": [], "total_sd": 0.616, "total_ci95": [29.042, 31.565], "relegate_reason": [], "submitted_at": 1789606708, "scored_at": 1789607252, "rank": 4008}, {"candidate_id": "ODC-AEA743", "res_at": 1789302673, "skeleton": "UNNVLDDNWHDWFY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········(F)c1", "total": 30.294, "axes": {"activity": 18.6, "binding": 1.36, "selectivity": 0.0, "admet": 3.29, "novelty": 3.97, "synthesis": 3.08}, "detail": {"activity": {"pAct_q10": 5.716, "fraction": 0.62}, "binding": {"pIC50": 5.31, "LE": 0.197, "potency_term": 0.104, "efficiency_cap": 0.656}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.104}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 0.941, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.69, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 5.716175796990265, "aff_pf": 0.6882068912188212, "aff_hs": 0.35802937547365826, "repeats_pf": {"runs": 3, "values": [0.7079, 0.7024, 0.6544], "mean": 0.6882, "spread": 0.0535}, "repeats_hs": {"runs": 3, "values": [0.4304, 0.3293, 0.3144], "mean": 0.358, "spread": 0.116}, "at": 1789302673}, "tier": 1, "alerts": [], "total_sd": 0.064, "total_ci95": [30.212, 30.451], "relegate_reason": [], "submitted_at": 1789298864, "scored_at": 1789302673, "rank": 4009}, {"candidate_id": "ODC-8836A0", "res_at": 1789556762, "skeleton": "KODSYLMOERBRFF", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········)(F)F", "total": 30.292, "axes": {"activity": 12.9, "binding": 8.13, "selectivity": 2.74, "admet": 2.82, "novelty": 2.52, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 6.31, "LE": 0.279, "potency_term": 0.437, "efficiency_cap": 0.93}, "selectivity": {"fold": 4.2, "selectivity_term": 0.313, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.454, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.472, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.92, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "0", "pAct_q10": 5.373849856259362, "aff_pf": -0.3115324229001999, "aff_hs": 0.31438712279001874, "repeats_pf": {"runs": 3, "values": [-0.1899, -0.3692, -0.3754], "mean": -0.3115, "spread": 0.1855}, "repeats_hs": {"runs": 3, "values": [0.3201, 0.304, 0.319], "mean": 0.3144, "spread": 0.0161}, "at": 1789556762}, "tier": 1, "alerts": [], "total_sd": 0.668, "total_ci95": [28.679, 31.208], "relegate_reason": [], "submitted_at": 1789529799, "scored_at": 1789556762, "rank": 4010}, {"candidate_id": "ODC-128DC3", "res_at": 1787438987, "skeleton": "LDXRRHBZSISCHQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 30.285, "axes": {"activity": 16.02, "binding": 5.58, "selectivity": 0.74, "admet": 2.33, "novelty": 3.67, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 6.03, "LE": 0.243, "potency_term": 0.344, "efficiency_cap": 0.81}, "selectivity": {"fold": 1.6, "selectivity_term": 0.107, "target_engagement": 0.344}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.052, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.84}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.561274960443406, "aff_pf": -0.03313255310058594, "aff_hs": 0.1809884781638781, "repeats_pf": {"runs": 3, "values": [-0.0083, -0.3587, 0.2676], "mean": -0.0331, "spread": 0.6264}, "repeats_hs": {"runs": 3, "values": [0.1002, 0.1686, 0.2742], "mean": 0.181, "spread": 0.1739}, "at": 1787438987}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436431, "scored_at": 1787438987, "alerts": [], "rank": 4011}, {"candidate_id": "ODC-2EFF44", "res_at": 1789565851, "skeleton": "DHLHPJHTVHVCSN", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 30.277, "axes": {"activity": 13.71, "binding": 6.65, "selectivity": 2.43, "admet": 3.2, "novelty": 3.1, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 6.14, "LE": 0.263, "potency_term": 0.379, "efficiency_cap": 0.876}, "selectivity": {"fold": 4.4, "selectivity_term": 0.321, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.399, "hia-hou": 0.906, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.587, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.861, "herg": 0.098, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 4.18}}, "run": {"gpu": "0", "pAct_q10": 5.4224369427457635, "aff_pf": -0.13801240424315134, "aff_hs": 0.503334661324819, "repeats_pf": {"runs": 3, "values": [-0.1728, -0.0989, -0.1424], "mean": -0.138, "spread": 0.074}, "repeats_hs": {"runs": 3, "values": [0.4875, 0.4637, 0.5588], "mean": 0.5033, "spread": 0.0951}, "at": 1789565851}, "tier": 1, "alerts": [], "total_sd": 0.235, "total_ci95": [29.868, 30.719], "relegate_reason": [], "submitted_at": 1789563237, "scored_at": 1789565851, "rank": 4012}, {"candidate_id": "ODC-994858", "res_at": 1789065131, "skeleton": "XYGUURRLFAAAAP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········ccc12", "total": 30.252, "axes": {"activity": 17.53, "binding": 3.99, "selectivity": 0.0, "admet": 2.18, "novelty": 3.69, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.652, "fraction": 0.584}, "binding": {"pIC50": 5.83, "LE": 0.216, "potency_term": 0.277, "efficiency_cap": 0.72}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.388, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.651826024376032, "aff_pf": 0.1686927874883016, "aff_hs": -0.10576043526331584, "repeats_pf": {"runs": 3, "values": [0.3808, 0.3655, -0.2401], "mean": 0.1687, "spread": 0.6209}, "repeats_hs": {"runs": 3, "values": [-0.4192, 0.1545, -0.0526], "mean": -0.1058, "spread": 0.5738}, "at": 1789065131}, "tier": 1, "alerts": [], "total_sd": 1.005, "total_ci95": [29.153, 33.186], "relegate_reason": [], "submitted_at": 1789045877, "scored_at": 1789065131, "rank": 4013}, {"candidate_id": "ODC-4DABAB", "res_at": 1787624235, "skeleton": "OLAVMEZHRABMRC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCOc1··········)(F)F", "total": 30.251, "axes": {"activity": 12.55, "binding": 10.23, "selectivity": 0.0, "admet": 2.86, "novelty": 2.56, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.58, "LE": 0.291, "potency_term": 0.527, "efficiency_cap": 0.97}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.527}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.499, "cyp2c9-veith": 0.113, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.352728732898292, "aff_pf": -0.5822918017705282, "aff_hs": -1.0705768664677937, "repeats_pf": {"runs": 3, "values": [-0.5911, -0.545, -0.6108], "mean": -0.5823, "spread": 0.0658}, "repeats_hs": {"runs": 3, "values": [-1.1006, -1.0495, -1.0617], "mean": -1.0706, "spread": 0.0511}, "at": 1787624235}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620983, "scored_at": 1787624235, "alerts": [], "rank": 4014}, {"candidate_id": "ODC-48B3B3", "res_at": 1787439373, "skeleton": "PNGYQXPOJAVJRJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCNC··········)CCC1", "total": 30.242, "axes": {"activity": 16.33, "binding": 4.75, "selectivity": 0.0, "admet": 2.53, "novelty": 3.92, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.544}, "binding": {"pIC50": 5.92, "LE": 0.232, "potency_term": 0.307, "efficiency_cap": 0.773}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.469}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 5.579516530325146, "aff_pf": 0.07793698956569035, "aff_hs": -0.5769249002138773, "repeats_pf": {"runs": 3, "values": [0.0036, 0.315, -0.0849], "mean": 0.0779, "spread": 0.3999}, "repeats_hs": {"runs": 3, "values": [-0.7613, -0.5741, -0.3953], "mean": -0.5769, "spread": 0.3661}, "at": 1787439373}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436452, "scored_at": 1787439373, "alerts": [], "rank": 4015}, {"candidate_id": "ODC-145A31", "res_at": 1786968432, "skeleton": "YBGNSRVOFXESBX", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 30.237, "axes": {"activity": 11.13, "binding": 12.15, "selectivity": 0.14, "admet": 3.25, "novelty": 1.67, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 6.86, "LE": 0.294, "potency_term": 0.621, "efficiency_cap": 0.979}, "selectivity": {"fold": 1.1, "selectivity_term": 0.011, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.426, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.957, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.726, "novelty": 0.274}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "2", "pAct_q10": 5.267998649556596, "aff_pf": -0.861698587735494, "aff_hs": -0.8393132289250692, "repeats_pf": {"runs": 3, "values": [-0.8892, -0.8604, -0.8355], "mean": -0.8617, "spread": 0.0537}, "repeats_hs": {"runs": 3, "values": [-0.9614, -0.6627, -0.8939], "mean": -0.8393, "spread": 0.2987}, "at": 1786968432}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968251, "scored_at": 1786968432, "alerts": [], "rank": 4016}, {"candidate_id": "ODC-AA99FC", "res_at": 1788965289, "skeleton": "DHMSJGXOASGIQJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.231, "axes": {"activity": 13.02, "binding": 9.65, "selectivity": 0.58, "admet": 2.97, "novelty": 1.88, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 6.45, "LE": 0.34, "potency_term": 0.483, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.483}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.29, "cyp3a4-substrate-carbonmangels": 0.096, "ld50-zhu": 0.577, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.61, "novelty": 0.39}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.381423819717979, "aff_pf": -0.4476511279741923, "aff_hs": -0.3268773555755615, "repeats_pf": {"runs": 3, "values": [-0.3926, -0.4685, -0.4818], "mean": -0.4477, "spread": 0.0892}, "repeats_hs": {"runs": 3, "values": [-0.2765, -0.4175, -0.2867], "mean": -0.3269, "spread": 0.1409}, "at": 1788965289}, "tier": 1, "alerts": [], "total_sd": 0.417, "total_ci95": [29.308, 30.962], "relegate_reason": [], "submitted_at": 1788963352, "scored_at": 1788965289, "rank": 4017}, {"candidate_id": "ODC-2C5692", "res_at": 1787079975, "skeleton": "RMARUZLIHDDNGI", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 30.209, "axes": {"activity": 12.51, "binding": 9.07, "selectivity": 0.01, "admet": 4.04, "novelty": 3.46, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.36, "LE": 0.311, "potency_term": 0.454, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.664, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.98}}, "novelty": {"max_tanimoto": 0.238, "novelty": 0.762}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "2", "pAct_q10": 5.350846722750989, "aff_pf": -0.3611198266347249, "aff_hs": -0.35954150557518005, "repeats_pf": {"runs": 3, "values": [-0.2166, -0.4722, -0.3946], "mean": -0.3611, "spread": 0.2556}, "repeats_hs": {"runs": 3, "values": [-0.375, -0.4355, -0.2681], "mean": -0.3595, "spread": 0.1674}, "at": 1787079975}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068717, "scored_at": 1787079975, "alerts": [], "rank": 4018}, {"candidate_id": "ODC-262D20", "res_at": 1789929642, "skeleton": "MGSSUTPOULDUSE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2c1", "total": 30.198, "axes": {"activity": 13.49, "binding": 5.81, "selectivity": 3.45, "admet": 2.69, "novelty": 2.51, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 5.9, "LE": 0.289, "potency_term": 0.301, "efficiency_cap": 0.963}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.301}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.495, "ld50-zhu": 0.422, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 5.409243543528058, "aff_pf": 0.09555679311354955, "aff_hs": 1.239538550376892, "repeats_pf": {"runs": 3, "values": [0.1764, 0.1191, -0.0088], "mean": 0.0956, "spread": 0.1852}, "repeats_hs": {"runs": 3, "values": [1.3831, 0.842, 1.4936], "mean": 1.2395, "spread": 0.6516}, "at": 1789929642}, "tier": 1, "alerts": [], "total_sd": 0.827, "total_ci95": [28.829, 32.214], "relegate_reason": [], "submitted_at": 1789778651, "scored_at": 1789929642, "rank": 4019}, {"candidate_id": "ODC-B63AEB", "res_at": 1787494478, "skeleton": "GOZZSNIRARNZEL", "hf_user": "takutoyo", "display_name": "PfD15-15", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncn··········)c2n1", "total": 30.196, "axes": {"activity": 15.17, "binding": 7.47, "selectivity": 1.01, "admet": 1.93, "novelty": 2.76, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 6.38, "LE": 0.243, "potency_term": 0.461, "efficiency_cap": 0.81}, "selectivity": {"fold": 1.7, "selectivity_term": 0.109, "target_engagement": 0.461}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.458, "ld50-zhu": 0.843, "herg": 0.059, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.510167115145685, "aff_pf": -0.38296834627787274, "aff_hs": -0.16433047006527582, "repeats_pf": {"runs": 3, "values": [-0.4582, -0.399, -0.2917], "mean": -0.383, "spread": 0.1665}, "repeats_hs": {"runs": 3, "values": [-0.34, 0.0973, -0.2503], "mean": -0.1643, "spread": 0.4372}, "at": 1787494478}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491637, "scored_at": 1787494478, "alerts": [], "rank": 4020}, {"candidate_id": "ODC-8CE024", "res_at": 1786849903, "skeleton": "JFJUCRCCEZMWLJ", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 30.17, "axes": {"activity": 1.09, "binding": 13.06, "selectivity": 9.51, "admet": 3.25, "novelty": 0.0, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 4.195, "fraction": 0.036}, "binding": {"pIC50": 6.96, "LE": 0.381, "potency_term": 0.653, "efficiency_cap": 1.0}, "selectivity": {"fold": 28.5, "selectivity_term": 0.728, "target_engagement": 0.653}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.102, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.507, "cyp3a4-substrate-carbonmangels": 0.631, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.194813580045026, "aff_pf": -0.9594711661338806, "aff_hs": 0.4959121644496918, "repeats_pf": {"runs": 3, "values": [-1.024, -0.8826, -0.9719], "mean": -0.9595, "spread": 0.1414}, "repeats_hs": {"runs": 3, "values": [0.5245, 0.4366, 0.5266], "mean": 0.4959, "spread": 0.09}, "at": 1786849903}, "tier": 1, "relegate_reason": [], "submitted_at": 1786846904, "scored_at": 1786849903, "alerts": [], "rank": 4021}, {"candidate_id": "ODC-C09F45", "res_at": 1789914342, "skeleton": "IOKYYAFCRJVTAT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 30.16, "axes": {"activity": 15.86, "binding": 5.29, "selectivity": 0.0, "admet": 3.2, "novelty": 3.76, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.551, "fraction": 0.529}, "binding": {"pIC50": 6.01, "LE": 0.235, "potency_term": 0.337, "efficiency_cap": 0.784}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 0.862, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.941, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "2", "pAct_q10": 5.551479053023076, "aff_pf": -0.011983349919319153, "aff_hs": -0.20529566705226898, "repeats_pf": {"runs": 3, "values": [-0.1081, 0.0493, 0.0228], "mean": -0.012, "spread": 0.1574}, "repeats_hs": {"runs": 3, "values": [-0.0661, -0.3066, -0.2432], "mean": -0.2053, "spread": 0.2404}, "at": 1789914342}, "tier": 1, "alerts": [], "total_sd": 0.235, "total_ci95": [29.789, 30.755], "relegate_reason": [], "submitted_at": 1789863591, "scored_at": 1789914342, "rank": 4022}, {"candidate_id": "ODC-770A3E", "res_at": 1788086513, "skeleton": "ZMCBOSIZAZTARY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.131, "axes": {"activity": 9.13, "binding": 9.87, "selectivity": 3.91, "admet": 3.4, "novelty": 1.53, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 6.48, "LE": 0.37, "potency_term": 0.494, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.396, "target_engagement": 0.494}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.653, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.528, "herg": 0.102, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.691, "novelty": 0.309}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.147736563763015, "aff_pf": -0.481244554122289, "aff_hs": 0.31118305524190265, "repeats_pf": {"runs": 3, "values": [-0.5423, -0.5093, -0.3921], "mean": -0.4812, "spread": 0.1501}, "repeats_hs": {"runs": 3, "values": [0.3193, 0.4829, 0.1313], "mean": 0.3112, "spread": 0.3515}, "at": 1788086513}, "tier": 1, "alerts": [], "total_sd": 0.852, "total_ci95": [28.324, 31.694], "relegate_reason": [], "submitted_at": 1788078768, "scored_at": 1788086513, "rank": 4023}, {"candidate_id": "ODC-B8A616", "res_at": 1789524013, "skeleton": "WTFVBDGECVFQRM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CNN(C)c··········nc2n1", "total": 30.123, "axes": {"activity": 12.62, "binding": 8.4, "selectivity": 2.92, "admet": 2.93, "novelty": 2.04, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.421}, "binding": {"pIC50": 6.35, "LE": 0.281, "potency_term": 0.449, "efficiency_cap": 0.935}, "selectivity": {"fold": 4.5, "selectivity_term": 0.326, "target_engagement": 0.449}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.809, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.848, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.515, "novelty": 0.485}, "synthesis": {"sa_score": 3.99}}, "run": {"gpu": "0", "pAct_q10": 5.357012884615024, "aff_pf": -0.3475070893764496, "aff_hs": 0.30359171082576114, "repeats_pf": {"runs": 3, "values": [-0.4229, -0.2555, -0.3641], "mean": -0.3475, "spread": 0.1674}, "repeats_hs": {"runs": 3, "values": [0.3899, 0.0823, 0.4386], "mean": 0.3036, "spread": 0.3563}, "at": 1789524013}, "tier": 1, "alerts": [], "total_sd": 0.773, "total_ci95": [28.901, 31.713], "relegate_reason": [], "submitted_at": 1789522317, "scored_at": 1789524013, "rank": 4024}, {"candidate_id": "ODC-D52134", "res_at": 1789943834, "skeleton": "XHHDKKHGSQDNBI", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.123, "axes": {"activity": 12.67, "binding": 8.85, "selectivity": 2.25, "admet": 3.07, "novelty": 1.58, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.36, "fraction": 0.422}, "binding": {"pIC50": 6.33, "LE": 0.361, "potency_term": 0.442, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.255, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.559, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.27, "herg": 0.455, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.643, "novelty": 0.357}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "2", "pAct_q10": 5.360392197058464, "aff_pf": -0.3274511670072873, "aff_hs": 0.18201583872238794, "repeats_pf": {"runs": 3, "values": [-0.4892, -0.0496, -0.4436], "mean": -0.3275, "spread": 0.4396}, "repeats_hs": {"runs": 3, "values": [-0.036, 0.3611, 0.2209], "mean": 0.182, "spread": 0.3971}, "at": 1789943834}, "tier": 1, "alerts": [], "total_sd": 1.781, "total_ci95": [26.702, 33.359], "relegate_reason": [], "submitted_at": 1789828761, "scored_at": 1789943834, "rank": 4025}, {"candidate_id": "ODC-98D29A", "res_at": 1790001593, "skeleton": "IJWUYIVSVLCEPI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 30.123, "axes": {"activity": 18.29, "binding": 1.86, "selectivity": 0.0, "admet": 3.33, "novelty": 4.09, "synthesis": 2.56}, "detail": {"activity": {"pAct_q10": 5.697, "fraction": 0.61}, "binding": {"pIC50": 5.37, "LE": 0.223, "potency_term": 0.125, "efficiency_cap": 0.744}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.125}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.467, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.99, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.6972544199893465, "aff_pf": 0.6256978710492452, "aff_hs": 0.04923097292582194, "repeats_pf": {"runs": 3, "values": [0.5692, 0.7114, 0.5965], "mean": 0.6257, "spread": 0.1422}, "repeats_hs": {"runs": 3, "values": [0.0087, 0.0251, 0.1139], "mean": 0.0492, "spread": 0.1052}, "at": 1790001593}, "tier": 1, "alerts": [], "total_sd": 0.185, "total_ci95": [29.873, 30.425], "relegate_reason": [], "submitted_at": 1789993201, "scored_at": 1790001593, "rank": 4026}, {"candidate_id": "ODC-64970A", "res_at": 1786855129, "skeleton": "DVCYVKLKWJCSOJ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "OpenAI GPT-5.6 Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 30.122, "axes": {"activity": 13.79, "binding": 6.55, "selectivity": 1.59, "admet": 3.88, "novelty": 2.42, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.46}, "binding": {"pIC50": 5.98, "LE": 0.342, "potency_term": 0.328, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.775, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.704, "herg": 0.437, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.427467713849551, "aff_pf": 0.017096663514773052, "aff_hs": 0.5015643437703451, "repeats_pf": {"runs": 3, "values": [-0.1187, 0.1657, 0.0043], "mean": 0.0171, "spread": 0.2843}, "repeats_hs": {"runs": 3, "values": [0.4461, 0.5185, 0.54], "mean": 0.5016, "spread": 0.0939}, "at": 1786855129}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847754, "scored_at": 1786855129, "alerts": [], "rank": 4027}, {"candidate_id": "ODC-DA9495", "res_at": 1789491327, "skeleton": "UURZHWLHVIOPMK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNS(=O)··········F)c1F", "total": 30.12, "axes": {"activity": 2.35, "binding": 13.69, "selectivity": 0.7, "admet": 4.83, "novelty": 5.17, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 4.503, "fraction": 0.078}, "binding": {"pIC50": 7.05, "LE": 0.386, "potency_term": 0.684, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.684}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.851, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.587, "herg": 0.119, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 4.503153191589641, "aff_pf": -1.0528991222381592, "aff_hs": -0.9503457546234131, "repeats_pf": {"runs": 3, "values": [-1.0488, -1.0174, -1.0926], "mean": -1.0529, "spread": 0.0752}, "repeats_hs": {"runs": 3, "values": [-1.0315, -0.7729, -1.0466], "mean": -0.9503, "spread": 0.2736}, "at": 1789491327}, "tier": 1, "alerts": [], "total_sd": 0.598, "total_ci95": [29.226, 31.554], "relegate_reason": [], "submitted_at": 1789490728, "scored_at": 1789491327, "rank": 4028}, {"candidate_id": "ODC-A0C9F8", "res_at": 1786853463, "skeleton": "HTJNFNSXFWDSJF", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2c1", "total": 30.106, "axes": {"activity": 3.83, "binding": 10.8, "selectivity": 7.15, "admet": 3.19, "novelty": 2.66, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 4.83, "fraction": 0.128}, "binding": {"pIC50": 6.62, "LE": 0.394, "potency_term": 0.54, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.1, "selectivity_term": 0.662, "target_engagement": 0.54}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.287, "ld50-zhu": 0.314, "herg": 0.465, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 4.829977171530981, "aff_pf": -0.6196687420209249, "aff_hs": 0.7052546342213949, "repeats_pf": {"runs": 3, "values": [-0.6599, -0.6125, -0.5867], "mean": -0.6197, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [0.7342, 0.6538, 0.7277], "mean": 0.7053, "spread": 0.0804}, "at": 1786853463}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847557, "scored_at": 1786853463, "alerts": [], "rank": 4029}, {"candidate_id": "ODC-43CEC4", "res_at": 1789037442, "skeleton": "LXUWPQLAGGZRAK", "hf_user": "trblnfxn", "display_name": "NC-FACT-05_H_H", "model_name": "Hermes-Factorial-v3", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 30.102, "axes": {"activity": 4.8, "binding": 10.14, "selectivity": 5.48, "admet": 4.78, "novelty": 2.44, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 4.888, "fraction": 0.16}, "binding": {"pIC50": 6.52, "LE": 0.425, "potency_term": 0.507, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.0, "selectivity_term": 0.54, "target_engagement": 0.507}, "admet": {"geometric_mean": 0.629, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 0.683, "ld50-zhu": 0.516, "herg": 0.788, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 4.887929887532544, "aff_pf": -0.5212376117706299, "aff_hs": 0.5587976376215616, "repeats_pf": {"runs": 3, "values": [-0.5013, -0.5135, -0.5489], "mean": -0.5212, "spread": 0.0476}, "repeats_hs": {"runs": 3, "values": [0.5468, 0.5806, 0.549], "mean": 0.5588, "spread": 0.0339}, "at": 1789037442}, "tier": 1, "alerts": [], "total_sd": 0.256, "total_ci95": [29.702, 30.651], "relegate_reason": [], "submitted_at": 1789035174, "scored_at": 1789037442, "rank": 4030}, {"candidate_id": "ODC-677353", "res_at": 1787216136, "skeleton": "XOWJPDDYMUXRJT", "hf_user": "hansu99", "display_name": "R0K", "model_name": "Qmdlt1", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 30.089, "axes": {"activity": 12.86, "binding": 8.51, "selectivity": 3.84, "admet": 2.78, "novelty": 0.8, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 6.36, "LE": 0.281, "potency_term": 0.454, "efficiency_cap": 0.937}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.465, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.128, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.814, "novelty": 0.186}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "3", "pAct_q10": 5.371567657359381, "aff_pf": -0.36197715004285175, "aff_hs": 0.48437849680582684, "repeats_pf": {"runs": 3, "values": [-0.3667, -0.4032, -0.316], "mean": -0.362, "spread": 0.0872}, "repeats_hs": {"runs": 3, "values": [0.4665, 0.4006, 0.586], "mean": 0.4844, "spread": 0.1854}, "at": 1787216136}, "tier": 1, "relegate_reason": [], "submitted_at": 1787215467, "scored_at": 1787216136, "alerts": [], "rank": 4031}, {"candidate_id": "ODC-DE13B2", "res_at": 1789617752, "skeleton": "LUPOAVIVFBOREQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 30.079, "axes": {"activity": 14.75, "binding": 6.67, "selectivity": 1.01, "admet": 3.39, "novelty": 2.94, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.492}, "binding": {"pIC50": 6.11, "LE": 0.27, "potency_term": 0.37, "efficiency_cap": 0.9}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.351, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 4.12}}, "run": {"gpu": "0", "pAct_q10": 5.484868562734987, "aff_pf": -0.11146388451258342, "aff_hs": 0.16165595750013986, "repeats_pf": {"runs": 3, "values": [-0.152, -0.1116, -0.0708], "mean": -0.1115, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [-0.0339, 0.2666, 0.2523], "mean": 0.1617, "spread": 0.3006}, "at": 1789617752}, "tier": 1, "alerts": [], "total_sd": 0.358, "total_ci95": [29.355, 30.798], "relegate_reason": [], "submitted_at": 1789617553, "scored_at": 1789617752, "rank": 4032}, {"candidate_id": "ODC-57A011", "res_at": 1787620136, "skeleton": "YDLJDLIMWIUGMW", "hf_user": "Bio-JS", "display_name": "아닐린 4차: 4-메틸옥사졸리딘-2-온-4-일 (아마이드+고리 산소)", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 30.078, "axes": {"activity": 17.91, "binding": 2.94, "selectivity": 0.11, "admet": 2.92, "novelty": 4.15, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.675, "fraction": 0.597}, "binding": {"pIC50": 5.65, "LE": 0.204, "potency_term": 0.216, "efficiency_cap": 0.679}, "selectivity": {"fold": 1.1, "selectivity_term": 0.026, "target_engagement": 0.216}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.411, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.386, "herg": 0.05, "dili": 0.271}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.6745519184034325, "aff_pf": 0.3510010838508606, "aff_hs": 0.403851439555486, "repeats_pf": {"runs": 3, "values": [0.2829, 0.4787, 0.2914], "mean": 0.351, "spread": 0.1958}, "repeats_hs": {"runs": 3, "values": [0.3675, 0.4098, 0.4343], "mean": 0.4039, "spread": 0.0669}, "at": 1787620136}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618659, "scored_at": 1787620136, "alerts": [], "rank": 4033}, {"candidate_id": "ODC-B81EC2", "res_at": 1789337365, "skeleton": "LDZAFJXCACEQNP", "hf_user": "trblnfxn", "display_name": "NOVEL-SpiroIndanePiperidine", "model_name": "Hermes-Novel-v1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········)cc12", "total": 30.071, "axes": {"activity": 15.44, "binding": 5.25, "selectivity": 0.28, "admet": 3.62, "novelty": 3.35, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.526, "fraction": 0.515}, "binding": {"pIC50": 5.85, "LE": 0.277, "potency_term": 0.285, "efficiency_cap": 0.922}, "selectivity": {"fold": 1.3, "selectivity_term": 0.048, "target_engagement": 0.285}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.29, "cyp2c9-veith": 0.752, "cyp3a4-substrate-carbonmangels": 0.534, "ld50-zhu": 0.777, "herg": 0.05, "dili": 0.312}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.526106375114732, "aff_pf": 0.14627512296040854, "aff_hs": 0.24320784211158752, "repeats_pf": {"runs": 3, "values": [0.2386, 0.0824, 0.1179], "mean": 0.1463, "spread": 0.1562}, "repeats_hs": {"runs": 3, "values": [-0.0012, 0.6324, 0.0984], "mean": 0.2432, "spread": 0.6336}, "at": 1789337365}, "tier": 1, "alerts": [], "total_sd": 0.515, "total_ci95": [29.432, 31.315], "relegate_reason": [], "submitted_at": 1789328190, "scored_at": 1789337365, "rank": 4034}, {"candidate_id": "ODC-2E605B", "res_at": 1787412893, "skeleton": "DCKXIVMBQYQTLU", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "CCCCCNc1cc(-c2ccccc2)ccc1-c1cnc2c(-c3ccc(C(C)(C)C#N)cc3)c(C)nnc2c1", "smiles_masked": null, "total": 30.048, "axes": {"activity": 12.97, "binding": 7.8, "selectivity": 2.22, "admet": 2.02, "novelty": 3.09, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 6.56, "LE": 0.225, "potency_term": 0.521, "efficiency_cap": 0.749}, "selectivity": {"fold": 2.7, "selectivity_term": 0.213, "target_engagement": 0.521}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.519, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.703, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.927}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.378240311019546, "aff_pf": -0.5615459283192953, "aff_hs": -0.13543070356051126, "repeats_pf": {"runs": 3, "values": [-0.6306, -0.5198, -0.5342], "mean": -0.5615, "spread": 0.1108}, "repeats_hs": {"runs": 3, "values": [-0.1696, -0.0357, -0.201], "mean": -0.1354, "spread": 0.1653}, "at": 1787412893}, "tier": 1, "relegate_reason": [], "submitted_at": 1787408044, "scored_at": 1787412893, "alerts": [], "rank": 4035}, {"candidate_id": "ODC-6CB4E7", "res_at": 1789957472, "skeleton": "FZMAFVUMHPAKER", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 30.046, "axes": {"activity": 15.8, "binding": 4.85, "selectivity": 0.0, "admet": 3.63, "novelty": 3.57, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.548, "fraction": 0.527}, "binding": {"pIC50": 5.98, "LE": 0.222, "potency_term": 0.328, "efficiency_cap": 0.739}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.55, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.966, "cyp3a4-substrate-carbonmangels": 0.085, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.389}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.548198227093267, "aff_pf": 0.015926390886306763, "aff_hs": -0.33132999142011005, "repeats_pf": {"runs": 3, "values": [-0.1061, 0.0936, 0.0603], "mean": 0.0159, "spread": 0.1997}, "repeats_hs": {"runs": 3, "values": [-0.3215, -0.3826, -0.2899], "mean": -0.3313, "spread": 0.0927}, "at": 1789957472}, "tier": 1, "alerts": [], "total_sd": 0.293, "total_ci95": [29.606, 30.758], "relegate_reason": [], "submitted_at": 1789863657, "scored_at": 1789957472, "rank": 4036}, {"candidate_id": "ODC-8703ED", "res_at": 1787367098, "skeleton": "AAMLZTBOGCDFKH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 30.02, "axes": {"activity": 14.83, "binding": 5.84, "selectivity": 0.21, "admet": 3.78, "novelty": 3.59, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.494}, "binding": {"pIC50": 5.94, "LE": 0.28, "potency_term": 0.312, "efficiency_cap": 0.935}, "selectivity": {"fold": 1.2, "selectivity_term": 0.033, "target_engagement": 0.312}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.392, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.397, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.729, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.489590986444574, "aff_pf": 0.063641756772995, "aff_hs": 0.1299424096941948, "repeats_pf": {"runs": 3, "values": [0.1067, 0.2136, -0.1294], "mean": 0.0636, "spread": 0.343}, "repeats_hs": {"runs": 3, "values": [0.0709, 0.1788, 0.1402], "mean": 0.1299, "spread": 0.1079}, "at": 1787367098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364703, "scored_at": 1787367098, "alerts": [], "rank": 4037}, {"candidate_id": "ODC-22BE5E", "res_at": 1787260166, "skeleton": "FHXDXMHLCMXGIW", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 30.014, "axes": {"activity": 14.57, "binding": 6.72, "selectivity": 1.54, "admet": 1.91, "novelty": 3.09, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.474, "fraction": 0.486}, "binding": {"pIC50": 6.27, "LE": 0.239, "potency_term": 0.422, "efficiency_cap": 0.795}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.474316950230557, "aff_pf": -0.267314816514651, "aff_hs": 0.0968514159321785, "repeats_pf": {"runs": 3, "values": [-0.2509, -0.1854, -0.3656], "mean": -0.2673, "spread": 0.1803}, "repeats_hs": {"runs": 3, "values": [0.0997, 0.0918, 0.0991], "mean": 0.0969, "spread": 0.0079}, "at": 1787260166}, "tier": 1, "relegate_reason": [], "submitted_at": 1787259958, "scored_at": 1787260166, "alerts": [], "rank": 4038}, {"candidate_id": "ODC-8F27CA", "res_at": 1789066642, "skeleton": "MBPPYNKVAMDTTA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········ccc12", "total": 30.013, "axes": {"activity": 14.62, "binding": 7.0, "selectivity": 0.85, "admet": 2.09, "novelty": 3.16, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 6.34, "LE": 0.235, "potency_term": 0.447, "efficiency_cap": 0.783}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.06, "ld50-zhu": 0.753, "herg": 0.05, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.477378600183471, "aff_pf": -0.3407522439956665, "aff_hs": -0.15099819004535675, "repeats_pf": {"runs": 3, "values": [-0.3108, -0.2555, -0.4559], "mean": -0.3408, "spread": 0.2004}, "repeats_hs": {"runs": 3, "values": [-0.1512, -0.1014, -0.2004], "mean": -0.151, "spread": 0.0989}, "at": 1789066642}, "tier": 1, "alerts": [], "total_sd": 0.549, "total_ci95": [29.069, 31.303], "relegate_reason": [], "submitted_at": 1789045891, "scored_at": 1789066642, "rank": 4039}, {"candidate_id": "ODC-814C47", "res_at": 1789946782, "skeleton": "OYIWOLDEGYUWKG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 30.006, "axes": {"activity": 11.2, "binding": 8.61, "selectivity": 4.01, "admet": 2.71, "novelty": 1.35, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.272, "fraction": 0.373}, "binding": {"pIC50": 6.29, "LE": 0.375, "potency_term": 0.431, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.5, "selectivity_term": 0.465, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.852, "cyp2c9-veith": 0.424, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.367, "herg": 0.179, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.686, "novelty": 0.314}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 5.272133225310132, "aff_pf": -0.29208163420359295, "aff_hs": 0.638109544912974, "repeats_pf": {"runs": 3, "values": [-0.3214, -0.2822, -0.2727], "mean": -0.2921, "spread": 0.0486}, "repeats_hs": {"runs": 3, "values": [0.553, 0.626, 0.7354], "mean": 0.6381, "spread": 0.1824}, "at": 1789946782}, "tier": 1, "alerts": [], "total_sd": 0.29, "total_ci95": [29.501, 30.578], "relegate_reason": [], "submitted_at": 1789829689, "scored_at": 1789946782, "rank": 4040}, {"candidate_id": "ODC-0DCA6E", "res_at": 1786964321, "skeleton": "BSTIXIDLXHMRAX", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········2)cn1", "total": 29.986, "axes": {"activity": 13.81, "binding": 7.27, "selectivity": 0.47, "admet": 3.61, "novelty": 2.97, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.429, "fraction": 0.46}, "binding": {"pIC50": 6.09, "LE": 0.309, "potency_term": 0.363, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.785, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.306, "ld50-zhu": 0.709, "herg": 0.575, "dili": 0.26}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.4285850150172585, "aff_pf": -0.08978082860509555, "aff_hs": 0.03908672680457433, "repeats_pf": {"runs": 3, "values": [-0.2155, -0.0665, 0.0127], "mean": -0.0898, "spread": 0.2281}, "repeats_hs": {"runs": 3, "values": [-0.0221, 0.0214, 0.118], "mean": 0.0391, "spread": 0.1401}, "at": 1786964321}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963421, "scored_at": 1786964321, "alerts": [], "rank": 4041}, {"candidate_id": "ODC-65E36B", "res_at": 1790002590, "skeleton": "KYKRTTCGYJMCJH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 29.974, "axes": {"activity": 19.58, "binding": 0.24, "selectivity": 0.0, "admet": 2.75, "novelty": 4.62, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.775, "fraction": 0.653}, "binding": {"pIC50": 4.37, "LE": 0.176, "potency_term": 0.021, "efficiency_cap": 0.587}, "selectivity": {"fold": 0.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.182, "ld50-zhu": 0.717, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.7745559195809735, "aff_pf": 1.629366119702657, "aff_hs": 0.10781620939572652, "repeats_pf": {"runs": 3, "values": [1.6046, 1.5932, 1.6903], "mean": 1.6294, "spread": 0.0972}, "repeats_hs": {"runs": 3, "values": [0.0505, 0.0669, 0.206], "mean": 0.1078, "spread": 0.1555}, "at": 1790002590}, "tier": 1, "alerts": [], "total_sd": 0.017, "total_ci95": [29.936, 29.999], "relegate_reason": [], "submitted_at": 1789993298, "scored_at": 1790002590, "rank": 4042}, {"candidate_id": "ODC-F92DB3", "res_at": 1788530161, "skeleton": "BEGOPDNULPPLKN", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)F)c1", "total": 29.965, "axes": {"activity": 16.41, "binding": 5.61, "selectivity": 0.0, "admet": 2.19, "novelty": 3.31, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.584, "fraction": 0.547}, "binding": {"pIC50": 5.98, "LE": 0.256, "potency_term": 0.328, "efficiency_cap": 0.854}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.718, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.584447940738759, "aff_pf": 0.01550511767466863, "aff_hs": -0.3308149178822835, "repeats_pf": {"runs": 3, "values": [-0.1619, 0.2606, -0.0522], "mean": 0.0155, "spread": 0.4226}, "repeats_hs": {"runs": 3, "values": [-0.3173, -0.2913, -0.3839], "mean": -0.3308, "spread": 0.0926}, "at": 1788530161}, "tier": 1, "alerts": [], "total_sd": 0.698, "total_ci95": [28.397, 31.171], "relegate_reason": [], "submitted_at": 1788489421, "scored_at": 1788530161, "rank": 4043}, {"candidate_id": "ODC-982CB4", "res_at": 1787318309, "skeleton": "ONOKSUWYOSATPP", "hf_user": "takutoyo", "display_name": "PfD12-15", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 29.953, "axes": {"activity": 18.75, "binding": 2.78, "selectivity": 0.0, "admet": 2.35, "novelty": 3.83, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.725, "fraction": 0.625}, "binding": {"pIC50": 5.56, "LE": 0.224, "potency_term": 0.186, "efficiency_cap": 0.747}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.186}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.521, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.725154274569425, "aff_pf": 0.4416687687238057, "aff_hs": 0.4229680895805359, "repeats_pf": {"runs": 3, "values": [0.8109, 0.7709, -0.2568], "mean": 0.4417, "spread": 1.0677}, "repeats_hs": {"runs": 3, "values": [0.4552, 0.4605, 0.3532], "mean": 0.423, "spread": 0.1073}, "at": 1787318309}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315853, "scored_at": 1787318309, "alerts": [], "rank": 4044}, {"candidate_id": "ODC-98E4A3", "res_at": 1787258665, "skeleton": "PBEXYOGZAPYHRS", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-Q02", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNCc··········cncc1", "total": 29.944, "axes": {"activity": 18.8, "binding": 0.32, "selectivity": 0.0, "admet": 3.64, "novelty": 4.31, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.728, "fraction": 0.627}, "binding": {"pIC50": 4.46, "LE": 0.185, "potency_term": 0.026, "efficiency_cap": 0.617}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.361, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.08, "ld50-zhu": 0.594, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.728014387316141, "aff_pf": 1.5413816372553508, "aff_hs": 1.123782793680827, "repeats_pf": {"runs": 3, "values": [1.4422, 1.5673, 1.6146], "mean": 1.5414, "spread": 0.1724}, "repeats_hs": {"runs": 3, "values": [1.2413, 1.14, 0.9901], "mean": 1.1238, "spread": 0.2512}, "at": 1787258665}, "tier": 1, "relegate_reason": [], "submitted_at": 1787258457, "scored_at": 1787258665, "alerts": [], "rank": 4045}, {"candidate_id": "ODC-3370A0", "res_at": 1789434230, "skeleton": "SLDMCQKHEYRESE", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)(F)F", "total": 29.941, "axes": {"activity": 10.57, "binding": 9.67, "selectivity": 2.9, "admet": 2.87, "novelty": 2.52, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.234, "fraction": 0.352}, "binding": {"pIC50": 6.51, "LE": 0.288, "potency_term": 0.504, "efficiency_cap": 0.959}, "selectivity": {"fold": 3.8, "selectivity_term": 0.287, "target_engagement": 0.504}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.2, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.867, "ld50-zhu": 0.928, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.478, "novelty": 0.522}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "0", "pAct_q10": 5.233901137013219, "aff_pf": -0.5114075044790903, "aff_hs": 0.0632910281419754, "repeats_pf": {"runs": 3, "values": [-0.6165, -0.5989, -0.3189], "mean": -0.5114, "spread": 0.2975}, "repeats_hs": {"runs": 3, "values": [0.0488, 0.0479, 0.0932], "mean": 0.0633, "spread": 0.0453}, "at": 1789434230}, "tier": 1, "alerts": [], "total_sd": 1.521, "total_ci95": [26.268, 32.139], "relegate_reason": [], "submitted_at": 1789434049, "scored_at": 1789434230, "rank": 4046}, {"candidate_id": "ODC-65EFAC", "res_at": 1789068830, "skeleton": "NXBBNOSKBZKFHW", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········ccc12", "total": 29.918, "axes": {"activity": 15.79, "binding": 5.62, "selectivity": 0.64, "admet": 2.28, "novelty": 3.26, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.547, "fraction": 0.526}, "binding": {"pIC50": 6.09, "LE": 0.232, "potency_term": 0.364, "efficiency_cap": 0.773}, "selectivity": {"fold": 1.5, "selectivity_term": 0.088, "target_engagement": 0.364}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.553, "herg": 0.166, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.547389066740486, "aff_pf": -0.09154043594996135, "aff_hs": 0.08441389352083206, "repeats_pf": {"runs": 3, "values": [-0.3438, -0.2724, 0.3415], "mean": -0.0915, "spread": 0.6853}, "repeats_hs": {"runs": 3, "values": [0.1053, 0.1017, 0.0462], "mean": 0.0844, "spread": 0.0592}, "at": 1789068830}, "tier": 1, "alerts": [], "total_sd": 1.711, "total_ci95": [27.934, 32.787], "relegate_reason": [], "submitted_at": 1789045913, "scored_at": 1789068830, "rank": 4047}, {"candidate_id": "ODC-2F6A99", "res_at": 1786861612, "skeleton": "DNVKTFOUUWPSKB", "hf_user": "ALEX32321", "display_name": "ALEXAI-DOM-A3-CoreCl-PyBrCN", "model_name": "OpenCrab-ALEXAI dominance-first v1.5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.917, "axes": {"activity": 9.84, "binding": 9.88, "selectivity": 1.39, "admet": 3.96, "novelty": 2.87, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 6.48, "LE": 0.404, "potency_term": 0.494, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.14, "target_engagement": 0.494}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.755, "cyp3a4-substrate-carbonmangels": 0.242, "ld50-zhu": 0.463, "herg": 0.49, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.190243985634825, "aff_pf": -0.48140809933344525, "aff_hs": -0.200792466600736, "repeats_pf": {"runs": 3, "values": [-0.5129, -0.4627, -0.4685], "mean": -0.4814, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [-0.242, -0.1152, -0.2452], "mean": -0.2008, "spread": 0.1301}, "at": 1786861612}, "tier": 1, "relegate_reason": [], "submitted_at": 1786852097, "scored_at": 1786861612, "alerts": [], "rank": 4048}, {"candidate_id": "ODC-EAA91B", "res_at": 1787227525, "skeleton": "CMACVHWAAXOCEO", "hf_user": "takutoyo", "display_name": "PfD10-02", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 29.912, "axes": {"activity": 16.8, "binding": 4.14, "selectivity": 0.0, "admet": 2.76, "novelty": 3.76, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.608, "fraction": 0.56}, "binding": {"pIC50": 5.67, "LE": 0.277, "potency_term": 0.224, "efficiency_cap": 0.925}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.224}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.527, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.727, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.591, "herg": 0.126, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.6078951185778125, "aff_pf": 0.3292097250620524, "aff_hs": -0.4596661527951558, "repeats_pf": {"runs": 3, "values": [0.4323, 0.2804, 0.2749], "mean": 0.3292, "spread": 0.1574}, "repeats_hs": {"runs": 3, "values": [-0.8235, -0.4354, -0.12], "mean": -0.4597, "spread": 0.7035}, "at": 1787227525}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227157, "scored_at": 1787227525, "alerts": [], "rank": 4049}, {"candidate_id": "ODC-1F7EDC", "res_at": 1788134500, "skeleton": "LEVTWDJWHSXWMA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.902, "axes": {"activity": 13.93, "binding": 9.0, "selectivity": 0.0, "admet": 2.33, "novelty": 2.77, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.464}, "binding": {"pIC50": 6.43, "LE": 0.284, "potency_term": 0.475, "efficiency_cap": 0.947}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.475}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.61, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.73, "ld50-zhu": 0.763, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.435652815457732, "aff_pf": -0.42565518617630005, "aff_hs": -0.6289621591567993, "repeats_pf": {"runs": 3, "values": [-0.3777, -0.4401, -0.4592], "mean": -0.4257, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [-0.9024, -0.5562, -0.4282], "mean": -0.629, "spread": 0.4742}, "at": 1788134500}, "tier": 1, "alerts": [], "total_sd": 0.165, "total_ci95": [29.535, 30.162], "relegate_reason": [], "submitted_at": 1788132431, "scored_at": 1788134500, "rank": 4050}, {"candidate_id": "ODC-8FF747", "res_at": 1786952181, "skeleton": "JMSNRMWBZRFBQL", "hf_user": "takutoyo", "display_name": "PfD2-A2", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCn1cc··········2c1=O", "total": 29.9, "axes": {"activity": 14.74, "binding": 4.78, "selectivity": 3.7, "admet": 2.76, "novelty": 2.37, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.484, "fraction": 0.491}, "binding": {"pIC50": 5.95, "LE": 0.226, "potency_term": 0.317, "efficiency_cap": 0.755}, "selectivity": {"fold": 14.7, "selectivity_term": 0.584, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 0.833, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.548, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "2", "pAct_q10": 5.484350169883692, "aff_pf": 0.05035932858784994, "aff_hs": 1.2184266646703084, "repeats_pf": {"runs": 3, "values": [-0.1669, 0.2016, 0.1164], "mean": 0.0504, "spread": 0.3684}, "repeats_hs": {"runs": 3, "values": [1.2091, 1.2794, 1.1668], "mean": 1.2184, "spread": 0.1126}, "at": 1786952181}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950130, "scored_at": 1786952181, "alerts": [], "rank": 4051}, {"candidate_id": "ODC-D421EA", "res_at": 1789619186, "skeleton": "BSKHNQYWVKPCSH", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 29.885, "axes": {"activity": 12.33, "binding": 8.24, "selectivity": 2.85, "admet": 2.5, "novelty": 2.9, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 6.4, "LE": 0.266, "potency_term": 0.465, "efficiency_cap": 0.885}, "selectivity": {"fold": 4.1, "selectivity_term": 0.306, "target_engagement": 0.465}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.509, "caco2-wang": 0.143, "hia-hou": 0.703, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.738, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 4.18}}, "run": {"gpu": "0", "pAct_q10": 5.339521280920803, "aff_pf": -0.39625297983487445, "aff_hs": 0.21507751444975534, "repeats_pf": {"runs": 3, "values": [-0.2585, -0.5762, -0.3541], "mean": -0.3963, "spread": 0.3177}, "repeats_hs": {"runs": 3, "values": [0.1428, 0.2289, 0.2735], "mean": 0.2151, "spread": 0.1307}, "at": 1789619186}, "tier": 1, "alerts": [], "total_sd": 1.322, "total_ci95": [28.036, 33.56], "relegate_reason": [], "submitted_at": 1789617728, "scored_at": 1789619186, "rank": 4052}, {"candidate_id": "ODC-D926D5", "res_at": 1788233462, "skeleton": "MXFDGRKOGUVBGU", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········)(F)F", "total": 29.875, "axes": {"activity": 12.73, "binding": 9.35, "selectivity": 0.0, "admet": 2.58, "novelty": 3.28, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.424}, "binding": {"pIC50": 6.4, "LE": 0.325, "potency_term": 0.467, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.567, "herg": 0.106, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.3640017577821, "aff_pf": -0.4021590054035187, "aff_hs": -0.6323000192642212, "repeats_pf": {"runs": 3, "values": [-0.4327, -0.3824, -0.3914], "mean": -0.4022, "spread": 0.0503}, "repeats_hs": {"runs": 3, "values": [-0.683, -0.5314, -0.6825], "mean": -0.6323, "spread": 0.1516}, "at": 1788233462}, "tier": 1, "alerts": [], "total_sd": 0.152, "total_ci95": [29.634, 30.249], "relegate_reason": [], "submitted_at": 1788189797, "scored_at": 1788233462, "rank": 4053}, {"candidate_id": "ODC-199E3A", "res_at": 1787267801, "skeleton": "RIILVORSRORLOT", "hf_user": "ipsych", "display_name": "OCB-isopentyl-cPr-OCF3distal", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 29.85, "axes": {"activity": 17.3, "binding": 2.45, "selectivity": 0.26, "admet": 3.19, "novelty": 4.08, "synthesis": 2.57}, "detail": {"activity": {"pAct_q10": 5.638, "fraction": 0.577}, "binding": {"pIC50": 5.52, "LE": 0.21, "potency_term": 0.175, "efficiency_cap": 0.701}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.676, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.944, "herg": 0.107, "dili": 0.914}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.638003232264542, "aff_pf": 0.47537024319171906, "aff_hs": 0.6262384057044983, "repeats_pf": {"runs": 3, "values": [0.0419, 0.9398, 0.4444], "mean": 0.4754, "spread": 0.8979}, "repeats_hs": {"runs": 3, "values": [0.5629, 0.3594, 0.9565], "mean": 0.6262, "spread": 0.5972}, "at": 1787267801}, "tier": 1, "relegate_reason": [], "submitted_at": 1787266864, "scored_at": 1787267801, "alerts": [], "rank": 4054}, {"candidate_id": "ODC-96C982", "res_at": 1789366266, "skeleton": "PUVYOUAGIGADFG", "hf_user": "Bio-JS", "display_name": "0914-S1-div27", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 29.844, "axes": {"activity": 13.89, "binding": 7.09, "selectivity": 0.71, "admet": 3.92, "novelty": 2.32, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.434, "fraction": 0.463}, "binding": {"pIC50": 6.06, "LE": 0.332, "potency_term": 0.355, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.999, "cyp3a4-substrate-carbonmangels": 0.434, "ld50-zhu": 0.351, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.433502577471448, "aff_pf": -0.06358516961336136, "aff_hs": 0.13554811477661133, "repeats_pf": {"runs": 3, "values": [-0.1203, -0.0346, -0.0358], "mean": -0.0636, "spread": 0.0857}, "repeats_hs": {"runs": 3, "values": [0.1111, 0.1691, 0.1264], "mean": 0.1355, "spread": 0.058}, "at": 1789366266}, "tier": 1, "alerts": [], "total_sd": 0.255, "total_ci95": [29.469, 30.471], "relegate_reason": [], "submitted_at": 1789346187, "scored_at": 1789366266, "rank": 4055}, {"candidate_id": "ODC-3C48BF", "res_at": 1787326423, "skeleton": "KEEWYOHIRAFQPT", "hf_user": "Ku-ku", "display_name": "E_4I_SCF2CF3", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.832, "axes": {"activity": 11.21, "binding": 8.36, "selectivity": 4.4, "admet": 2.36, "novelty": 1.74, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 6.25, "LE": 0.33, "potency_term": 0.418, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.526, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.082, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.964, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.635, "ld50-zhu": 0.965, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.272752833149454, "aff_pf": -0.2540883521238963, "aff_hs": 0.7979948321978251, "repeats_pf": {"runs": 3, "values": [-0.2915, -0.171, -0.2997], "mean": -0.2541, "spread": 0.1287}, "repeats_hs": {"runs": 3, "values": [0.7124, 0.7433, 0.9382], "mean": 0.798, "spread": 0.2258}, "at": 1787326423}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322730, "scored_at": 1787326423, "alerts": [], "rank": 4056}, {"candidate_id": "ODC-971F2C", "res_at": 1786985124, "skeleton": "KPVHHRJNTPGVKM", "hf_user": "1Dmeds", "display_name": "ODC26-R7-06", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1I", "total": 29.832, "axes": {"activity": 12.15, "binding": 7.18, "selectivity": 3.89, "admet": 2.34, "novelty": 2.39, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.08, "LE": 0.362, "potency_term": 0.359, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.1, "selectivity_term": 0.542, "target_engagement": 0.359}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.32, "ld50-zhu": 0.381, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 5.329098553502597, "aff_pf": -0.0768331711490949, "aff_hs": 1.007291575272878, "repeats_pf": {"runs": 3, "values": [0.0229, -0.0938, -0.1596], "mean": -0.0768, "spread": 0.1826}, "repeats_hs": {"runs": 3, "values": [1.0342, 1.0025, 0.9852], "mean": 1.0073, "spread": 0.049}, "at": 1786985124}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980306, "scored_at": 1786985124, "alerts": [], "rank": 4057}, {"candidate_id": "ODC-62AAC7", "res_at": 1786854907, "skeleton": "ZEQGDNVGWHNHFY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········nc2n1", "total": 29.828, "axes": {"activity": 11.45, "binding": 9.09, "selectivity": 2.02, "admet": 2.68, "novelty": 2.46, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 6.36, "LE": 0.379, "potency_term": 0.455, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.455}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.483, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 5.287122811960328, "aff_pf": -0.3636147876580556, "aff_hs": 0.08083746333916982, "repeats_pf": {"runs": 3, "values": [-0.3844, -0.3369, -0.3696], "mean": -0.3636, "spread": 0.0475}, "repeats_hs": {"runs": 3, "values": [0.0394, 0.1091, 0.0939], "mean": 0.0808, "spread": 0.0697}, "at": 1786854907}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847661, "scored_at": 1786854907, "alerts": [], "rank": 4058}, {"candidate_id": "ODC-0B7658", "res_at": 1786976903, "skeleton": "TYIYSAUUXFHKEC", "hf_user": "takutoyo", "display_name": "PfD3-10", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC1(F)C··········2)CC1", "total": 29.827, "axes": {"activity": 18.33, "binding": 2.09, "selectivity": 0.2, "admet": 3.12, "novelty": 3.44, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.7, "fraction": 0.611}, "binding": {"pIC50": 5.42, "LE": 0.225, "potency_term": 0.14, "efficiency_cap": 0.75}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.14}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.097, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.054, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 0.459, "ld50-zhu": 0.811, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.437, "novelty": 0.563}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.6999590578860255, "aff_pf": 0.5812673767407736, "aff_hs": 0.7232510844866434, "repeats_pf": {"runs": 3, "values": [0.5415, 0.672, 0.5303], "mean": 0.5813, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [0.8671, 0.7184, 0.5842], "mean": 0.7233, "spread": 0.2829}, "at": 1786976903}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975769, "scored_at": 1786976903, "alerts": [], "rank": 4059}, {"candidate_id": "ODC-C84A7D", "res_at": 1787320407, "skeleton": "BDOGSUMHLKWWFM", "hf_user": "araai", "display_name": "araai", "model_name": "ARA", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 29.808, "axes": {"activity": 17.1, "binding": 4.47, "selectivity": 0.0, "admet": 1.89, "novelty": 3.5, "synthesis": 2.85}, "detail": {"activity": {"pAct_q10": 5.626, "fraction": 0.57}, "binding": {"pIC50": 5.94, "LE": 0.214, "potency_term": 0.313, "efficiency_cap": 0.714}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.313}, "admet": {"geometric_mean": 0.221, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 0.779, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.469, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 5.625791000395513, "aff_pf": 0.06081691384315491, "aff_hs": -0.3308061559995015, "repeats_pf": {"runs": 3, "values": [0.5582, -0.1585, -0.2172], "mean": 0.0608, "spread": 0.7755}, "repeats_hs": {"runs": 3, "values": [-0.1296, -0.4921, -0.3707], "mean": -0.3308, "spread": 0.3626}, "at": 1787320407}, "tier": 1, "relegate_reason": [], "submitted_at": 1787317235, "scored_at": 1787320407, "alerts": [], "rank": 4060}, {"candidate_id": "ODC-9A72E7", "res_at": 1786979494, "skeleton": "COWFDSZIZVTBEN", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········F)cc1", "total": 29.807, "axes": {"activity": 17.26, "binding": 1.0, "selectivity": 0.12, "admet": 4.95, "novelty": 4.08, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.636, "fraction": 0.575}, "binding": {"pIC50": 5.16, "LE": 0.283, "potency_term": 0.053, "efficiency_cap": 0.942}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.053}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.561, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.097, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.54, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.635861375849996, "aff_pf": 0.8415953715642294, "aff_hs": 1.0690152446428935, "repeats_pf": {"runs": 3, "values": [0.8003, 0.9634, 0.7611], "mean": 0.8416, "spread": 0.2022}, "repeats_hs": {"runs": 3, "values": [0.9589, 1.1897, 1.0585], "mean": 1.069, "spread": 0.2308}, "at": 1786979494}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977239, "scored_at": 1786979494, "alerts": [], "rank": 4061}, {"candidate_id": "ODC-CF3E17", "res_at": 1787028433, "skeleton": "ZDEQJFPJFUNZEG", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········H]1CO", "total": 29.788, "axes": {"activity": 15.13, "binding": 8.63, "selectivity": 0.0, "admet": 3.19, "novelty": 1.04, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.504}, "binding": {"pIC50": 6.34, "LE": 0.29, "potency_term": 0.447, "efficiency_cap": 0.965}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.33, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.657, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.793, "novelty": 0.207}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.507852597905064, "aff_pf": -0.34126171469688416, "aff_hs": -0.3856422280271848, "repeats_pf": {"runs": 3, "values": [-0.3016, -0.2903, -0.4319], "mean": -0.3413, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [-0.5822, 0.089, -0.6638], "mean": -0.3856, "spread": 0.7528}, "at": 1787028433}, "tier": 1, "relegate_reason": [], "submitted_at": 1787026198, "scored_at": 1787028433, "alerts": [], "rank": 4062}, {"candidate_id": "ODC-8D26A2", "res_at": 1786923318, "skeleton": "BQXOEMYIRJXGDX", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Claude-PfDHODH-C5CN-10th", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.761, "axes": {"activity": 14.8, "binding": 4.0, "selectivity": 1.41, "admet": 4.62, "novelty": 2.8, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.488, "fraction": 0.493}, "binding": {"pIC50": 5.6, "LE": 0.32, "potency_term": 0.2, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.353, "target_engagement": 0.2}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.525, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.545, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.538, "herg": 0.918, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.4881732469699, "aff_pf": 0.4006289839744568, "aff_hs": 1.1061534682909648, "repeats_pf": {"runs": 3, "values": [0.3336, 0.5215, 0.3467], "mean": 0.4006, "spread": 0.1879}, "repeats_hs": {"runs": 3, "values": [1.2397, 0.9876, 1.0911], "mean": 1.1062, "spread": 0.2521}, "at": 1786923318}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921589, "scored_at": 1786923318, "alerts": [], "rank": 4063}, {"candidate_id": "ODC-03BE4B", "res_at": 1789964165, "skeleton": "JPPQOJUHNTYZSS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 29.758, "axes": {"activity": 15.17, "binding": 4.42, "selectivity": 2.24, "admet": 3.07, "novelty": 2.33, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 5.82, "LE": 0.242, "potency_term": 0.274, "efficiency_cap": 0.806}, "selectivity": {"fold": 6.6, "selectivity_term": 0.408, "target_engagement": 0.274}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.976, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.673, "ld50-zhu": 0.518, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.539, "novelty": 0.461}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "2", "pAct_q10": 5.5104287762591735, "aff_pf": 0.17731911689043045, "aff_hs": 0.9940675099690756, "repeats_pf": {"runs": 3, "values": [0.3229, 0.1565, 0.0526], "mean": 0.1773, "spread": 0.2703}, "repeats_hs": {"runs": 3, "values": [1.2061, 0.9424, 0.8337], "mean": 0.9941, "spread": 0.3724}, "at": 1789964165}, "tier": 1, "alerts": [], "total_sd": 0.74, "total_ci95": [28.444, 31.27], "relegate_reason": [], "submitted_at": 1789907397, "scored_at": 1789964165, "rank": 4064}, {"candidate_id": "ODC-19FEE2", "res_at": 1789945019, "skeleton": "IJTISXDIJROGMM", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.75, "axes": {"activity": 13.01, "binding": 8.05, "selectivity": 2.06, "admet": 3.33, "novelty": 1.32, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 6.21, "LE": 0.354, "potency_term": 0.402, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.255, "target_engagement": 0.402}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.531, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.74, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.271, "herg": 0.566, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.380821634265109, "aff_pf": -0.2071213573217392, "aff_hs": 0.30374234914779663, "repeats_pf": {"runs": 3, "values": [-0.2457, -0.2334, -0.1423], "mean": -0.2071, "spread": 0.1035}, "repeats_hs": {"runs": 3, "values": [0.3146, 0.2232, 0.3734], "mean": 0.3037, "spread": 0.1501}, "at": 1789945019}, "tier": 1, "alerts": [], "total_sd": 0.335, "total_ci95": [29.061, 30.336], "relegate_reason": [], "submitted_at": 1789828757, "scored_at": 1789945019, "rank": 4065}, {"candidate_id": "ODC-751271", "res_at": 1788085018, "skeleton": "SMERWXNBGHQHDQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 29.731, "axes": {"activity": 13.88, "binding": 10.17, "selectivity": 0.0, "admet": 3.08, "novelty": 1.15, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 6.66, "LE": 0.276, "potency_term": 0.552, "efficiency_cap": 0.921}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.774, "novelty": 0.226}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.432626335080975, "aff_pf": -0.6566532850265503, "aff_hs": -0.8343008359273275, "repeats_pf": {"runs": 3, "values": [-0.6589, -0.6013, -0.7098], "mean": -0.6567, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [-0.7734, -0.887, -0.8425], "mean": -0.8343, "spread": 0.1136}, "at": 1788085018}, "tier": 1, "alerts": [], "total_sd": 0.331, "total_ci95": [29.074, 30.37], "relegate_reason": [], "submitted_at": 1788078595, "scored_at": 1788085018, "rank": 4066}, {"candidate_id": "ODC-D7FC41", "res_at": 1787920110, "skeleton": "RVRQZEQACOVFJZ", "hf_user": "Bio-JS", "display_name": "K3 코어2-SMe x 옥세탄 (소수성 전자주개)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········cnc12", "total": 29.728, "axes": {"activity": 16.97, "binding": 4.24, "selectivity": 0.0, "admet": 2.39, "novelty": 3.87, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.618, "fraction": 0.566}, "binding": {"pIC50": 5.88, "LE": 0.218, "potency_term": 0.292, "efficiency_cap": 0.725}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.292}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.358, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.366, "herg": 0.05, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.617934460171412, "aff_pf": 0.12326541543006897, "aff_hs": 0.06735977530479431, "repeats_pf": {"runs": 3, "values": [0.1675, 0.1199, 0.0824], "mean": 0.1233, "spread": 0.085}, "repeats_hs": {"runs": 3, "values": [-0.0167, 0.2413, -0.0225], "mean": 0.0674, "spread": 0.2638}, "at": 1787920110}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898883, "scored_at": 1787920110, "alerts": [], "rank": 4067}, {"candidate_id": "ODC-636695", "res_at": 1788536723, "skeleton": "HIJNOGHBZBOARQ", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)cc1", "total": 29.668, "axes": {"activity": 20.0, "binding": 0.22, "selectivity": 0.0, "admet": 2.63, "novelty": 3.85, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.8, "fraction": 0.667}, "binding": {"pIC50": 5.05, "LE": 0.203, "potency_term": 0.017, "efficiency_cap": 0.678}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.017}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.473, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.959, "ld50-zhu": 0.772, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.799735699168185, "aff_pf": 0.950302004814148, "aff_hs": 0.6207120617230734, "repeats_pf": {"runs": 3, "values": [1.0098, 0.8845, 0.9566], "mean": 0.9503, "spread": 0.1253}, "repeats_hs": {"runs": 3, "values": [0.6527, 0.8095, 0.3999], "mean": 0.6207, "spread": 0.4096}, "at": 1788536723}, "tier": 1, "alerts": [], "total_sd": 0.195, "total_ci95": [29.479, 29.973], "relegate_reason": [], "submitted_at": 1788489549, "scored_at": 1788536723, "rank": 4068}, {"candidate_id": "ODC-E08C3D", "res_at": 1787427132, "skeleton": "ZGISAUKITHVVEH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 29.666, "axes": {"activity": 16.83, "binding": 3.91, "selectivity": 0.27, "admet": 2.36, "novelty": 3.74, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.61, "fraction": 0.561}, "binding": {"pIC50": 5.8, "LE": 0.221, "potency_term": 0.266, "efficiency_cap": 0.735}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.679, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.189}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.609613459113551, "aff_pf": 0.20198102792104086, "aff_hs": 0.3039272626241048, "repeats_pf": {"runs": 3, "values": [0.1726, 0.2052, 0.2282], "mean": 0.202, "spread": 0.0556}, "repeats_hs": {"runs": 3, "values": [0.2288, 0.3669, 0.3161], "mean": 0.3039, "spread": 0.1381}, "at": 1787427132}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425268, "scored_at": 1787427132, "alerts": [], "rank": 4069}, {"candidate_id": "ODC-3439F8", "res_at": 1787260357, "skeleton": "OOPQYAFXLVJMDW", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 29.663, "axes": {"activity": 14.53, "binding": 6.38, "selectivity": 1.36, "admet": 2.19, "novelty": 3.02, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.472, "fraction": 0.484}, "binding": {"pIC50": 6.21, "LE": 0.236, "potency_term": 0.405, "efficiency_cap": 0.788}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.405}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.417, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.376, "novelty": 0.624}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.471807642818916, "aff_pf": -0.21357907354831696, "aff_hs": 0.1216496874888738, "repeats_pf": {"runs": 3, "values": [-0.1912, -0.1098, -0.3398], "mean": -0.2136, "spread": 0.23}, "repeats_hs": {"runs": 3, "values": [0.1395, 0.1239, 0.1016], "mean": 0.1216, "spread": 0.038}, "at": 1787260357}, "tier": 1, "relegate_reason": [], "submitted_at": 1787259965, "scored_at": 1787260357, "alerts": [], "rank": 4070}, {"candidate_id": "ODC-4C3B44", "res_at": 1788132864, "skeleton": "WZPXYGLGXGRXCD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.621, "axes": {"activity": 13.78, "binding": 7.41, "selectivity": 2.04, "admet": 1.69, "novelty": 2.51, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.459}, "binding": {"pIC50": 6.18, "LE": 0.282, "potency_term": 0.394, "efficiency_cap": 0.941}, "selectivity": {"fold": 3.3, "selectivity_term": 0.26, "target_engagement": 0.394}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.373, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.897, "ld50-zhu": 0.589, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.426691074787715, "aff_pf": -0.18164215981960297, "aff_hs": 0.3374798595905304, "repeats_pf": {"runs": 3, "values": [-0.1578, -0.1551, -0.232], "mean": -0.1816, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [0.3105, 0.3991, 0.3029], "mean": 0.3375, "spread": 0.0962}, "at": 1788132864}, "tier": 1, "alerts": [], "total_sd": 0.262, "total_ci95": [29.175, 30.172], "relegate_reason": [], "submitted_at": 1788132309, "scored_at": 1788132864, "rank": 4071}, {"candidate_id": "ODC-F2BB24", "res_at": 1789607450, "skeleton": "AXIIAJORLKTZDM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CNN(C)c··········nc2n1", "total": 29.61, "axes": {"activity": 14.72, "binding": 5.93, "selectivity": 1.33, "admet": 3.0, "novelty": 3.36, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.483, "fraction": 0.491}, "binding": {"pIC50": 6.06, "LE": 0.252, "potency_term": 0.353, "efficiency_cap": 0.839}, "selectivity": {"fold": 2.4, "selectivity_term": 0.188, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.453, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.345, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.992, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.18}}, "run": {"gpu": "0", "pAct_q10": 5.483022088237422, "aff_pf": -0.06031596660614014, "aff_hs": 0.31650154789288837, "repeats_pf": {"runs": 3, "values": [-0.089, -0.0872, -0.0047], "mean": -0.0603, "spread": 0.0843}, "repeats_hs": {"runs": 3, "values": [0.2697, 0.2922, 0.3876], "mean": 0.3165, "spread": 0.1179}, "at": 1789607450}, "tier": 1, "alerts": [], "total_sd": 0.279, "total_ci95": [29.098, 30.082], "relegate_reason": [], "submitted_at": 1789606728, "scored_at": 1789607450, "rank": 4072}, {"candidate_id": "ODC-346D86", "res_at": 1786831615, "skeleton": "CVVHLQHSCAZMKX", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cc1", "total": 29.599, "axes": {"activity": 11.05, "binding": 8.55, "selectivity": 3.55, "admet": 3.11, "novelty": 1.2, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.263, "fraction": 0.368}, "binding": {"pIC50": 6.28, "LE": 0.374, "potency_term": 0.428, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.507, "cyp3a4-substrate-carbonmangels": 0.112, "ld50-zhu": 0.33, "herg": 0.544, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "2", "pAct_q10": 5.263109030738157, "aff_pf": -0.28302596509456635, "aff_hs": 0.5468644201755524, "repeats_pf": {"runs": 3, "values": [-0.2574, -0.3684, -0.2233], "mean": -0.283, "spread": 0.1451}, "repeats_hs": {"runs": 3, "values": [0.5866, 0.575, 0.479], "mean": 0.5469, "spread": 0.1077}, "at": 1786831615}, "tier": 1, "relegate_reason": [], "submitted_at": 1786797046, "scored_at": 1786831615, "alerts": [], "rank": 4073}, {"candidate_id": "ODC-71E3C9", "res_at": 1786897012, "skeleton": "KQACETPMISCABV", "hf_user": "1Dmeds", "display_name": "ODC26-PZPY-03", "model_name": "OpenAI GPT-5.6 Luna + Terra red-team", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 29.595, "axes": {"activity": 11.95, "binding": 11.19, "selectivity": 0.0, "admet": 3.05, "novelty": 1.75, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.398}, "binding": {"pIC50": 6.79, "LE": 0.282, "potency_term": 0.596, "efficiency_cap": 0.939}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.596}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.49, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.991, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.687, "novelty": 0.313}, "synthesis": {"sa_score": 3.94}}, "run": {"gpu": "2", "pAct_q10": 5.317201933157699, "aff_pf": -0.7869547804196676, "aff_hs": -0.829034666220347, "repeats_pf": {"runs": 3, "values": [-0.7839, -0.7751, -0.8019], "mean": -0.787, "spread": 0.0268}, "repeats_hs": {"runs": 3, "values": [-0.767, -0.7939, -0.9262], "mean": -0.829, "spread": 0.1592}, "at": 1786897012}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892256, "scored_at": 1786897012, "alerts": [], "rank": 4074}, {"candidate_id": "ODC-B141E3", "res_at": 1787309172, "skeleton": "FZXRUPSFZURNJI", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1cc(I)c(C(=O)NC2CC2)s1", "smiles_masked": null, "total": 29.595, "axes": {"activity": 8.49, "binding": 10.64, "selectivity": 3.52, "admet": 3.11, "novelty": 1.54, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.109, "fraction": 0.283}, "binding": {"pIC50": 6.6, "LE": 0.377, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.337, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.351, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.71, "novelty": 0.29}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.109218396715082, "aff_pf": -0.5963435570398966, "aff_hs": 0.06533181667327881, "repeats_pf": {"runs": 3, "values": [-0.6439, -0.5847, -0.5604], "mean": -0.5963, "spread": 0.0835}, "repeats_hs": {"runs": 3, "values": [0.1983, -0.316, 0.3136], "mean": 0.0653, "spread": 0.6296}, "at": 1787309172}, "tier": 1, "relegate_reason": [], "submitted_at": 1787308614, "scored_at": 1787309172, "alerts": [], "rank": 4075}, {"candidate_id": "ODC-7FFF25", "res_at": 1789931914, "skeleton": "ARPLUJYYSLMZJB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 29.583, "axes": {"activity": 18.59, "binding": 1.67, "selectivity": 0.6, "admet": 3.34, "novelty": 2.72, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.715, "fraction": 0.62}, "binding": {"pIC50": 5.35, "LE": 0.216, "potency_term": 0.117, "efficiency_cap": 0.719}, "selectivity": {"fold": 3.2, "selectivity_term": 0.255, "target_engagement": 0.117}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.783, "ld50-zhu": 0.75, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.562, "novelty": 0.438}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.7153791081077, "aff_pf": 0.6504163146018982, "aff_hs": 1.1610934336980183, "repeats_pf": {"runs": 3, "values": [0.5548, 0.6301, 0.7664], "mean": 0.6504, "spread": 0.2115}, "repeats_hs": {"runs": 3, "values": [1.269, 1.1886, 1.0257], "mean": 1.1611, "spread": 0.2434}, "at": 1789931914}, "tier": 1, "alerts": [], "total_sd": 0.414, "total_ci95": [28.778, 30.344], "relegate_reason": [], "submitted_at": 1789778696, "scored_at": 1789931914, "rank": 4076}, {"candidate_id": "ODC-B30043", "res_at": 1787279432, "skeleton": "JCDIJXLLZWHXPT", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 29.561, "axes": {"activity": 16.43, "binding": 3.83, "selectivity": 0.28, "admet": 4.05, "novelty": 3.21, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.586, "fraction": 0.548}, "binding": {"pIC50": 5.59, "LE": 0.294, "potency_term": 0.195, "efficiency_cap": 0.981}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.195}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.51, "caco2-wang": 0.526, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.228, "ld50-zhu": 0.5, "herg": 0.292, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 5.586004695289188, "aff_pf": 0.4144064585367839, "aff_hs": 0.5599780877431234, "repeats_pf": {"runs": 3, "values": [0.3924, 0.4368, 0.414], "mean": 0.4144, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [0.5513, 0.6338, 0.4948], "mean": 0.56, "spread": 0.139}, "at": 1787279432}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276141, "scored_at": 1787279432, "alerts": [], "rank": 4077}, {"candidate_id": "ODC-0C2312", "res_at": 1787085567, "skeleton": "HIHLEOJRUHNGGB", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 29.556, "axes": {"activity": 11.8, "binding": 7.26, "selectivity": 4.74, "admet": 1.37, "novelty": 2.56, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 6.23, "LE": 0.267, "potency_term": 0.409, "efficiency_cap": 0.888}, "selectivity": {"fold": 14.5, "selectivity_term": 0.58, "target_engagement": 0.409}, "admet": {"geometric_mean": 0.232, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.281, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.923, "ld50-zhu": 0.51, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.307926799996311, "aff_pf": -0.2259733205040296, "aff_hs": 0.9344948331514994, "repeats_pf": {"runs": 3, "values": [-0.4582, -0.1148, -0.105], "mean": -0.226, "spread": 0.3532}, "repeats_hs": {"runs": 3, "values": [0.876, 1.0244, 0.9031], "mean": 0.9345, "spread": 0.1484}, "at": 1787085567}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074152, "scored_at": 1787085567, "alerts": [], "rank": 4078}, {"candidate_id": "ODC-F6335A", "res_at": 1787554110, "skeleton": "WTFLDGKRLPRREH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 29.551, "axes": {"activity": 12.95, "binding": 7.27, "selectivity": 1.06, "admet": 3.58, "novelty": 3.27, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 6.1, "LE": 0.298, "potency_term": 0.366, "efficiency_cap": 0.994}, "selectivity": {"fold": 1.9, "selectivity_term": 0.144, "target_engagement": 0.366}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 0.882, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.808, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.243, "novelty": 0.757}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.37685632286658, "aff_pf": -0.09671324491500854, "aff_hs": 0.19208686302105585, "repeats_pf": {"runs": 3, "values": [-0.1388, -0.0388, -0.1125], "mean": -0.0967, "spread": 0.0999}, "repeats_hs": {"runs": 3, "values": [0.2732, 0.3131, -0.01], "mean": 0.1921, "spread": 0.3231}, "at": 1787554110}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537028, "scored_at": 1787554110, "alerts": [], "rank": 4079}, {"candidate_id": "ODC-CD5145", "res_at": 1786855321, "skeleton": "DNUHTWHPPZJHLI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1cc··········nc2n1", "total": 29.55, "axes": {"activity": 15.7, "binding": 4.11, "selectivity": 0.93, "admet": 3.61, "novelty": 2.79, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.542, "fraction": 0.523}, "binding": {"pIC50": 5.62, "LE": 0.335, "potency_term": 0.205, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.227, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.605, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.683, "cyp3a4-substrate-carbonmangels": 0.126, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "2", "pAct_q10": 5.542103434382125, "aff_pf": 0.3840855856736501, "aff_hs": 0.8386759360631307, "repeats_pf": {"runs": 3, "values": [0.3939, 0.3666, 0.3917], "mean": 0.3841, "spread": 0.0273}, "repeats_hs": {"runs": 3, "values": [0.7036, 0.9114, 0.901], "mean": 0.8387, "spread": 0.2078}, "at": 1786855321}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847664, "scored_at": 1786855321, "alerts": [], "rank": 4080}, {"candidate_id": "ODC-C73BD2", "res_at": 1787925734, "skeleton": "LLHOGOICMPLIFY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 29.54, "axes": {"activity": 18.18, "binding": 0.5, "selectivity": 0.0, "admet": 4.21, "novelty": 3.99, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.691, "fraction": 0.606}, "binding": {"pIC50": 4.64, "LE": 0.187, "potency_term": 0.04, "efficiency_cap": 0.623}, "selectivity": {"fold": 1.1, "selectivity_term": 0.025, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 0.347, "pgp-broccatelli": 0.349, "cyp2c9-veith": 0.968, "cyp3a4-substrate-carbonmangels": 0.346, "ld50-zhu": 0.681, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.6910982751734105, "aff_pf": 1.3641395568847656, "aff_hs": 1.4145790338516235, "repeats_pf": {"runs": 3, "values": [1.1112, 1.5775, 1.4037], "mean": 1.3641, "spread": 0.4663}, "repeats_hs": {"runs": 3, "values": [1.3199, 1.4025, 1.5213], "mean": 1.4146, "spread": 0.2013}, "at": 1787925734}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898969, "scored_at": 1787925734, "alerts": [], "rank": 4081}, {"candidate_id": "ODC-F6DEAC", "res_at": 1787373681, "skeleton": "YGZYYONIFUVGLM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.519, "axes": {"activity": 13.75, "binding": 6.31, "selectivity": 1.85, "admet": 3.62, "novelty": 2.03, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.425, "fraction": 0.458}, "binding": {"pIC50": 5.95, "LE": 0.339, "potency_term": 0.316, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.293, "target_engagement": 0.316}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.957, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.582, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.48, "herg": 0.947, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.4249556478367715, "aff_pf": 0.05323077738285065, "aff_hs": 0.6384714444478353, "repeats_pf": {"runs": 3, "values": [-0.09, -0.03, 0.2796], "mean": 0.0532, "spread": 0.3696}, "repeats_hs": {"runs": 3, "values": [0.6616, 0.616, 0.6378], "mean": 0.6385, "spread": 0.0455}, "at": 1787373681}, "tier": 1, "relegate_reason": [], "submitted_at": 1787367723, "scored_at": 1787373681, "alerts": [], "rank": 4082}, {"candidate_id": "ODC-36E772", "res_at": 1787420995, "skeleton": "JNYNGHPVIHKBJZ", "hf_user": "NILKNARFGonzo", "display_name": "2-(4-(2-(4-phenylphenyl)-7-(4-(ethylamino)phenyl)pyrazolo[1,", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "CCNc1ccc(-c2cc(-c3ccc(C(C)(C)C#N)cc3)nc3cc(-c4ccc(-c5ccccc5)cc4)nn23)cc1", "smiles_masked": null, "total": 29.516, "axes": {"activity": 13.35, "binding": 5.08, "selectivity": 3.49, "admet": 2.35, "novelty": 3.1, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 6.12, "LE": 0.204, "potency_term": 0.373, "efficiency_cap": 0.681}, "selectivity": {"fold": 8.7, "selectivity_term": 0.469, "target_engagement": 0.373}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.653, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.727, "cyp3a4-substrate-carbonmangels": 0.232, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.721}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.401030240456072, "aff_pf": -0.1182784487803777, "aff_hs": 0.8193033138910929, "repeats_pf": {"runs": 3, "values": [0.151, -0.197, -0.3088], "mean": -0.1183, "spread": 0.4599}, "repeats_hs": {"runs": 3, "values": [0.9652, 0.8129, 0.6799], "mean": 0.8193, "spread": 0.2853}, "at": 1787420995}, "tier": 1, "relegate_reason": [], "submitted_at": 1787420781, "scored_at": 1787420995, "alerts": [], "rank": 4083}, {"candidate_id": "ODC-972356", "res_at": 1787101077, "skeleton": "OTEWVLWSKYIZAV", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 29.514, "axes": {"activity": 16.73, "binding": 3.93, "selectivity": 0.62, "admet": 2.44, "novelty": 3.3, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 5.8, "LE": 0.221, "potency_term": 0.267, "efficiency_cap": 0.736}, "selectivity": {"fold": 1.7, "selectivity_term": 0.117, "target_engagement": 0.267}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.111}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.603834502235023, "aff_pf": 0.19945555925369263, "aff_hs": 0.43328123291333515, "repeats_pf": {"runs": 3, "values": [0.3142, 0.2456, 0.0386], "mean": 0.1995, "spread": 0.2755}, "repeats_hs": {"runs": 3, "values": [0.4402, 0.413, 0.4466], "mean": 0.4333, "spread": 0.0336}, "at": 1787101077}, "tier": 1, "relegate_reason": [], "submitted_at": 1787100878, "scored_at": 1787101077, "alerts": [], "rank": 4084}, {"candidate_id": "ODC-13BF10", "res_at": 1787203647, "skeleton": "ADMUFBQFOBIMLV", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········CC1=O", "total": 29.498, "axes": {"activity": 2.22, "binding": 12.15, "selectivity": 6.08, "admet": 4.8, "novelty": 1.21, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 4.479, "fraction": 0.074}, "binding": {"pIC50": 6.82, "LE": 0.406, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.5, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.275, "cyp3a4-substrate-carbonmangels": 0.534, "ld50-zhu": 0.373, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.8, "novelty": 0.2}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.479025113408056, "aff_pf": -0.8223569989204407, "aff_hs": 0.17852531373500824, "repeats_pf": {"runs": 3, "values": [-0.7148, -0.7137, -1.0386], "mean": -0.8224, "spread": 0.3249}, "repeats_hs": {"runs": 3, "values": [0.1749, 0.1793, 0.1814], "mean": 0.1785, "spread": 0.0065}, "at": 1787203647}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787200624, "scored_at": 1787203647, "rank": 4085}, {"candidate_id": "ODC-DCB36A", "res_at": 1788526610, "skeleton": "NIWACFCVDXTNBQ", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 29.487, "axes": {"activity": 17.36, "binding": 3.07, "selectivity": 0.96, "admet": 2.7, "novelty": 3.23, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.642, "fraction": 0.579}, "binding": {"pIC50": 5.6, "LE": 0.232, "potency_term": 0.198, "efficiency_cap": 0.774}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.198}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.335, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.875, "ld50-zhu": 0.669, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "0", "pAct_q10": 5.641670655695873, "aff_pf": 0.40495248635609943, "aff_hs": 0.8866555690765381, "repeats_pf": {"runs": 3, "values": [0.552, 0.3651, 0.2978], "mean": 0.405, "spread": 0.2542}, "repeats_hs": {"runs": 3, "values": [0.712, 1.0293, 0.9186], "mean": 0.8867, "spread": 0.3173}, "at": 1788526610}, "tier": 1, "alerts": [], "total_sd": 0.554, "total_ci95": [28.55, 30.619], "relegate_reason": [], "submitted_at": 1788489515, "scored_at": 1788526610, "rank": 4086}, {"candidate_id": "ODC-FD2A3A", "res_at": 1789245734, "skeleton": "PNSTUWUDYGXHFC", "hf_user": "Bio-JS", "display_name": "0913-S1-div27", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 29.486, "axes": {"activity": 9.79, "binding": 8.28, "selectivity": 4.29, "admet": 3.25, "novelty": 2.0, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.326}, "binding": {"pIC50": 6.24, "LE": 0.356, "potency_term": 0.414, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.518, "target_engagement": 0.414}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.666, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.317, "herg": 0.65, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.187645381569328, "aff_pf": -0.24248909453550974, "aff_hs": 0.7936977545420328, "repeats_pf": {"runs": 3, "values": [-0.2378, -0.3174, -0.1722], "mean": -0.2425, "spread": 0.1452}, "repeats_hs": {"runs": 3, "values": [0.8356, 0.8064, 0.7391], "mean": 0.7937, "spread": 0.0965}, "at": 1789245734}, "tier": 1, "alerts": [], "total_sd": 0.671, "total_ci95": [28.136, 30.642], "relegate_reason": [], "submitted_at": 1789226388, "scored_at": 1789245734, "rank": 4087}, {"candidate_id": "ODC-8DE07B", "res_at": 1787036165, "skeleton": "PSPCXQWDKBRTGV", "hf_user": "epicsaga", "display_name": "PFD2-06", "model_name": "GLM-5.3", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········F)CC1", "total": 29.479, "axes": {"activity": 19.19, "binding": 0.23, "selectivity": 0.0, "admet": 3.18, "novelty": 3.69, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.751, "fraction": 0.64}, "binding": {"pIC50": 5.05, "LE": 0.216, "potency_term": 0.016, "efficiency_cap": 0.72}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.016}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.642, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "3", "pAct_q10": 5.751133956285569, "aff_pf": 0.9520208040873209, "aff_hs": 0.87469482421875, "repeats_pf": {"runs": 3, "values": [0.9547, 0.8669, 1.0344], "mean": 0.952, "spread": 0.1675}, "repeats_hs": {"runs": 3, "values": [0.7649, 1.0568, 0.8024], "mean": 0.8747, "spread": 0.292}, "at": 1787036165}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032626, "scored_at": 1787036165, "alerts": [], "rank": 4088}, {"candidate_id": "ODC-FA53B3", "res_at": 1786949041, "skeleton": "IFEADBFGPMLRMA", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 29.465, "axes": {"activity": 12.5, "binding": 7.33, "selectivity": 4.46, "admet": 3.14, "novelty": 0.6, "synthesis": 1.44}, "detail": {"activity": {"pAct_q10": 5.35, "fraction": 0.417}, "binding": {"pIC50": 6.1, "LE": 0.309, "potency_term": 0.366, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.5, "selectivity_term": 0.609, "target_engagement": 0.366}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.564, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.127, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.856, "herg": 0.067, "dili": 0.62}}, "novelty": {"max_tanimoto": 0.857, "novelty": 0.143}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "2", "pAct_q10": 5.350042473412268, "aff_pf": -0.09938009828329086, "aff_hs": 1.1179845730463664, "repeats_pf": {"runs": 3, "values": [-0.0265, -0.0944, -0.1773], "mean": -0.0994, "spread": 0.1508}, "repeats_hs": {"runs": 3, "values": [1.0601, 1.0917, 1.2022], "mean": 1.118, "spread": 0.1421}, "at": 1786949041}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937530, "scored_at": 1786949041, "alerts": [], "rank": 4089}, {"candidate_id": "ODC-9960F0", "res_at": 1787453607, "skeleton": "NSYASNBCAASLFB", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········C1CC1", "total": 29.463, "axes": {"activity": 4.98, "binding": 10.97, "selectivity": 4.61, "admet": 3.88, "novelty": 3.16, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 4.899, "fraction": 0.166}, "binding": {"pIC50": 6.65, "LE": 0.325, "potency_term": 0.548, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.421, "target_engagement": 0.548}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.924, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.755, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 4.898746774056978, "aff_pf": -0.6451850136121114, "aff_hs": 0.19619664053122202, "repeats_pf": {"runs": 3, "values": [-0.6725, -0.6395, -0.6235], "mean": -0.6452, "spread": 0.049}, "repeats_hs": {"runs": 3, "values": [0.2205, 0.1687, 0.1994], "mean": 0.1962, "spread": 0.0518}, "at": 1787453607}, "tier": 1, "relegate_reason": [], "submitted_at": 1787453020, "scored_at": 1787453607, "alerts": [], "rank": 4090}, {"candidate_id": "ODC-F86909", "res_at": 1787287199, "skeleton": "HYZKJYTZSKJPTO", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········(F)n1", "total": 29.45, "axes": {"activity": 13.16, "binding": 6.51, "selectivity": 1.15, "admet": 3.97, "novelty": 3.17, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.439}, "binding": {"pIC50": 5.98, "LE": 0.315, "potency_term": 0.326, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.176, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.619, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.389369227801358, "aff_pf": 0.023052585621674854, "aff_hs": 0.3747123082478841, "repeats_pf": {"runs": 3, "values": [-0.1641, 0.2131, 0.0201], "mean": 0.0231, "spread": 0.3773}, "repeats_hs": {"runs": 3, "values": [0.3631, 0.3896, 0.3714], "mean": 0.3747, "spread": 0.0265}, "at": 1787287199}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286675, "scored_at": 1787287199, "alerts": [], "rank": 4091}, {"candidate_id": "ODC-7508F6", "res_at": 1788085656, "skeleton": "ILSQUDXZNSPYBW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 29.446, "axes": {"activity": 12.61, "binding": 7.94, "selectivity": 3.61, "admet": 2.78, "novelty": 1.19, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 6.19, "LE": 0.303, "potency_term": 0.397, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.455, "target_engagement": 0.397}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.214, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.275, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.658, "herg": 0.95, "dili": 0.636}}, "novelty": {"max_tanimoto": 0.716, "novelty": 0.284}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.35638103511305, "aff_pf": -0.19084564844767252, "aff_hs": 0.71960977713267, "repeats_pf": {"runs": 3, "values": [-0.3106, -0.1194, -0.1425], "mean": -0.1908, "spread": 0.1912}, "repeats_hs": {"runs": 3, "values": [0.7662, 0.6201, 0.7725], "mean": 0.7196, "spread": 0.1523}, "at": 1788085656}, "tier": 1, "alerts": [], "total_sd": 0.747, "total_ci95": [28.4, 31.35], "relegate_reason": [], "submitted_at": 1788078708, "scored_at": 1788085656, "rank": 4092}, {"candidate_id": "ODC-E936EE", "res_at": 1786959123, "skeleton": "HIBPGJGOPNSKSN", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········C1CC1", "total": 29.441, "axes": {"activity": 9.83, "binding": 9.24, "selectivity": 2.31, "admet": 3.41, "novelty": 2.63, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 6.39, "LE": 0.336, "potency_term": 0.462, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.462}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.863, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.843, "herg": 0.276, "dili": 0.173}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.189922822437383, "aff_pf": -0.38596153259277344, "aff_hs": 0.11362327635288239, "repeats_pf": {"runs": 3, "values": [-0.3463, -0.3769, -0.4347], "mean": -0.386, "spread": 0.0885}, "repeats_hs": {"runs": 3, "values": [0.1258, 0.0827, 0.1324], "mean": 0.1136, "spread": 0.0497}, "at": 1786959123}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958946, "scored_at": 1786959123, "alerts": [], "rank": 4093}, {"candidate_id": "ODC-93DD84", "res_at": 1788963720, "skeleton": "WZGPCPDCYOXVKN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.439, "axes": {"activity": 10.87, "binding": 9.73, "selectivity": 1.62, "admet": 3.03, "novelty": 1.88, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 6.46, "LE": 0.354, "potency_term": 0.487, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.166, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.299, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.141, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.251942168152472, "aff_pf": -0.45957467953364056, "aff_hs": -0.12701140344142914, "repeats_pf": {"runs": 3, "values": [-0.398, -0.5201, -0.4606], "mean": -0.4596, "spread": 0.1222}, "repeats_hs": {"runs": 3, "values": [-0.2182, -0.0853, -0.0776], "mean": -0.127, "spread": 0.1406}, "at": 1788963720}, "tier": 1, "alerts": [], "total_sd": 0.529, "total_ci95": [28.506, 30.407], "relegate_reason": [], "submitted_at": 1788963002, "scored_at": 1788963720, "rank": 4094}, {"candidate_id": "ODC-B3DC91", "res_at": 1789436273, "skeleton": "SXFMWRDVFYJMBQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 29.43, "axes": {"activity": 12.91, "binding": 7.81, "selectivity": 1.89, "admet": 3.09, "novelty": 2.57, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 6.27, "LE": 0.277, "potency_term": 0.423, "efficiency_cap": 0.923}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.423}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.467, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.737, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.892, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 4.1}}, "run": {"gpu": "0", "pAct_q10": 5.374331117436735, "aff_pf": -0.26829495032628375, "aff_hs": 0.1797310709953308, "repeats_pf": {"runs": 3, "values": [-0.359, -0.3507, -0.0952], "mean": -0.2683, "spread": 0.2638}, "repeats_hs": {"runs": 3, "values": [0.2268, -0.0052, 0.3176], "mean": 0.1797, "spread": 0.3228}, "at": 1789436273}, "tier": 1, "alerts": [], "total_sd": 0.946, "total_ci95": [27.614, 31.025], "relegate_reason": [], "submitted_at": 1789435070, "scored_at": 1789436273, "rank": 4095}, {"candidate_id": "ODC-F6D7E9", "res_at": 1786834958, "skeleton": "OGKJTBMHTKNXNR", "hf_user": "rkrkrkekekek", "display_name": "zzzzz", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.427, "axes": {"activity": 2.64, "binding": 11.57, "selectivity": 6.3, "admet": 3.78, "novelty": 2.51, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 4.758, "fraction": 0.088}, "binding": {"pIC50": 6.74, "LE": 0.419, "potency_term": 0.579, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.3, "selectivity_term": 0.544, "target_engagement": 0.579}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.166, "ld50-zhu": 0.455, "herg": 0.206, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 4.758402782048782, "aff_pf": -0.7361087799072266, "aff_hs": 0.35216813286145526, "repeats_pf": {"runs": 3, "values": [-0.7531, -0.7531, -0.7021], "mean": -0.7361, "spread": 0.051}, "repeats_hs": {"runs": 3, "values": [0.3057, 0.3099, 0.4409], "mean": 0.3522, "spread": 0.1352}, "at": 1786834958}, "tier": 1, "relegate_reason": [], "submitted_at": 1786800946, "scored_at": 1786834958, "alerts": [], "rank": 4096}, {"candidate_id": "ODC-936199", "res_at": 1787575216, "skeleton": "DUDLUPBVBQNDJI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.426, "axes": {"activity": 11.67, "binding": 10.17, "selectivity": 1.36, "admet": 3.17, "novelty": 1.12, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 6.53, "LE": 0.319, "potency_term": 0.509, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.509}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.089, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.797, "herg": 0.05, "dili": 0.964}}, "novelty": {"max_tanimoto": 0.78, "novelty": 0.22}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.3004811014108135, "aff_pf": -0.5261399944623312, "aff_hs": -0.25886307160059613, "repeats_pf": {"runs": 3, "values": [-0.4906, -0.5011, -0.5867], "mean": -0.5261, "spread": 0.096}, "repeats_hs": {"runs": 3, "values": [-0.317, -0.2248, -0.2348], "mean": -0.2589, "spread": 0.0923}, "at": 1787575216}, "tier": 1, "relegate_reason": [], "submitted_at": 1787574887, "scored_at": 1787575216, "alerts": [], "rank": 4097}, {"candidate_id": "ODC-3620C5", "res_at": 1786846581, "skeleton": "XBSMNCIEUDMYOL", "hf_user": "ALEX32321", "display_name": "ALEXAI-Final8-V15-Aza", "model_name": "OpenCrab-ALEXAI final-8 benchmark v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.419, "axes": {"activity": 12.53, "binding": 7.81, "selectivity": 1.74, "admet": 3.67, "novelty": 1.93, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 6.17, "LE": 0.403, "potency_term": 0.39, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.39}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.584, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.394, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.351819636763613, "aff_pf": -0.17102270325024924, "aff_hs": 0.2744954625765483, "repeats_pf": {"runs": 3, "values": [-0.2148, -0.0955, -0.2027], "mean": -0.171, "spread": 0.1193}, "repeats_hs": {"runs": 3, "values": [0.2506, 0.3, 0.2729], "mean": 0.2745, "spread": 0.0494}, "at": 1786846581}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837559, "scored_at": 1786846581, "alerts": [], "rank": 4098}, {"candidate_id": "ODC-565349", "res_at": 1787901354, "skeleton": "OOTYEKFSQNFFRZ", "hf_user": "Bio-JS", "display_name": "팔제거: 코어2-Cl + 파라-CF3/메타-F 아닐린", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 29.413, "axes": {"activity": 5.88, "binding": 10.12, "selectivity": 3.93, "admet": 3.85, "novelty": 3.3, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 4.953, "fraction": 0.196}, "binding": {"pIC50": 6.52, "LE": 0.388, "potency_term": 0.506, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.388, "target_engagement": 0.506}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.497, "cyp3a4-substrate-carbonmangels": 0.201, "ld50-zhu": 0.456, "herg": 0.569, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 4.952517410548241, "aff_pf": -0.5179089506467184, "aff_hs": 0.2583237091700236, "repeats_pf": {"runs": 3, "values": [-0.5686, -0.4691, -0.5159], "mean": -0.5179, "spread": 0.0995}, "repeats_hs": {"runs": 3, "values": [0.2624, 0.3244, 0.1882], "mean": 0.2583, "spread": 0.1362}, "at": 1787901354}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889410, "scored_at": 1787901354, "alerts": [], "rank": 4099}, {"candidate_id": "ODC-98559D", "res_at": 1789595254, "skeleton": "ZMWRRYXLBWRASF", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········F)c1C", "total": 29.358, "axes": {"activity": 15.93, "binding": 4.75, "selectivity": 0.56, "admet": 2.98, "novelty": 3.78, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.556, "fraction": 0.531}, "binding": {"pIC50": 5.9, "LE": 0.238, "potency_term": 0.3, "efficiency_cap": 0.792}, "selectivity": {"fold": 1.5, "selectivity_term": 0.094, "target_engagement": 0.3}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.265, "hia-hou": 0.77, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.608, "cyp2c9-veith": 0.221, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 4.21}}, "run": {"gpu": "0", "pAct_q10": 5.5559510115646615, "aff_pf": 0.10097488760948181, "aff_hs": 0.2883436580499013, "repeats_pf": {"runs": 3, "values": [0.0808, 0.1252, 0.0969], "mean": 0.101, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [0.4686, 0.1807, 0.2157], "mean": 0.2883, "spread": 0.288}, "at": 1789595254}, "tier": 1, "alerts": [], "total_sd": 0.224, "total_ci95": [28.967, 29.795], "relegate_reason": [], "submitted_at": 1789594602, "scored_at": 1789595254, "rank": 4100}, {"candidate_id": "ODC-CFE78C", "res_at": 1788136132, "skeleton": "LNZTVBSHZFGSBW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 29.345, "axes": {"activity": 14.54, "binding": 7.11, "selectivity": 0.0, "admet": 2.25, "novelty": 3.12, "synthesis": 2.33}, "detail": {"activity": {"pAct_q10": 5.472, "fraction": 0.485}, "binding": {"pIC50": 6.2, "LE": 0.266, "potency_term": 0.401, "efficiency_cap": 0.885}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.46, "ld50-zhu": 0.561, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.47227351614301, "aff_pf": -0.20405231912930807, "aff_hs": -0.8611174821853638, "repeats_pf": {"runs": 3, "values": [-0.1221, -0.3754, -0.1147], "mean": -0.2041, "spread": 0.2608}, "repeats_hs": {"runs": 3, "values": [-0.8142, -0.9906, -0.7785], "mean": -0.8611, "spread": 0.2122}, "at": 1788136132}, "tier": 1, "alerts": [], "total_sd": 0.493, "total_ci95": [28.723, 30.58], "relegate_reason": [], "submitted_at": 1788132584, "scored_at": 1788136132, "rank": 4101}, {"candidate_id": "ODC-E8DC6E", "res_at": 1788165542, "skeleton": "SQUOTPRBELSJNR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 29.338, "axes": {"activity": 8.24, "binding": 8.9, "selectivity": 4.66, "admet": 4.17, "novelty": 1.46, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.094, "fraction": 0.275}, "binding": {"pIC50": 6.34, "LE": 0.347, "potency_term": 0.445, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.1, "selectivity_term": 0.523, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.926, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.921, "cyp3a4-substrate-carbonmangels": 0.481, "ld50-zhu": 0.634, "herg": 0.699, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.094249285506655, "aff_pf": -0.3356846074263255, "aff_hs": 0.7111966609954834, "repeats_pf": {"runs": 3, "values": [-0.3462, -0.3534, -0.3075], "mean": -0.3357, "spread": 0.0459}, "repeats_hs": {"runs": 3, "values": [0.5983, 0.9143, 0.621], "mean": 0.7112, "spread": 0.3159}, "at": 1788165542}, "tier": 1, "alerts": [], "total_sd": 0.443, "total_ci95": [28.58, 30.293], "relegate_reason": [], "submitted_at": 1788165337, "scored_at": 1788165542, "rank": 4102}, {"candidate_id": "ODC-E1A2E1", "res_at": 1787261504, "skeleton": "WGWDRKRYTUSYTO", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 29.336, "axes": {"activity": 16.69, "binding": 3.18, "selectivity": 0.66, "admet": 2.62, "novelty": 3.79, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.601, "fraction": 0.556}, "binding": {"pIC50": 5.7, "LE": 0.205, "potency_term": 0.232, "efficiency_cap": 0.685}, "selectivity": {"fold": 1.9, "selectivity_term": 0.142, "target_engagement": 0.232}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.479, "ld50-zhu": 0.832, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.60143920744004, "aff_pf": 0.30385930339495343, "aff_hs": 0.5875733494758606, "repeats_pf": {"runs": 3, "values": [0.815, -0.063, 0.1595], "mean": 0.3039, "spread": 0.878}, "repeats_hs": {"runs": 3, "values": [0.5418, 0.4514, 0.7695], "mean": 0.5876, "spread": 0.3181}, "at": 1787261504}, "tier": 1, "relegate_reason": [], "submitted_at": 1787260051, "scored_at": 1787261504, "alerts": [], "rank": 4103}, {"candidate_id": "ODC-F6C372", "res_at": 1787153633, "skeleton": "UTQLJFTVZXJPFI", "hf_user": "Ku-ku", "display_name": "M21_SEt_Br3CN", "model_name": "claude-fable-5 (board-oracle SAR harvest: 2-thioether x 4-halogen aniline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 29.334, "axes": {"activity": 13.33, "binding": 8.11, "selectivity": 0.73, "admet": 2.83, "novelty": 2.3, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.4, "fraction": 0.444}, "binding": {"pIC50": 6.22, "LE": 0.37, "potency_term": 0.405, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.09, "target_engagement": 0.405}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.402, "cyp3a4-substrate-carbonmangels": 0.062, "ld50-zhu": 0.383, "herg": 0.3, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.400096361398022, "aff_pf": -0.2159410665432612, "aff_hs": -0.03563769037524859, "repeats_pf": {"runs": 3, "values": [-0.2068, -0.2583, -0.1827], "mean": -0.2159, "spread": 0.0756}, "repeats_hs": {"runs": 3, "values": [-0.0295, -0.0274, -0.05], "mean": -0.0356, "spread": 0.0226}, "at": 1787153633}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148035, "scored_at": 1787153633, "alerts": [], "rank": 4104}, {"candidate_id": "ODC-376B65", "res_at": 1789020664, "skeleton": "GFDRKJWIPOTGST", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)cc1I", "total": 29.333, "axes": {"activity": 14.26, "binding": 5.01, "selectivity": 1.12, "admet": 3.36, "novelty": 3.36, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 5.75, "LE": 0.343, "potency_term": 0.251, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.205, "cyp2c9-veith": 0.33, "cyp3a4-substrate-carbonmangels": 0.665, "ld50-zhu": 0.228, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.4558961312047884, "aff_pf": 0.24775690833727518, "aff_hs": 0.6962870955467224, "repeats_pf": {"runs": 3, "values": [0.1282, 0.3523, 0.2629], "mean": 0.2478, "spread": 0.2241}, "repeats_hs": {"runs": 3, "values": [0.7019, 0.6615, 0.7255], "mean": 0.6963, "spread": 0.0639}, "at": 1789020664}, "tier": 1, "alerts": [], "total_sd": 0.59, "total_ci95": [28.283, 30.679], "relegate_reason": [], "submitted_at": 1789019965, "scored_at": 1789020664, "rank": 4105}, {"candidate_id": "ODC-8EE4E7", "res_at": 1787085580, "skeleton": "KVSIBUTWLXWXHY", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 29.292, "axes": {"activity": 12.11, "binding": 7.48, "selectivity": 4.0, "admet": 1.63, "novelty": 2.24, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 6.12, "LE": 0.3, "potency_term": 0.374, "efficiency_cap": 0.999}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.374}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.475, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.693, "ld50-zhu": 0.431, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 5.326673463455449, "aff_pf": -0.12347915768623352, "aff_hs": 0.9458960294723511, "repeats_pf": {"runs": 3, "values": [-0.1635, -0.1176, -0.0894], "mean": -0.1235, "spread": 0.0741}, "repeats_hs": {"runs": 3, "values": [0.9569, 0.8806, 1.0002], "mean": 0.9459, "spread": 0.1196}, "at": 1787085580}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074160, "scored_at": 1787085580, "alerts": [], "rank": 4106}, {"candidate_id": "ODC-B00767", "res_at": 1787252802, "skeleton": "PLQUFLHFPRZLFD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 29.288, "axes": {"activity": 7.02, "binding": 9.8, "selectivity": 3.28, "admet": 3.66, "novelty": 3.36, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.021, "fraction": 0.234}, "binding": {"pIC50": 6.47, "LE": 0.369, "potency_term": 0.49, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.49}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.213, "ld50-zhu": 0.496, "herg": 0.576, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.021047341784349, "aff_pf": -0.47019914786020917, "aff_hs": 0.1998688131570816, "repeats_pf": {"runs": 3, "values": [-0.5269, -0.4097, -0.474], "mean": -0.4702, "spread": 0.1172}, "repeats_hs": {"runs": 3, "values": [0.234, 0.1378, 0.2277], "mean": 0.1999, "spread": 0.0962}, "at": 1787252802}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246724, "scored_at": 1787252802, "alerts": [], "rank": 4107}, {"candidate_id": "ODC-20437B", "res_at": 1786857735, "skeleton": "TXZNDCMHCUYYKF", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)c2n1", "total": 29.271, "axes": {"activity": 8.08, "binding": 10.59, "selectivity": 1.6, "admet": 3.24, "novelty": 3.42, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.085, "fraction": 0.269}, "binding": {"pIC50": 6.59, "LE": 0.376, "potency_term": 0.529, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.152, "target_engagement": 0.529}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.32, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.084510690188442, "aff_pf": -0.5879167517026266, "aff_hs": -0.28480292359987897, "repeats_pf": {"runs": 3, "values": [-0.6048, -0.6175, -0.5414], "mean": -0.5879, "spread": 0.076}, "repeats_hs": {"runs": 3, "values": [-0.3268, -0.2745, -0.2531], "mean": -0.2848, "spread": 0.0737}, "at": 1786857735}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849021, "scored_at": 1786857735, "alerts": [], "rank": 4108}, {"candidate_id": "ODC-0387AC", "res_at": 1786987156, "skeleton": "ABYGIGQPLFZEPQ", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.27, "axes": {"activity": 9.6, "binding": 9.04, "selectivity": 3.52, "admet": 3.09, "novelty": 1.86, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.176, "fraction": 0.32}, "binding": {"pIC50": 6.36, "LE": 0.415, "potency_term": 0.452, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.267, "ld50-zhu": 0.304, "herg": 0.215, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.588, "novelty": 0.412}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "2", "pAct_q10": 5.175874979965085, "aff_pf": -0.3562852442264557, "aff_hs": 0.42177507281303406, "repeats_pf": {"runs": 3, "values": [-0.4332, -0.3326, -0.3031], "mean": -0.3563, "spread": 0.1302}, "repeats_hs": {"runs": 3, "values": [0.5338, 0.4109, 0.3206], "mean": 0.4218, "spread": 0.2132}, "at": 1786987156}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980835, "scored_at": 1786987156, "alerts": [], "rank": 4109}, {"candidate_id": "ODC-6F5DB8", "res_at": 1787101853, "skeleton": "CAROZAFOSLFMPM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.257, "axes": {"activity": 18.82, "binding": 2.09, "selectivity": 0.0, "admet": 1.93, "novelty": 3.47, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.729, "fraction": 0.627}, "binding": {"pIC50": 5.48, "LE": 0.197, "potency_term": 0.159, "efficiency_cap": 0.658}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.159}, "admet": {"geometric_mean": 0.205, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.385, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.729006358575323, "aff_pf": 0.5241453498601913, "aff_hs": -0.45966045061747235, "repeats_pf": {"runs": 3, "values": [0.0028, 1.1037, 0.466], "mean": 0.5241, "spread": 1.1009}, "repeats_hs": {"runs": 3, "values": [-0.5346, -0.4413, -0.4031], "mean": -0.4597, "spread": 0.1316}, "at": 1787101853}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101079, "scored_at": 1787101853, "alerts": [], "rank": 4110}, {"candidate_id": "ODC-9815CB", "res_at": 1787353586, "skeleton": "NINSXGQCPXQSFK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 29.25, "axes": {"activity": 18.63, "binding": 1.12, "selectivity": 0.0, "admet": 3.11, "novelty": 4.11, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.718, "fraction": 0.621}, "binding": {"pIC50": 4.96, "LE": 0.184, "potency_term": 0.091, "efficiency_cap": 0.613}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 0.718, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.748, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.539, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.717592332309924, "aff_pf": 1.0366045236587524, "aff_hs": 0.5788818995157877, "repeats_pf": {"runs": 3, "values": [1.0326, 1.0788, 0.9984], "mean": 1.0366, "spread": 0.0803}, "repeats_hs": {"runs": 3, "values": [0.3801, 0.7574, 0.5991], "mean": 0.5789, "spread": 0.3773}, "at": 1787353586}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347791, "scored_at": 1787353586, "alerts": [], "rank": 4111}, {"candidate_id": "ODC-948846", "res_at": 1787239299, "skeleton": "BPLGYKJMSOXXEG", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 29.247, "axes": {"activity": 19.82, "binding": 0.24, "selectivity": 0.09, "admet": 2.54, "novelty": 3.25, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 5.789, "fraction": 0.661}, "binding": {"pIC50": 5.05, "LE": 0.21, "potency_term": 0.017, "efficiency_cap": 0.699}, "selectivity": {"fold": 3.3, "selectivity_term": 0.257, "target_engagement": 0.017}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.074, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.864, "ld50-zhu": 0.371, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.789129090093109, "aff_pf": 0.9476940035820007, "aff_hs": 1.4614030520121257, "repeats_pf": {"runs": 3, "values": [0.9892, 0.9523, 0.9016], "mean": 0.9477, "spread": 0.0876}, "repeats_hs": {"runs": 3, "values": [1.4808, 1.4621, 1.4413], "mean": 1.4614, "spread": 0.0395}, "at": 1787239299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234356, "scored_at": 1787239299, "alerts": [], "rank": 4112}, {"candidate_id": "ODC-6FF83F", "res_at": 1789919288, "skeleton": "NTFWQFIAFMCANC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········nc2c1", "total": 29.247, "axes": {"activity": 14.93, "binding": 6.71, "selectivity": 0.38, "admet": 2.18, "novelty": 2.56, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 6.24, "LE": 0.244, "potency_term": 0.412, "efficiency_cap": 0.814}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.6, "ld50-zhu": 0.354, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "2", "pAct_q10": 5.496099343538681, "aff_pf": -0.2366891403992971, "aff_hs": -0.1448502540588379, "repeats_pf": {"runs": 3, "values": [-0.3972, -0.2413, -0.0715], "mean": -0.2367, "spread": 0.3258}, "repeats_hs": {"runs": 3, "values": [0.1066, -0.3584, -0.1828], "mean": -0.1449, "spread": 0.465}, "at": 1789919288}, "tier": 1, "alerts": [], "total_sd": 0.849, "total_ci95": [27.901, 31.178], "relegate_reason": [], "submitted_at": 1789907282, "scored_at": 1789919288, "rank": 4113}, {"candidate_id": "ODC-7A97D7", "res_at": 1788055822, "skeleton": "DLYXDWJRMYJMGP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 29.223, "axes": {"activity": 11.33, "binding": 7.79, "selectivity": 2.31, "admet": 4.06, "novelty": 2.04, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 6.17, "LE": 0.338, "potency_term": 0.389, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.297, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.695, "per_endpoint": {"solubility-aqsoldb": 0.716, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.89, "cyp3a4-substrate-carbonmangels": 0.845, "ld50-zhu": 0.325, "herg": 0.562, "dili": 0.809}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.279909393930829, "aff_pf": -0.16798300544420877, "aff_hs": 0.42523900667826336, "repeats_pf": {"runs": 3, "values": [-0.1891, -0.1578, -0.157], "mean": -0.168, "spread": 0.0322}, "repeats_hs": {"runs": 3, "values": [0.409, 0.5632, 0.3035], "mean": 0.4252, "spread": 0.2597}, "at": 1788055822}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.291, "total_ci95": [28.688, 29.965], "relegate_reason": [], "submitted_at": 1788007050, "scored_at": 1788055822, "rank": 4114}, {"candidate_id": "ODC-1BE31F", "res_at": 1787258920, "skeleton": "HUCYPTRGVOQNMR", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-Q04", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNCc··········2F)n1", "total": 29.22, "axes": {"activity": 18.48, "binding": 0.87, "selectivity": 0.0, "admet": 2.87, "novelty": 4.13, "synthesis": 2.87}, "detail": {"activity": {"pAct_q10": 5.709, "fraction": 0.616}, "binding": {"pIC50": 4.84, "LE": 0.195, "potency_term": 0.067, "efficiency_cap": 0.65}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.26, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.509, "herg": 0.05, "dili": 0.284}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.708502239009413, "aff_pf": 1.1595332622528076, "aff_hs": 1.7132128079732258, "repeats_pf": {"runs": 3, "values": [1.0812, 1.0603, 1.3372], "mean": 1.1595, "spread": 0.2769}, "repeats_hs": {"runs": 3, "values": [1.5987, 1.7268, 1.8141], "mean": 1.7132, "spread": 0.2155}, "at": 1787258920}, "tier": 1, "relegate_reason": [], "submitted_at": 1787258718, "scored_at": 1787258920, "alerts": [], "rank": 4115}, {"candidate_id": "ODC-BC810B", "res_at": 1786870294, "skeleton": "JPTTVPGOHCTWFY", "hf_user": "DOATC", "display_name": "SOL_OPENAI_RETAKE_01", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Br", "total": 29.22, "axes": {"activity": 7.61, "binding": 12.62, "selectivity": 0.98, "admet": 2.79, "novelty": 2.22, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.056, "fraction": 0.254}, "binding": {"pIC50": 6.89, "LE": 0.411, "potency_term": 0.631, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.077, "target_engagement": 0.631}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.188, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.056472471361079, "aff_pf": -0.8926260471343994, "aff_hs": -0.7378542423248291, "repeats_pf": {"runs": 3, "values": [-0.8671, -0.9016, -0.9091], "mean": -0.8926, "spread": 0.042}, "repeats_hs": {"runs": 3, "values": [-0.769, -0.7897, -0.6548], "mean": -0.7379, "spread": 0.1348}, "at": 1786870294}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865130, "scored_at": 1786870294, "alerts": [], "rank": 4116}, {"candidate_id": "ODC-DC3E8A", "res_at": 1787972651, "skeleton": "CVQHGUIINMKDOT", "hf_user": "Bio-JS", "display_name": "C x 팔4 C-연결 싸이오피란다이옥사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1sc2c··········2)cc1", "total": 29.164, "axes": {"activity": 13.91, "binding": 7.92, "selectivity": 0.0, "admet": 2.09, "novelty": 3.4, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.434, "fraction": 0.464}, "binding": {"pIC50": 6.48, "LE": 0.24, "potency_term": 0.495, "efficiency_cap": 0.8}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.495}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.446, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.434304603207945, "aff_pf": -0.48404763142267865, "aff_hs": -0.861916979153951, "repeats_pf": {"runs": 3, "values": [-0.6015, -0.6508, -0.1999], "mean": -0.484, "spread": 0.451}, "repeats_hs": {"runs": 3, "values": [-0.7626, -0.9022, -0.921], "mean": -0.8619, "spread": 0.1584}, "at": 1787972651}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967350, "scored_at": 1787972651, "alerts": [], "rank": 4117}, {"candidate_id": "ODC-25489D", "res_at": 1787370787, "skeleton": "QRUZHKIONSQSSZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 29.156, "axes": {"activity": 14.88, "binding": 4.33, "selectivity": 0.0, "admet": 4.6, "novelty": 3.63, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.493, "fraction": 0.496}, "binding": {"pIC50": 5.7, "LE": 0.279, "potency_term": 0.233, "efficiency_cap": 0.929}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.233}, "admet": {"geometric_mean": 0.618, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.904, "cyp2c9-veith": 0.903, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.843, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.492860631196879, "aff_pf": 0.30166922012964886, "aff_hs": 0.28078748285770416, "repeats_pf": {"runs": 3, "values": [0.2714, 0.3259, 0.3076], "mean": 0.3017, "spread": 0.0545}, "repeats_hs": {"runs": 3, "values": [0.2472, 0.3541, 0.2411], "mean": 0.2808, "spread": 0.113}, "at": 1787370787}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364958, "scored_at": 1787370787, "alerts": [], "rank": 4118}, {"candidate_id": "ODC-C1FCF2", "res_at": 1786927772, "skeleton": "NABSUTVNQUIKPO", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-009 diagnostic 80-target", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 29.126, "axes": {"activity": 18.38, "binding": 1.29, "selectivity": 0.05, "admet": 2.74, "novelty": 3.85, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 5.703, "fraction": 0.613}, "binding": {"pIC50": 5.26, "LE": 0.225, "potency_term": 0.086, "efficiency_cap": 0.75}, "selectivity": {"fold": 1.2, "selectivity_term": 0.031, "target_engagement": 0.086}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.567, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.703019919518006, "aff_pf": 0.7415175239245096, "aff_hs": 0.8040475447972616, "repeats_pf": {"runs": 3, "values": [0.736, 0.6934, 0.7951], "mean": 0.7415, "spread": 0.1018}, "repeats_hs": {"runs": 3, "values": [0.711, 0.8616, 0.8395], "mean": 0.804, "spread": 0.1506}, "at": 1786927772}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924473, "scored_at": 1786927772, "alerts": [], "rank": 4119}, {"candidate_id": "ODC-A40470", "res_at": 1786861011, "skeleton": "MUPMOKBLWDDWDT", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G5-PyCl", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.124, "axes": {"activity": 11.77, "binding": 8.31, "selectivity": 1.41, "admet": 3.99, "novelty": 1.79, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 6.25, "LE": 0.428, "potency_term": 0.415, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.17, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.64, "per_endpoint": {"solubility-aqsoldb": 0.525, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.422, "herg": 0.959, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.306475631087982, "aff_pf": -0.2461594839890798, "aff_hs": 0.09425018231074016, "repeats_pf": {"runs": 3, "values": [-0.285, -0.1715, -0.2819], "mean": -0.2462, "spread": 0.1135}, "repeats_hs": {"runs": 3, "values": [0.2337, 0.0291, 0.0199], "mean": 0.0943, "spread": 0.2138}, "at": 1786861011}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854160, "scored_at": 1786861011, "alerts": [], "rank": 4120}, {"candidate_id": "ODC-992E91", "res_at": 1788941329, "skeleton": "CMAKXIRVELMMBF", "hf_user": "trblnfxn", "display_name": "NC-OPT-07", "model_name": "Hermes-NewCore-Pareto-v1", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········C(F)F", "total": 29.121, "axes": {"activity": 13.28, "binding": 6.49, "selectivity": 1.76, "admet": 2.72, "novelty": 2.85, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.397, "fraction": 0.443}, "binding": {"pIC50": 6.11, "LE": 0.262, "potency_term": 0.372, "efficiency_cap": 0.873}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.783, "cyp2c9-veith": 0.603, "cyp3a4-substrate-carbonmangels": 0.54, "ld50-zhu": 0.475, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.3967215469847485, "aff_pf": -0.1147878070672353, "aff_hs": 0.3581470847129822, "repeats_pf": {"runs": 3, "values": [-0.0814, -0.2122, -0.0508], "mean": -0.1148, "spread": 0.1614}, "repeats_hs": {"runs": 3, "values": [0.5015, 0.2988, 0.2741], "mean": 0.3581, "spread": 0.2275}, "at": 1788941329}, "tier": 1, "alerts": [], "total_sd": 0.517, "total_ci95": [28.24, 30.38], "relegate_reason": [], "submitted_at": 1788938462, "scored_at": 1788941329, "rank": 4121}, {"candidate_id": "ODC-84986F", "res_at": 1789996348, "skeleton": "JGUUEHAMRVCLKL", "hf_user": "Bio-JS", "display_name": "0921-S1-19", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········)n2n1", "total": 29.117, "axes": {"activity": 12.66, "binding": 8.58, "selectivity": 1.89, "admet": 2.68, "novelty": 1.4, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 6.29, "LE": 0.331, "potency_term": 0.429, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.796, "ld50-zhu": 0.609, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.35937622951075, "aff_pf": -0.2876800199349721, "aff_hs": 0.15290745596090952, "repeats_pf": {"runs": 3, "values": [-0.1903, -0.3231, -0.3496], "mean": -0.2877, "spread": 0.1593}, "repeats_hs": {"runs": 3, "values": [0.0917, 0.262, 0.105], "mean": 0.1529, "spread": 0.1703}, "at": 1789996348}, "tier": 1, "alerts": [], "total_sd": 0.668, "total_ci95": [28.061, 30.443], "relegate_reason": [], "submitted_at": 1789990293, "scored_at": 1789996348, "rank": 4122}, {"candidate_id": "ODC-DA0B04", "res_at": 1789910966, "skeleton": "VMSOSSRMJPQSPU", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········nc2n1", "total": 29.113, "axes": {"activity": 10.85, "binding": 7.58, "selectivity": 4.33, "admet": 2.59, "novelty": 2.05, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 6.14, "LE": 0.366, "potency_term": 0.379, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.558, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.28, "herg": 0.6, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.250820473899853, "aff_pf": -0.1368581379453341, "aff_hs": 1.0056324402491252, "repeats_pf": {"runs": 3, "values": [-0.1276, -0.0323, -0.2506], "mean": -0.1369, "spread": 0.2184}, "repeats_hs": {"runs": 3, "values": [1.0559, 1.0512, 0.9097], "mean": 1.0056, "spread": 0.1462}, "at": 1789910966}, "tier": 1, "alerts": [], "total_sd": 1.006, "total_ci95": [27.534, 31.414], "relegate_reason": [], "submitted_at": 1789829728, "scored_at": 1789910966, "rank": 4123}, {"candidate_id": "ODC-B0EF35", "res_at": 1787890053, "skeleton": "YARUNGBOUMZABD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-05", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 29.11, "axes": {"activity": 13.92, "binding": 8.11, "selectivity": 0.0, "admet": 1.92, "novelty": 3.39, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.435, "fraction": 0.464}, "binding": {"pIC50": 6.41, "LE": 0.258, "potency_term": 0.471, "efficiency_cap": 0.861}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.471}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.11, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.271, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.711, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 5.435446702112746, "aff_pf": -0.41284799079100293, "aff_hs": -0.43948690096537274, "repeats_pf": {"runs": 3, "values": [-0.4897, -0.2434, -0.5055], "mean": -0.4128, "spread": 0.2621}, "repeats_hs": {"runs": 3, "values": [-0.5622, -0.5031, -0.2532], "mean": -0.4395, "spread": 0.309}, "at": 1787890053}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841173, "scored_at": 1787890053, "alerts": [], "rank": 4124}, {"candidate_id": "ODC-D3C368", "res_at": 1788804803, "skeleton": "SAYBTWNKELEPDY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 29.109, "axes": {"activity": 10.89, "binding": 8.05, "selectivity": 4.98, "admet": 2.34, "novelty": 1.68, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 6.23, "LE": 0.294, "potency_term": 0.41, "efficiency_cap": 0.981}, "selectivity": {"fold": 16.3, "selectivity_term": 0.607, "target_engagement": 0.41}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.201, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 1.0, "dili": 0.462}}, "novelty": {"max_tanimoto": 0.583, "novelty": 0.417}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "0", "pAct_q10": 5.253397253098247, "aff_pf": -0.23045417666435242, "aff_hs": 0.9828837911287943, "repeats_pf": {"runs": 3, "values": [-0.2797, -0.2394, -0.1722], "mean": -0.2305, "spread": 0.1076}, "repeats_hs": {"runs": 3, "values": [0.9257, 1.0249, 0.998], "mean": 0.9829, "spread": 0.0992}, "at": 1788804803}, "tier": 1, "alerts": [], "total_sd": 0.541, "total_ci95": [27.995, 30.157], "relegate_reason": [], "submitted_at": 1788735444, "scored_at": 1788804803, "rank": 4125}, {"candidate_id": "ODC-E1D744", "res_at": 1789909520, "skeleton": "VOMKDKZIOBUTBE", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 29.101, "axes": {"activity": 8.4, "binding": 9.36, "selectivity": 4.68, "admet": 3.14, "novelty": 1.22, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.104, "fraction": 0.28}, "binding": {"pIC50": 6.4, "LE": 0.399, "potency_term": 0.468, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.0, "selectivity_term": 0.5, "target_engagement": 0.468}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.456, "herg": 0.246, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.74, "novelty": 0.26}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "2", "pAct_q10": 5.103837842356678, "aff_pf": -0.4040557344754537, "aff_hs": 0.5964440306027731, "repeats_pf": {"runs": 3, "values": [-0.4282, -0.4546, -0.3294], "mean": -0.4041, "spread": 0.1253}, "repeats_hs": {"runs": 3, "values": [0.6759, 0.619, 0.4945], "mean": 0.5964, "spread": 0.1814}, "at": 1789909520}, "tier": 1, "alerts": [], "total_sd": 0.588, "total_ci95": [28.022, 30.201], "relegate_reason": [], "submitted_at": 1789829686, "scored_at": 1789909520, "rank": 4126}, {"candidate_id": "ODC-71F66F", "res_at": 1787253183, "skeleton": "XODPFJOUFOCKEI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 29.1, "axes": {"activity": 12.97, "binding": 6.81, "selectivity": 2.01, "admet": 2.44, "novelty": 2.98, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 6.02, "LE": 0.317, "potency_term": 0.34, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.103, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.752, "cyp2c9-veith": 0.298, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.538, "herg": 0.07, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.378019795305472, "aff_pf": -0.021114617586135864, "aff_hs": 0.5697130163510641, "repeats_pf": {"runs": 3, "values": [-0.0568, -0.0168, 0.0103], "mean": -0.0211, "spread": 0.067}, "repeats_hs": {"runs": 3, "values": [0.5819, 0.5655, 0.5617], "mean": 0.5697, "spread": 0.0202}, "at": 1787253183}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246739, "scored_at": 1787253183, "alerts": [], "rank": 4127}, {"candidate_id": "ODC-99F9C3", "res_at": 1789871823, "skeleton": "WFZUVNCHOXWMPH", "hf_user": "Bio-JS", "display_name": "0917-S1-div05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 29.095, "axes": {"activity": 16.74, "binding": 1.57, "selectivity": 0.0, "admet": 4.83, "novelty": 3.54, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.605, "fraction": 0.558}, "binding": {"pIC50": 5.25, "LE": 0.277, "potency_term": 0.085, "efficiency_cap": 0.923}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.085}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.705, "cyp3a4-substrate-carbonmangels": 0.88, "ld50-zhu": 0.74, "herg": 0.216, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.604506004753854, "aff_pf": 0.745063841342926, "aff_hs": 0.3184041678905487, "repeats_pf": {"runs": 3, "values": [0.7915, 0.8668, 0.5768], "mean": 0.7451, "spread": 0.29}, "repeats_hs": {"runs": 3, "values": [0.3132, 0.3326, 0.3094], "mean": 0.3184, "spread": 0.0232}, "at": 1789871823}, "tier": 1, "alerts": [], "total_sd": 0.465, "total_ci95": [28.327, 30.213], "relegate_reason": [], "submitted_at": 1789628560, "scored_at": 1789871823, "rank": 4128}, {"candidate_id": "ODC-1B199B", "res_at": 1786961890, "skeleton": "RKYJOKWCPQLDTB", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········C1CC1", "total": 29.083, "axes": {"activity": 11.64, "binding": 7.91, "selectivity": 1.6, "admet": 3.63, "novelty": 2.62, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.298, "fraction": 0.388}, "binding": {"pIC50": 6.19, "LE": 0.314, "potency_term": 0.395, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.203, "target_engagement": 0.395}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.911, "herg": 0.274, "dili": 0.706}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.29832761552838, "aff_pf": -0.18618619938691458, "aff_hs": 0.21905464927355447, "repeats_pf": {"runs": 3, "values": [-0.1035, -0.2339, -0.2212], "mean": -0.1862, "spread": 0.1305}, "repeats_hs": {"runs": 3, "values": [0.3061, 0.1081, 0.243], "mean": 0.2191, "spread": 0.198}, "at": 1786961890}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959842, "scored_at": 1786961890, "alerts": [], "rank": 4129}, {"candidate_id": "ODC-C2CB0E", "res_at": 1788916706, "skeleton": "MXYWVJUKRZHASF", "hf_user": "Bio-JS", "display_name": "0909-S1-22", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········)n2n1", "total": 29.082, "axes": {"activity": 12.76, "binding": 7.12, "selectivity": 1.02, "admet": 3.67, "novelty": 2.75, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 6.07, "LE": 0.346, "potency_term": 0.356, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.144, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.928, "cyp3a4-substrate-carbonmangels": 0.647, "ld50-zhu": 0.372, "herg": 0.835, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.365391718384874, "aff_pf": -0.06820220003525417, "aff_hs": 0.2195534110069275, "repeats_pf": {"runs": 3, "values": [-0.1303, -0.1046, 0.0303], "mean": -0.0682, "spread": 0.1606}, "repeats_hs": {"runs": 3, "values": [0.2392, 0.2436, 0.1759], "mean": 0.2196, "spread": 0.0677}, "at": 1788916706}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [28.416, 29.784], "relegate_reason": [], "submitted_at": 1788903013, "scored_at": 1788916706, "rank": 4130}, {"candidate_id": "ODC-90D3AA", "res_at": 1787348961, "skeleton": "RCCLSLKTVLVNRK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 29.077, "axes": {"activity": 18.45, "binding": 2.03, "selectivity": 0.0, "admet": 2.78, "novelty": 3.56, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.707, "fraction": 0.615}, "binding": {"pIC50": 5.44, "LE": 0.207, "potency_term": 0.147, "efficiency_cap": 0.69}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.147}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.439, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.788, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.462, "herg": 0.05, "dili": 0.642}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.706894752291623, "aff_pf": 0.5592595040798187, "aff_hs": -0.19400722781817117, "repeats_pf": {"runs": 3, "values": [0.4395, 0.623, 0.6153], "mean": 0.5593, "spread": 0.1835}, "repeats_hs": {"runs": 3, "values": [-0.3047, -0.207, -0.0703], "mean": -0.194, "spread": 0.2344}, "at": 1787348961}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347624, "scored_at": 1787348961, "alerts": [], "rank": 4131}, {"candidate_id": "ODC-289A7B", "res_at": 1787897811, "skeleton": "UGPQOMPTEYZTBO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-28", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 29.076, "axes": {"activity": 13.27, "binding": 6.58, "selectivity": 2.36, "admet": 2.62, "novelty": 2.28, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.396, "fraction": 0.442}, "binding": {"pIC50": 6.07, "LE": 0.277, "potency_term": 0.356, "efficiency_cap": 0.924}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.974, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.593, "herg": 0.241, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.396426064117352, "aff_pf": -0.06871925418575604, "aff_hs": 0.5940919717152914, "repeats_pf": {"runs": 3, "values": [-0.251, 0.0914, -0.0466], "mean": -0.0687, "spread": 0.3424}, "repeats_hs": {"runs": 3, "values": [0.639, 0.5945, 0.5488], "mean": 0.5941, "spread": 0.0901}, "at": 1787897811}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841488, "scored_at": 1787897811, "alerts": [], "rank": 4132}, {"candidate_id": "ODC-433FEB", "res_at": 1786867352, "skeleton": "XVMVRHBJNJUFMK", "hf_user": "DOATC", "display_name": "SOL_AGG70_COREHOP_NOF", "model_name": "OpenAI gPT-5.6 쏠", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 29.076, "axes": {"activity": 1.93, "binding": 10.85, "selectivity": 6.58, "admet": 4.32, "novelty": 2.86, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 4.716, "fraction": 0.064}, "binding": {"pIC50": 6.63, "LE": 0.454, "potency_term": 0.542, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.453, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.247, "cyp3a4-substrate-carbonmangels": 0.88, "ld50-zhu": 0.218, "herg": 0.857, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.472, "novelty": 0.528}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 4.715922238492746, "aff_pf": -0.6268035769462585, "aff_hs": 0.5860759019851685, "repeats_pf": {"runs": 3, "values": [-0.7002, -0.6487, -0.5316], "mean": -0.6268, "spread": 0.1686}, "repeats_hs": {"runs": 3, "values": [0.5825, 0.5251, 0.6506], "mean": 0.5861, "spread": 0.1256}, "at": 1786867352}, "tier": 1, "relegate_reason": [], "submitted_at": 1786861913, "scored_at": 1786867352, "alerts": [], "rank": 4133}, {"candidate_id": "ODC-5F3B32", "res_at": 1789956531, "skeleton": "HESCHFHGJIIVRP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 29.044, "axes": {"activity": 14.08, "binding": 6.15, "selectivity": 0.0, "admet": 3.81, "novelty": 3.33, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.445, "fraction": 0.469}, "binding": {"pIC50": 6.21, "LE": 0.23, "potency_term": 0.402, "efficiency_cap": 0.766}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.402}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.511, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.855, "cyp2c9-veith": 0.867, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.924, "herg": 0.05, "dili": 0.281}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 5.444609376617479, "aff_pf": -0.20529472827911377, "aff_hs": -0.5491615533828735, "repeats_pf": {"runs": 3, "values": [-0.2223, 0.1063, -0.4999], "mean": -0.2053, "spread": 0.6062}, "repeats_hs": {"runs": 3, "values": [-0.5051, -0.6217, -0.5207], "mean": -0.5492, "spread": 0.1166}, "at": 1789956531}, "tier": 1, "alerts": [], "total_sd": 0.902, "total_ci95": [27.223, 30.911], "relegate_reason": [], "submitted_at": 1789863668, "scored_at": 1789956531, "rank": 4134}, {"candidate_id": "ODC-0B6949", "res_at": 1788133088, "skeleton": "GHQQXJVSOQYVNL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 29.029, "axes": {"activity": 11.09, "binding": 10.4, "selectivity": 0.0, "admet": 2.33, "novelty": 3.05, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 6.56, "LE": 0.31, "potency_term": 0.52, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.52}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.599, "cyp2c9-veith": 0.06, "cyp3a4-substrate-carbonmangels": 0.373, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.265271995864551, "aff_pf": -0.5597296953201294, "aff_hs": -0.8132298787434896, "repeats_pf": {"runs": 3, "values": [-0.5351, -0.5835, -0.5606], "mean": -0.5597, "spread": 0.0483}, "repeats_hs": {"runs": 3, "values": [-0.7701, -0.8253, -0.8442], "mean": -0.8132, "spread": 0.0741}, "at": 1788133088}, "tier": 1, "alerts": [], "total_sd": 0.123, "total_ci95": [28.746, 29.302], "relegate_reason": [], "submitted_at": 1788132412, "scored_at": 1788133088, "rank": 4135}, {"candidate_id": "ODC-C4C238", "res_at": 1787199883, "skeleton": "FWAPJPAZESYGOE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-06-CF3-Probe", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 29.015, "axes": {"activity": 16.4, "binding": 1.94, "selectivity": 0.0, "admet": 4.84, "novelty": 3.86, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.584, "fraction": 0.547}, "binding": {"pIC50": 5.33, "LE": 0.261, "potency_term": 0.111, "efficiency_cap": 0.87}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.111}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 0.991, "pgp-broccatelli": 0.654, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.304, "ld50-zhu": 0.803, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 5.584110704759531, "aff_pf": 0.6661184430122375, "aff_hs": -0.023368869597713154, "repeats_pf": {"runs": 3, "values": [0.6537, 0.7488, 0.5958], "mean": 0.6661, "spread": 0.153}, "repeats_hs": {"runs": 3, "values": [-0.0454, -0.0406, 0.0158], "mean": -0.0234, "spread": 0.0612}, "at": 1787199883}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195553, "scored_at": 1787199883, "alerts": [], "rank": 4136}, {"candidate_id": "ODC-A64127", "res_at": 1786841150, "skeleton": "KDQAZKWASGPNFD", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········CC1=O", "total": 28.983, "axes": {"activity": 1.96, "binding": 13.22, "selectivity": 5.56, "admet": 4.95, "novelty": 0.0, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 4.429, "fraction": 0.065}, "binding": {"pIC50": 6.98, "LE": 0.435, "potency_term": 0.661, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.145, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "2", "pAct_q10": 4.429376060832315, "aff_pf": -0.982602616151174, "aff_hs": -0.141932542125384, "repeats_pf": {"runs": 3, "values": [-1.0443, -0.9452, -0.9583], "mean": -0.9826, "spread": 0.0991}, "repeats_hs": {"runs": 3, "values": [-0.1705, -0.1295, -0.1258], "mean": -0.1419, "spread": 0.0447}, "at": 1786841150}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1786805796, "scored_at": 1786841150, "rank": 4137}, {"candidate_id": "ODC-61BC33", "res_at": 1787085195, "skeleton": "VCJPMUOBTBYVSZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 28.98, "axes": {"activity": 15.36, "binding": 4.76, "selectivity": 1.14, "admet": 1.96, "novelty": 3.46, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.522, "fraction": 0.512}, "binding": {"pIC50": 5.83, "LE": 0.258, "potency_term": 0.277, "efficiency_cap": 0.859}, "selectivity": {"fold": 2.6, "selectivity_term": 0.206, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.255, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.411, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.521542307924272, "aff_pf": 0.16851268212000528, "aff_hs": 0.5799659291903178, "repeats_pf": {"runs": 3, "values": [0.068, 0.1329, 0.3046], "mean": 0.1685, "spread": 0.2366}, "repeats_hs": {"runs": 3, "values": [0.5878, 0.5265, 0.6256], "mean": 0.58, "spread": 0.0991}, "at": 1787085195}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074135, "scored_at": 1787085195, "alerts": [], "rank": 4138}, {"candidate_id": "ODC-3EBDFC", "res_at": 1787232390, "skeleton": "FYPZBZFXJUJJRA", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········H]1CO", "total": 28.948, "axes": {"activity": 17.71, "binding": 6.35, "selectivity": 0.07, "admet": 2.9, "novelty": 0.0, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.59}, "binding": {"pIC50": 6.15, "LE": 0.248, "potency_term": 0.384, "efficiency_cap": 0.826}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.866, "herg": 0.05, "dili": 0.744}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "3", "pAct_q10": 5.662558698152042, "aff_pf": -0.15203942358493805, "aff_hs": -0.13481615235408148, "repeats_pf": {"runs": 3, "values": [-0.0795, -0.1292, -0.2475], "mean": -0.152, "spread": 0.168}, "repeats_hs": {"runs": 3, "values": [-0.2887, 0.0174, -0.1331], "mean": -0.1348, "spread": 0.3061}, "at": 1787232390}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231861, "scored_at": 1787232390, "alerts": [], "rank": 4139}, {"candidate_id": "ODC-463984", "res_at": 1786899211, "skeleton": "ULPOTKUOWNRJDF", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-007 70-point QC gate", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 28.938, "axes": {"activity": 15.2, "binding": 5.32, "selectivity": 0.0, "admet": 3.68, "novelty": 2.62, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.512, "fraction": 0.507}, "binding": {"pIC50": 5.8, "LE": 0.331, "potency_term": 0.266, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.43, "ld50-zhu": 0.677, "herg": 0.398, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.511932354312177, "aff_pf": 0.2018542488416036, "aff_hs": -0.3771766821543376, "repeats_pf": {"runs": 3, "values": [0.1158, 0.1391, 0.3506], "mean": 0.2019, "spread": 0.2348}, "repeats_hs": {"runs": 3, "values": [-0.3373, -0.4182, -0.376], "mean": -0.3772, "spread": 0.0809}, "at": 1786899211}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886639, "scored_at": 1786899211, "alerts": [], "rank": 4140}, {"candidate_id": "ODC-FF32F7", "res_at": 1787625833, "skeleton": "DLQWBVZZIHZXLN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 28.936, "axes": {"activity": 0.61, "binding": 12.88, "selectivity": 5.71, "admet": 3.77, "novelty": 3.16, "synthesis": 2.81}, "detail": {"activity": {"pAct_q10": 4.637, "fraction": 0.02}, "binding": {"pIC50": 6.93, "LE": 0.365, "potency_term": 0.644, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.7, "selectivity_term": 0.444, "target_engagement": 0.644}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.945, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.726, "ld50-zhu": 0.49, "herg": 0.255, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.636614653773122, "aff_pf": -0.9317007263501486, "aff_hs": -0.044363019367059074, "repeats_pf": {"runs": 3, "values": [-0.9966, -0.9132, -0.8854], "mean": -0.9317, "spread": 0.1112}, "repeats_hs": {"runs": 3, "values": [-0.0655, -0.014, -0.0536], "mean": -0.0444, "spread": 0.0515}, "at": 1787625833}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621053, "scored_at": 1787625833, "alerts": [], "rank": 4141}, {"candidate_id": "ODC-C595D1", "res_at": 1786890161, "skeleton": "JUTGWCDAECRJPN", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········F)c1F", "total": 28.93, "axes": {"activity": 8.92, "binding": 8.79, "selectivity": 3.77, "admet": 2.55, "novelty": 3.06, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 6.32, "LE": 0.333, "potency_term": 0.44, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.457, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.1353849256905875, "aff_pf": -0.31885722279548645, "aff_hs": 0.5394223729769388, "repeats_pf": {"runs": 3, "values": [-0.3349, -0.1742, -0.4475], "mean": -0.3189, "spread": 0.2733}, "repeats_hs": {"runs": 3, "values": [0.5522, 0.608, 0.4581], "mean": 0.5394, "spread": 0.15}, "at": 1786890161}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881035, "scored_at": 1786890161, "alerts": [], "rank": 4142}, {"candidate_id": "ODC-55F928", "res_at": 1786938461, "skeleton": "OCVZMSMGCCRNLA", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cn1", "total": 28.902, "axes": {"activity": 6.6, "binding": 9.83, "selectivity": 3.66, "admet": 3.39, "novelty": 3.3, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 4.996, "fraction": 0.22}, "binding": {"pIC50": 6.48, "LE": 0.329, "potency_term": 0.492, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.372, "target_engagement": 0.492}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.559, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 4.995814386832213, "aff_pf": -0.4752258062362671, "aff_hs": 0.2689901491006215, "repeats_pf": {"runs": 3, "values": [-0.5589, -0.3959, -0.4709], "mean": -0.4752, "spread": 0.163}, "repeats_hs": {"runs": 3, "values": [0.2482, 0.2419, 0.3168], "mean": 0.269, "spread": 0.0749}, "at": 1786938461}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933380, "scored_at": 1786938461, "alerts": [], "rank": 4143}, {"candidate_id": "ODC-AF1B68", "res_at": 1787459332, "skeleton": "JABJMFAMFISHJA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1N=c2··········)F)O1", "total": 28.886, "axes": {"activity": 6.58, "binding": 10.98, "selectivity": 1.7, "admet": 4.9, "novelty": 3.37, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 4.995, "fraction": 0.219}, "binding": {"pIC50": 6.65, "LE": 0.304, "potency_term": 0.549, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.549}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.731, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.734, "cyp3a4-substrate-carbonmangels": 0.39, "ld50-zhu": 0.804, "herg": 0.14, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "3", "pAct_q10": 4.9948863105209975, "aff_pf": -0.6463292042414347, "aff_hs": -0.3357415596644084, "repeats_pf": {"runs": 3, "values": [-0.7188, -0.6156, -0.6046], "mean": -0.6463, "spread": 0.1142}, "repeats_hs": {"runs": 3, "values": [-0.3016, -0.2904, -0.4152], "mean": -0.3357, "spread": 0.1248}, "at": 1787459332}, "tier": 1, "relegate_reason": [], "submitted_at": 1787459148, "scored_at": 1787459332, "alerts": [], "rank": 4144}, {"candidate_id": "ODC-AC6289", "res_at": 1789966573, "skeleton": "SIRDLLTWLUAEPV", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)c2n1", "total": 28.88, "axes": {"activity": 15.62, "binding": 4.6, "selectivity": 1.24, "admet": 1.58, "novelty": 3.45, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.521}, "binding": {"pIC50": 5.9, "LE": 0.231, "potency_term": 0.299, "efficiency_cap": 0.769}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.299}, "admet": {"geometric_mean": 0.203, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.452, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.537393349257624, "aff_pf": 0.10345416764418285, "aff_hs": 0.5183250804742178, "repeats_pf": {"runs": 3, "values": [0.03, 0.2039, 0.0764], "mean": 0.1035, "spread": 0.174}, "repeats_hs": {"runs": 3, "values": [0.4953, 0.4812, 0.5784], "mean": 0.5183, "spread": 0.0972}, "at": 1789966573}, "tier": 1, "alerts": [], "total_sd": 0.476, "total_ci95": [27.829, 29.593], "relegate_reason": [], "submitted_at": 1789910885, "scored_at": 1789966573, "rank": 4145}, {"candidate_id": "ODC-22120E", "res_at": 1786870523, "skeleton": "GEDPXRIGFUEVBI", "hf_user": "DOATC", "display_name": "SOL_OPENAI_RETAKE_02", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Cl", "total": 28.872, "axes": {"activity": 6.45, "binding": 13.28, "selectivity": 0.0, "admet": 3.97, "novelty": 1.92, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 4.987, "fraction": 0.215}, "binding": {"pIC50": 6.99, "LE": 0.417, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.752, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.422, "herg": 0.05, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.712, "novelty": 0.288}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 4.98705445351986, "aff_pf": -0.9925983746846517, "aff_hs": -1.0414541562398274, "repeats_pf": {"runs": 3, "values": [-0.8912, -1.0234, -1.0632], "mean": -0.9926, "spread": 0.1721}, "repeats_hs": {"runs": 3, "values": [-1.1441, -1.0024, -0.9779], "mean": -1.0415, "spread": 0.1662}, "at": 1786870523}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865159, "scored_at": 1786870523, "alerts": [], "rank": 4146}, {"candidate_id": "ODC-95EF6C", "res_at": 1786968617, "skeleton": "QSUWUBBOMNKNTF", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 28.835, "axes": {"activity": 9.06, "binding": 12.48, "selectivity": 0.0, "admet": 2.92, "novelty": 2.48, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.144, "fraction": 0.302}, "binding": {"pIC50": 6.95, "LE": 0.288, "potency_term": 0.649, "efficiency_cap": 0.961}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.649}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.975, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.603, "novelty": 0.397}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "2", "pAct_q10": 5.143627412369699, "aff_pf": -0.9466785391171774, "aff_hs": -1.1526087522506714, "repeats_pf": {"runs": 3, "values": [-0.9235, -0.9737, -0.9428], "mean": -0.9467, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [-1.1705, -1.1411, -1.1462], "mean": -1.1526, "spread": 0.0294}, "at": 1786968617}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968301, "scored_at": 1786968617, "alerts": [], "rank": 4147}, {"candidate_id": "ODC-CDDD2E", "res_at": 1786900123, "skeleton": "MYHRXULDRFBJER", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········O)CC1", "total": 28.828, "axes": {"activity": 11.07, "binding": 9.46, "selectivity": 0.0, "admet": 3.47, "novelty": 3.05, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 6.42, "LE": 0.314, "potency_term": 0.473, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.679, "ld50-zhu": 0.737, "herg": 0.391, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "2", "pAct_q10": 5.264011010637967, "aff_pf": -0.4185648063818614, "aff_hs": -0.9875997304916382, "repeats_pf": {"runs": 3, "values": [-0.4349, -0.396, -0.4248], "mean": -0.4186, "spread": 0.0389}, "repeats_hs": {"runs": 3, "values": [-1.0189, -0.9528, -0.9911], "mean": -0.9876, "spread": 0.0661}, "at": 1786900123}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899087, "scored_at": 1786900123, "alerts": [], "rank": 4148}, {"candidate_id": "ODC-0588FA", "res_at": 1788451438, "skeleton": "JWMHYNYBFJTPHE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCC1=··········2)cc1", "total": 28.828, "axes": {"activity": 17.53, "binding": 2.18, "selectivity": 0.11, "admet": 2.57, "novelty": 4.03, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.652, "fraction": 0.584}, "binding": {"pIC50": 5.51, "LE": 0.193, "potency_term": 0.169, "efficiency_cap": 0.645}, "selectivity": {"fold": 1.2, "selectivity_term": 0.032, "target_engagement": 0.169}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.882, "ld50-zhu": 0.345, "herg": 0.106, "dili": 0.191}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.651835040598594, "aff_pf": 0.4923625389734904, "aff_hs": 0.5563404460748037, "repeats_pf": {"runs": 3, "values": [0.5126, 0.4484, 0.5161], "mean": 0.4924, "spread": 0.0677}, "repeats_hs": {"runs": 3, "values": [0.1929, 1.1827, 0.2934], "mean": 0.5563, "spread": 0.9898}, "at": 1788451438}, "tier": 1, "alerts": [], "total_sd": 0.302, "total_ci95": [28.614, 29.704], "relegate_reason": [], "submitted_at": 1788394093, "scored_at": 1788451438, "rank": 4149}, {"candidate_id": "ODC-574B2A", "res_at": 1789910711, "skeleton": "VEPMKOVHKRTZPH", "hf_user": "Bio-JS", "display_name": "0918-S1-div24", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 28.821, "axes": {"activity": 11.39, "binding": 7.19, "selectivity": 3.41, "admet": 2.94, "novelty": 2.35, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.283, "fraction": 0.38}, "binding": {"pIC50": 6.08, "LE": 0.333, "potency_term": 0.359, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.474, "target_engagement": 0.359}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.908, "cyp3a4-substrate-carbonmangels": 0.1, "ld50-zhu": 0.554, "herg": 0.263, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.28311212546702, "aff_pf": -0.07783396790424983, "aff_hs": 0.8709987998008728, "repeats_pf": {"runs": 3, "values": [-0.0804, -0.0658, -0.0873], "mean": -0.0778, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [0.7988, 0.8393, 0.975], "mean": 0.871, "spread": 0.1762}, "at": 1789910711}, "tier": 1, "alerts": [], "total_sd": 0.172, "total_ci95": [28.515, 29.194], "relegate_reason": [], "submitted_at": 1789687074, "scored_at": 1789910711, "rank": 4150}, {"candidate_id": "ODC-0FE4E7", "res_at": 1786859095, "skeleton": "QOVXLOHDKDHMAX", "hf_user": "scala39", "display_name": "scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 28.817, "axes": {"activity": 13.46, "binding": 6.16, "selectivity": 1.72, "admet": 3.65, "novelty": 1.86, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.408, "fraction": 0.449}, "binding": {"pIC50": 5.92, "LE": 0.386, "potency_term": 0.308, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.308}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.48, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.74, "cyp3a4-substrate-carbonmangels": 0.199, "ld50-zhu": 0.419, "herg": 0.514, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "2", "pAct_q10": 5.4076843079987205, "aff_pf": 0.07603816191355388, "aff_hs": 0.6335591077804565, "repeats_pf": {"runs": 3, "values": [0.0737, 0.0824, 0.0719], "mean": 0.076, "spread": 0.0105}, "repeats_hs": {"runs": 3, "values": [0.6475, 0.6203, 0.6329], "mean": 0.6336, "spread": 0.0272}, "at": 1786859095}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848715, "scored_at": 1786859095, "alerts": [], "rank": 4151}, {"candidate_id": "ODC-947816", "res_at": 1787224547, "skeleton": "PXVSXSKGEAUHIC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 28.797, "axes": {"activity": 9.0, "binding": 12.64, "selectivity": 0.0, "admet": 3.37, "novelty": 0.89, "synthesis": 2.9}, "detail": {"activity": {"pAct_q10": 5.14, "fraction": 0.3}, "binding": {"pIC50": 6.9, "LE": 0.337, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.252}}, "novelty": {"max_tanimoto": 0.86, "novelty": 0.14}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.139998826192687, "aff_pf": -0.8954456845919291, "aff_hs": -1.507800857226054, "repeats_pf": {"runs": 3, "values": [-0.7964, -1.0464, -0.8436], "mean": -0.8954, "spread": 0.25}, "repeats_hs": {"runs": 3, "values": [-1.5502, -1.495, -1.4782], "mean": -1.5078, "spread": 0.0721}, "at": 1787224547}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220808, "scored_at": 1787224547, "alerts": [], "rank": 4152}, {"candidate_id": "ODC-536FD7", "res_at": 1787047553, "skeleton": "BVSSNVRKKFAPCN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········CC1=O", "total": 28.794, "axes": {"activity": 3.37, "binding": 11.29, "selectivity": 5.28, "admet": 4.11, "novelty": 2.05, "synthesis": 2.69}, "detail": {"activity": {"pAct_q10": 4.802, "fraction": 0.112}, "binding": {"pIC50": 6.69, "LE": 0.417, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.468, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.73, "herg": 0.794, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "2", "pAct_q10": 4.802335809570506, "aff_pf": -0.6932899554570516, "aff_hs": 0.2428941031297048, "repeats_pf": {"runs": 3, "values": [-0.6267, -0.7032, -0.75], "mean": -0.6933, "spread": 0.1233}, "repeats_hs": {"runs": 3, "values": [0.2653, 0.2302, 0.2332], "mean": 0.2429, "spread": 0.0351}, "at": 1787047553}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787041373, "scored_at": 1787047553, "rank": 4153}, {"candidate_id": "ODC-B0B0F8", "res_at": 1789554610, "skeleton": "DZXRNEGIBWBKQQ", "hf_user": "Bio-JS", "display_name": "0916-S1-div24", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········c1C#N", "total": 28.792, "axes": {"activity": 13.85, "binding": 5.99, "selectivity": 1.16, "admet": 3.31, "novelty": 2.46, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 5.9, "LE": 0.337, "potency_term": 0.299, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.299}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.682, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.356, "herg": 0.426, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.430739885069405, "aff_pf": 0.10152377933263779, "aff_hs": 0.48939311504364014, "repeats_pf": {"runs": 3, "values": [0.1112, 0.1067, 0.0867], "mean": 0.1015, "spread": 0.0245}, "repeats_hs": {"runs": 3, "values": [0.4508, 0.5158, 0.5015], "mean": 0.4894, "spread": 0.065}, "at": 1789554610}, "tier": 1, "alerts": [], "total_sd": 0.08, "total_ci95": [28.652, 28.955], "relegate_reason": [], "submitted_at": 1789526910, "scored_at": 1789554610, "rank": 4154}, {"candidate_id": "ODC-BD60A5", "res_at": 1788792053, "skeleton": "OIAXOGICGHIZCU", "hf_user": "Bio-JS", "display_name": "0907-S1-12", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 28.791, "axes": {"activity": 11.56, "binding": 8.03, "selectivity": 2.64, "admet": 1.95, "novelty": 2.71, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.385}, "binding": {"pIC50": 6.3, "LE": 0.278, "potency_term": 0.433, "efficiency_cap": 0.928}, "selectivity": {"fold": 4.1, "selectivity_term": 0.305, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.738, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.293697819490238, "aff_pf": -0.29881398131450015, "aff_hs": 0.31060896813869476, "repeats_pf": {"runs": 3, "values": [-0.0622, -0.7053, -0.1289], "mean": -0.2988, "spread": 0.6431}, "repeats_hs": {"runs": 3, "values": [0.3564, 0.4117, 0.1637], "mean": 0.3106, "spread": 0.2481}, "at": 1788792053}, "tier": 1, "alerts": [], "total_sd": 3.02, "total_ci95": [25.496, 37.261], "relegate_reason": [], "submitted_at": 1788707708, "scored_at": 1788792053, "rank": 4155}, {"candidate_id": "ODC-6962ED", "res_at": 1787131907, "skeleton": "KNYAPZPJBSSLEY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 28.781, "axes": {"activity": 14.36, "binding": 5.78, "selectivity": 0.0, "admet": 3.44, "novelty": 2.95, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 6.09, "LE": 0.238, "potency_term": 0.364, "efficiency_cap": 0.795}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.364}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.347, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.734, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.461601384574439, "aff_pf": -0.09095315635204315, "aff_hs": -0.16246321300665537, "repeats_pf": {"runs": 3, "values": [0.4679, 0.0791, -0.8199], "mean": -0.091, "spread": 1.2877}, "repeats_hs": {"runs": 3, "values": [-0.4922, 0.0203, -0.0154], "mean": -0.1625, "spread": 0.5125}, "at": 1787131907}, "tier": 1, "relegate_reason": [], "submitted_at": 1787125181, "scored_at": 1787131907, "alerts": [], "rank": 4156}, {"candidate_id": "ODC-5739ED", "res_at": 1787160579, "skeleton": "XRCTVPHQGQCASO", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=S(=O)(NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(-c2ccc3[nH]cnc3c2)cc1", "smiles_masked": null, "total": 28.779, "axes": {"activity": 16.25, "binding": 4.14, "selectivity": 0.0, "admet": 2.47, "novelty": 3.21, "synthesis": 2.71}, "detail": {"activity": {"pAct_q10": 5.575, "fraction": 0.542}, "binding": {"pIC50": 5.84, "LE": 0.222, "potency_term": 0.28, "efficiency_cap": 0.741}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.28}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.246, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 5.574998436741446, "aff_pf": 0.16114049156506857, "aff_hs": -0.2830178340276082, "repeats_pf": {"runs": 3, "values": [0.0911, -0.0047, 0.397], "mean": 0.1611, "spread": 0.4017}, "repeats_hs": {"runs": 3, "values": [-0.285, -0.2445, -0.3196], "mean": -0.283, "spread": 0.0751}, "at": 1787160579}, "tier": 1, "relegate_reason": [], "submitted_at": 1787150347, "scored_at": 1787160579, "alerts": [], "rank": 4157}, {"candidate_id": "ODC-007EC9", "res_at": 1789081062, "skeleton": "AXCULNLIGAOPLX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 28.779, "axes": {"activity": 15.77, "binding": 3.38, "selectivity": 1.46, "admet": 2.72, "novelty": 3.79, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.546, "fraction": 0.526}, "binding": {"pIC50": 5.54, "LE": 0.281, "potency_term": 0.18, "efficiency_cap": 0.937}, "selectivity": {"fold": 6.4, "selectivity_term": 0.404, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.691, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.63, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "0", "pAct_q10": 5.54610277518171, "aff_pf": 0.45946510632832843, "aff_hs": 1.2682467699050903, "repeats_pf": {"runs": 3, "values": [0.4797, 0.4909, 0.4078], "mean": 0.4595, "spread": 0.0831}, "repeats_hs": {"runs": 3, "values": [1.2904, 1.4322, 1.0822], "mean": 1.2682, "spread": 0.35}, "at": 1789081062}, "tier": 1, "alerts": [], "total_sd": 0.289, "total_ci95": [28.269, 29.408], "relegate_reason": [], "submitted_at": 1789049973, "scored_at": 1789081062, "rank": 4158}, {"candidate_id": "ODC-80E1FA", "res_at": 1787375848, "skeleton": "JKQMGBXCEITUQW", "hf_user": "1Dmeds", "display_name": "ODC26-G07", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 28.759, "axes": {"activity": 15.76, "binding": 3.41, "selectivity": 1.35, "admet": 2.07, "novelty": 3.73, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 5.69, "LE": 0.223, "potency_term": 0.23, "efficiency_cap": 0.742}, "selectivity": {"fold": 3.9, "selectivity_term": 0.294, "target_engagement": 0.23}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.306}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.545484940935101, "aff_pf": 0.31109339992205304, "aff_hs": 0.8985769947369894, "repeats_pf": {"runs": 3, "values": [0.373, 0.217, 0.3433], "mean": 0.3111, "spread": 0.1561}, "repeats_hs": {"runs": 3, "values": [1.0477, 0.9005, 0.7475], "mean": 0.8986, "spread": 0.3002}, "at": 1787375848}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372683, "scored_at": 1787375848, "alerts": [], "rank": 4159}, {"candidate_id": "ODC-FDC785", "res_at": 1788977266, "skeleton": "SYRASZBYHKYTNK", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········Cl)c1", "total": 28.749, "axes": {"activity": 8.81, "binding": 8.93, "selectivity": 3.33, "admet": 2.59, "novelty": 2.85, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.129, "fraction": 0.294}, "binding": {"pIC50": 6.34, "LE": 0.378, "potency_term": 0.447, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.558, "herg": 0.422, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "0", "pAct_q10": 5.12884892885779, "aff_pf": -0.33979398012161255, "aff_hs": 0.4069499373435974, "repeats_pf": {"runs": 3, "values": [-0.2637, -0.337, -0.4187], "mean": -0.3398, "spread": 0.1549}, "repeats_hs": {"runs": 3, "values": [0.5535, 0.2662, 0.4011], "mean": 0.4069, "spread": 0.2873}, "at": 1788977266}, "tier": 1, "alerts": [], "total_sd": 0.639, "total_ci95": [27.51, 29.966], "relegate_reason": [], "submitted_at": 1788971766, "scored_at": 1788977266, "rank": 4160}, {"candidate_id": "ODC-CE9073", "res_at": 1786976716, "skeleton": "DIDFPXAVYZJYHW", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········cc2n1", "total": 28.734, "axes": {"activity": 7.24, "binding": 8.11, "selectivity": 5.53, "admet": 3.25, "novelty": 2.62, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.034, "fraction": 0.241}, "binding": {"pIC50": 6.22, "LE": 0.387, "potency_term": 0.406, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.406}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.761, "cyp3a4-substrate-carbonmangels": 0.241, "ld50-zhu": 0.389, "herg": 0.794, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "2", "pAct_q10": 5.034126587663914, "aff_pf": -0.21684491137663522, "aff_hs": 1.1457122564315796, "repeats_pf": {"runs": 3, "values": [-0.1978, -0.2035, -0.2492], "mean": -0.2168, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [1.1475, 1.1942, 1.0954], "mean": 1.1457, "spread": 0.0988}, "at": 1786976716}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975725, "scored_at": 1786976716, "alerts": [], "rank": 4161}, {"candidate_id": "ODC-480280", "res_at": 1788530729, "skeleton": "AGFISZCBSUFMMM", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 28.702, "axes": {"activity": 16.9, "binding": 3.11, "selectivity": 0.0, "admet": 2.88, "novelty": 3.34, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.614, "fraction": 0.563}, "binding": {"pIC50": 5.65, "LE": 0.215, "potency_term": 0.217, "efficiency_cap": 0.717}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.217}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.412, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.393, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.61404044204673, "aff_pf": 0.3493148386478424, "aff_hs": 0.226387749115626, "repeats_pf": {"runs": 3, "values": [0.3629, 0.0547, 0.6304], "mean": 0.3493, "spread": 0.5757}, "repeats_hs": {"runs": 3, "values": [0.2573, 0.2181, 0.2037], "mean": 0.2264, "spread": 0.0536}, "at": 1788530729}, "tier": 1, "alerts": [], "total_sd": 0.811, "total_ci95": [27.271, 30.887], "relegate_reason": [], "submitted_at": 1788489585, "scored_at": 1788530729, "rank": 4162}, {"candidate_id": "ODC-1C7F6B", "res_at": 1787050306, "skeleton": "VDCROMPWKWSKLU", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 28.701, "axes": {"activity": 12.37, "binding": 6.65, "selectivity": 4.21, "admet": 1.9, "novelty": 1.51, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 6.11, "LE": 0.27, "potency_term": 0.37, "efficiency_cap": 0.9}, "selectivity": {"fold": 13.8, "selectivity_term": 0.57, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.447, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.572, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 5.342200934750643, "aff_pf": -0.10851481308539708, "aff_hs": 1.0308353106180828, "repeats_pf": {"runs": 3, "values": [-0.0232, -0.1818, -0.1206], "mean": -0.1085, "spread": 0.1586}, "repeats_hs": {"runs": 3, "values": [1.1174, 0.9873, 0.9877], "mean": 1.0308, "spread": 0.1301}, "at": 1787050306}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044948, "scored_at": 1787050306, "alerts": [], "rank": 4163}, {"candidate_id": "ODC-2C72FE", "res_at": 1788795682, "skeleton": "OCKLXRDZTJRBNK", "hf_user": "Bio-JS", "display_name": "0907-S1-18", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 28.69, "axes": {"activity": 15.64, "binding": 4.2, "selectivity": 1.26, "admet": 2.57, "novelty": 2.44, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.538, "fraction": 0.521}, "binding": {"pIC50": 5.68, "LE": 0.278, "potency_term": 0.227, "efficiency_cap": 0.926}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.227}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.725, "ld50-zhu": 0.444, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.532, "novelty": 0.468}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 5.5381948255786835, "aff_pf": 0.3201455275217692, "aff_hs": 0.8745465874671936, "repeats_pf": {"runs": 3, "values": [0.1391, 0.3754, 0.446], "mean": 0.3201, "spread": 0.3069}, "repeats_hs": {"runs": 3, "values": [0.8223, 0.9881, 0.8133], "mean": 0.8745, "spread": 0.1748}, "at": 1788795682}, "tier": 1, "alerts": [], "total_sd": 0.867, "total_ci95": [27.496, 30.99], "relegate_reason": [], "submitted_at": 1788707741, "scored_at": 1788795682, "rank": 4164}, {"candidate_id": "ODC-855C99", "res_at": 1788442221, "skeleton": "ZLJKLKFSWBSUAK", "hf_user": "Bio-JS", "display_name": "0903-S1-30 oCN/cPr/morph", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 28.676, "axes": {"activity": 15.65, "binding": 5.14, "selectivity": 0.0, "admet": 1.98, "novelty": 3.65, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.539, "fraction": 0.522}, "binding": {"pIC50": 5.99, "LE": 0.234, "potency_term": 0.329, "efficiency_cap": 0.781}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.329}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.764, "herg": 0.05, "dili": 0.573}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.5389853685027495, "aff_pf": 0.013818621635437012, "aff_hs": -0.07488907997806867, "repeats_pf": {"runs": 3, "values": [0.0277, 0.1544, -0.1407], "mean": 0.0138, "spread": 0.2951}, "repeats_hs": {"runs": 3, "values": [-0.1483, 0.0027, -0.0791], "mean": -0.0749, "spread": 0.1509}, "at": 1788442221}, "tier": 1, "alerts": [], "total_sd": 0.457, "total_ci95": [27.84, 29.498], "relegate_reason": [], "submitted_at": 1788362996, "scored_at": 1788442221, "rank": 4165}, {"candidate_id": "ODC-D9F42E", "res_at": 1787065895, "skeleton": "LENURIHSVUZHFP", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LH03", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 28.664, "axes": {"activity": 12.46, "binding": 9.09, "selectivity": 1.14, "admet": 1.72, "novelty": 2.24, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.347, "fraction": 0.415}, "binding": {"pIC50": 6.36, "LE": 0.311, "potency_term": 0.455, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.125, "target_engagement": 0.455}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.065, "cyp3a4-substrate-carbonmangels": 0.213, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.347455727844578, "aff_pf": -0.3642261028289795, "aff_hs": -0.11350587010383606, "repeats_pf": {"runs": 3, "values": [-0.4719, -0.3011, -0.3197], "mean": -0.3642, "spread": 0.1708}, "repeats_hs": {"runs": 3, "values": [-0.1088, -0.1726, -0.0591], "mean": -0.1135, "spread": 0.1135}, "at": 1787065895}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064678, "scored_at": 1787065895, "alerts": [], "rank": 4166}, {"candidate_id": "ODC-DE9315", "res_at": 1787132098, "skeleton": "PJJAUZFZSJGSHP", "hf_user": "Ku-ku", "display_name": "NB1_vinyl_3Cl4OCF3anilino", "model_name": "triazolo-novel-periphery", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1nc··········)n2n1", "total": 28.661, "axes": {"activity": 12.45, "binding": 9.16, "selectivity": 0.0, "admet": 2.96, "novelty": 2.06, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.347, "fraction": 0.415}, "binding": {"pIC50": 6.37, "LE": 0.349, "potency_term": 0.458, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.458}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.907, "cyp2c9-veith": 0.246, "cyp3a4-substrate-carbonmangels": 0.177, "ld50-zhu": 0.577, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.3472708064384005, "aff_pf": -0.3740733067194621, "aff_hs": -0.7402260104815165, "repeats_pf": {"runs": 3, "values": [-0.3471, -0.4448, -0.3304], "mean": -0.3741, "spread": 0.1144}, "repeats_hs": {"runs": 3, "values": [-0.8149, -0.7837, -0.6221], "mean": -0.7402, "spread": 0.1929}, "at": 1787132098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787125186, "scored_at": 1787132098, "alerts": [], "rank": 4167}, {"candidate_id": "ODC-5CD0DC", "res_at": 1789998941, "skeleton": "WOCSQRQPHFTTMX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 28.658, "axes": {"activity": 17.3, "binding": 2.66, "selectivity": 0.0, "admet": 2.78, "novelty": 3.64, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.638, "fraction": 0.577}, "binding": {"pIC50": 5.52, "LE": 0.229, "potency_term": 0.174, "efficiency_cap": 0.764}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.174}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.949, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.6381791563638926, "aff_pf": 0.47748937209447223, "aff_hs": 0.4466288884480794, "repeats_pf": {"runs": 3, "values": [0.4679, 0.4439, 0.5207], "mean": 0.4775, "spread": 0.0767}, "repeats_hs": {"runs": 3, "values": [0.2535, 0.7137, 0.3726], "mean": 0.4466, "spread": 0.4602}, "at": 1789998941}, "tier": 1, "alerts": [], "total_sd": 0.161, "total_ci95": [28.419, 29.148], "relegate_reason": [], "submitted_at": 1789993184, "scored_at": 1789998941, "rank": 4168}, {"candidate_id": "ODC-39D324", "res_at": 1786843535, "skeleton": "BHHKKRCFXNNRJD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Test_Model_R1_Nausicaa", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 28.654, "axes": {"activity": 12.64, "binding": 8.27, "selectivity": 2.72, "admet": 2.72, "novelty": 1.07, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 6.33, "LE": 0.28, "potency_term": 0.443, "efficiency_cap": 0.933}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.443}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.917, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.746, "novelty": 0.254}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "2", "pAct_q10": 5.3583337109248985, "aff_pf": -0.3302624722321828, "aff_hs": 0.283381183942159, "repeats_pf": {"runs": 3, "values": [-0.3805, -0.3063, -0.304], "mean": -0.3303, "spread": 0.0765}, "repeats_hs": {"runs": 3, "values": [0.4236, 0.3391, 0.0874], "mean": 0.2834, "spread": 0.3362}, "at": 1786843535}, "tier": 1, "relegate_reason": [], "submitted_at": 1786813239, "scored_at": 1786843535, "alerts": [], "rank": 4169}, {"candidate_id": "ODC-CDFBB1", "res_at": 1787375289, "skeleton": "MQNQDKBZIIAPPE", "hf_user": "1Dmeds", "display_name": "ODC26-G05", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 28.653, "axes": {"activity": 15.14, "binding": 4.9, "selectivity": 0.62, "admet": 2.07, "novelty": 3.57, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.508, "fraction": 0.505}, "binding": {"pIC50": 5.92, "LE": 0.239, "potency_term": 0.308, "efficiency_cap": 0.796}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.308}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.897, "herg": 0.05, "dili": 0.407}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.508192525668657, "aff_pf": 0.07587353388468425, "aff_hs": 0.27861552437146503, "repeats_pf": {"runs": 3, "values": [-0.4514, 0.2729, 0.4062], "mean": 0.0759, "spread": 0.8575}, "repeats_hs": {"runs": 3, "values": [0.2871, 0.2653, 0.2834], "mean": 0.2786, "spread": 0.0217}, "at": 1787375289}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372669, "scored_at": 1787375289, "alerts": [], "rank": 4170}, {"candidate_id": "ODC-D8EEB0", "res_at": 1789999130, "skeleton": "YQOOQJWOVWUJHU", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 28.647, "axes": {"activity": 13.0, "binding": 6.35, "selectivity": 2.01, "admet": 2.36, "novelty": 3.12, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.38, "fraction": 0.433}, "binding": {"pIC50": 6.21, "LE": 0.236, "potency_term": 0.403, "efficiency_cap": 0.788}, "selectivity": {"fold": 3.1, "selectivity_term": 0.249, "target_engagement": 0.403}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.293, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.506, "ld50-zhu": 0.664, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.379924454871172, "aff_pf": -0.2099050978819529, "aff_hs": 0.2881438732147217, "repeats_pf": {"runs": 3, "values": [-0.0163, -0.2208, -0.3925], "mean": -0.2099, "spread": 0.3762}, "repeats_hs": {"runs": 3, "values": [0.2608, 0.2729, 0.3308], "mean": 0.2881, "spread": 0.07}, "at": 1789999130}, "tier": 1, "alerts": [], "total_sd": 1.137, "total_ci95": [26.552, 30.972], "relegate_reason": [], "submitted_at": 1789993033, "scored_at": 1789999130, "rank": 4171}, {"candidate_id": "ODC-77F713", "res_at": 1788605405, "skeleton": "WKWGRBRGCRTAGR", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 28.645, "axes": {"activity": 12.07, "binding": 8.16, "selectivity": 2.6, "admet": 1.98, "novelty": 2.19, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.324, "fraction": 0.402}, "binding": {"pIC50": 6.28, "LE": 0.287, "potency_term": 0.427, "efficiency_cap": 0.956}, "selectivity": {"fold": 4.1, "selectivity_term": 0.305, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.14, "ld50-zhu": 0.573, "herg": 0.055, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.324271238051819, "aff_pf": -0.27992844581604004, "aff_hs": 0.3301875591278076, "repeats_pf": {"runs": 3, "values": [-0.3824, -0.2038, -0.2536], "mean": -0.2799, "spread": 0.1786}, "repeats_hs": {"runs": 3, "values": [0.4014, 0.2871, 0.3021], "mean": 0.3302, "spread": 0.1143}, "at": 1788605405}, "tier": 1, "alerts": [], "total_sd": 0.771, "total_ci95": [27.575, 30.492], "relegate_reason": [], "submitted_at": 1788583511, "scored_at": 1788605405, "rank": 4172}, {"candidate_id": "ODC-856511", "res_at": 1789909102, "skeleton": "KPWQGQQPAIJMII", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 28.626, "axes": {"activity": 11.08, "binding": 8.01, "selectivity": 3.49, "admet": 3.01, "novelty": 1.22, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.369}, "binding": {"pIC50": 6.2, "LE": 0.327, "potency_term": 0.4, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.4}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.424, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.865, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.311, "herg": 0.174, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 5.264732367566355, "aff_pf": -0.20139291882514954, "aff_hs": 0.6691626707712809, "repeats_pf": {"runs": 3, "values": [-0.1595, -0.2365, -0.2082], "mean": -0.2014, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [0.6354, 0.7334, 0.6387], "mean": 0.6692, "spread": 0.098}, "at": 1789909102}, "tier": 1, "alerts": [], "total_sd": 0.371, "total_ci95": [27.848, 29.288], "relegate_reason": [], "submitted_at": 1789828750, "scored_at": 1789909102, "rank": 4173}, {"candidate_id": "ODC-0A5967", "res_at": 1786855688, "skeleton": "ILMLLSXTHDEMQV", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 28.622, "axes": {"activity": 2.31, "binding": 12.4, "selectivity": 3.23, "admet": 4.29, "novelty": 3.78, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 4.495, "fraction": 0.077}, "binding": {"pIC50": 6.86, "LE": 0.392, "potency_term": 0.62, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.26, "target_engagement": 0.62}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.303, "herg": 0.574, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 4.495316867006625, "aff_pf": -0.8607312440872192, "aff_hs": -0.33984904487927753, "repeats_pf": {"runs": 3, "values": [-0.8592, -0.8056, -0.9173], "mean": -0.8607, "spread": 0.1117}, "repeats_hs": {"runs": 3, "values": [-0.361, -0.3061, -0.3524], "mean": -0.3398, "spread": 0.0549}, "at": 1786855688}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848312, "scored_at": 1786855688, "alerts": [], "rank": 4174}, {"candidate_id": "ODC-0940DD", "res_at": 1789875182, "skeleton": "NVDUOZXOYLNUOX", "hf_user": "Bio-JS", "display_name": "0917-S1-div10", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 28.613, "axes": {"activity": 12.73, "binding": 6.69, "selectivity": 1.6, "admet": 3.17, "novelty": 2.52, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.424}, "binding": {"pIC50": 6.0, "LE": 0.343, "potency_term": 0.335, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.335}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.723, "cyp3a4-substrate-carbonmangels": 0.503, "ld50-zhu": 0.447, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.363729491210132, "aff_pf": -0.004187782605489095, "aff_hs": 0.47509558995564777, "repeats_pf": {"runs": 3, "values": [0.0587, 0.1499, -0.2212], "mean": -0.0042, "spread": 0.3711}, "repeats_hs": {"runs": 3, "values": [0.5798, 0.5049, 0.3406], "mean": 0.4751, "spread": 0.2392}, "at": 1789875182}, "tier": 1, "alerts": [], "total_sd": 1.037, "total_ci95": [26.994, 31.188], "relegate_reason": [], "submitted_at": 1789628584, "scored_at": 1789875182, "rank": 4175}, {"candidate_id": "ODC-4360CE", "res_at": 1788222030, "skeleton": "BHOQTFVDPUNDPW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc([··········C(F)F", "total": 28.609, "axes": {"activity": 12.0, "binding": 9.3, "selectivity": 1.39, "admet": 3.06, "novelty": 1.45, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.32, "fraction": 0.4}, "binding": {"pIC50": 6.43, "LE": 0.293, "potency_term": 0.475, "efficiency_cap": 0.978}, "selectivity": {"fold": 2.0, "selectivity_term": 0.146, "target_engagement": 0.475}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.538, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.776, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "0", "pAct_q10": 5.319938505029735, "aff_pf": -0.4259075125058492, "aff_hs": -0.1331473266084989, "repeats_pf": {"runs": 3, "values": [-0.4315, -0.437, -0.4092], "mean": -0.4259, "spread": 0.0279}, "repeats_hs": {"runs": 3, "values": [-0.245, -0.0754, -0.0791], "mean": -0.1331, "spread": 0.1696}, "at": 1788222030}, "tier": 1, "alerts": [], "total_sd": 0.257, "total_ci95": [28.111, 29.053], "relegate_reason": [], "submitted_at": 1788145115, "scored_at": 1788222030, "rank": 4176}, {"candidate_id": "ODC-EB2E23", "res_at": 1787265697, "skeleton": "BEKOUYIYVIIEFQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 28.59, "axes": {"activity": 16.79, "binding": 3.35, "selectivity": 0.0, "admet": 2.65, "novelty": 3.17, "synthesis": 2.64}, "detail": {"activity": {"pAct_q10": 5.607, "fraction": 0.56}, "binding": {"pIC50": 5.68, "LE": 0.222, "potency_term": 0.226, "efficiency_cap": 0.741}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.226}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.607333050811567, "aff_pf": 0.32263342042764026, "aff_hs": 0.07160285115242004, "repeats_pf": {"runs": 3, "values": [0.2888, 0.4562, 0.2229], "mean": 0.3226, "spread": 0.2334}, "repeats_hs": {"runs": 3, "values": [0.0173, 0.1232, 0.0742], "mean": 0.0716, "spread": 0.1059}, "at": 1787265697}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264771, "scored_at": 1787265697, "alerts": [], "rank": 4177}, {"candidate_id": "ODC-D3C1C3", "res_at": 1787080697, "skeleton": "JEOGPRJLDFCZQS", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 28.572, "axes": {"activity": 12.98, "binding": 6.6, "selectivity": 0.0, "admet": 4.45, "novelty": 3.31, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 6.01, "LE": 0.294, "potency_term": 0.337, "efficiency_cap": 0.98}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.624, "caco2-wang": 0.63, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.733, "ld50-zhu": 0.98, "herg": 0.05, "dili": 0.647}}, "novelty": {"max_tanimoto": 0.234, "novelty": 0.766}, "synthesis": {"sa_score": 4.02}}, "run": {"gpu": "3", "pAct_q10": 5.378544763639579, "aff_pf": -0.010563251872857412, "aff_hs": -0.2000923454761505, "repeats_pf": {"runs": 3, "values": [-0.0955, -0.1152, 0.179], "mean": -0.0106, "spread": 0.2942}, "repeats_hs": {"runs": 3, "values": [-0.135, -0.304, -0.1612], "mean": -0.2001, "spread": 0.169}, "at": 1787080697}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068797, "scored_at": 1787080697, "alerts": [], "rank": 4178}, {"candidate_id": "ODC-B04510", "res_at": 1788811756, "skeleton": "KDDMOLIOBDFUAZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 28.565, "axes": {"activity": 1.37, "binding": 11.97, "selectivity": 4.99, "admet": 4.78, "novelty": 2.48, "synthesis": 2.98}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.046}, "binding": {"pIC50": 6.8, "LE": 0.443, "potency_term": 0.598, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.417, "target_engagement": 0.598}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.887, "cyp2c9-veith": 0.665, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.535, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 4.682221215924038, "aff_pf": -0.7954176266988119, "aff_hs": 0.038299361864725746, "repeats_pf": {"runs": 3, "values": [-0.6234, -1.0086, -0.7543], "mean": -0.7954, "spread": 0.3852}, "repeats_hs": {"runs": 3, "values": [0.0172, 0.0804, 0.0173], "mean": 0.0383, "spread": 0.0632}, "at": 1788811756}, "tier": 1, "alerts": [], "total_sd": 1.97, "total_ci95": [25.029, 33.221], "relegate_reason": [], "submitted_at": 1788737808, "scored_at": 1788811756, "rank": 4179}, {"candidate_id": "ODC-38C3CF", "res_at": 1787365651, "skeleton": "UZYYPQULPRHCHN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 28.564, "axes": {"activity": 15.63, "binding": 2.8, "selectivity": 0.0, "admet": 4.52, "novelty": 3.88, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.538, "fraction": 0.521}, "binding": {"pIC50": 5.49, "LE": 0.259, "potency_term": 0.162, "efficiency_cap": 0.864}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.162}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.927, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.621, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.5376752823787685, "aff_pf": 0.5134167075157166, "aff_hs": -0.086154505610466, "repeats_pf": {"runs": 3, "values": [0.4833, 0.509, 0.548], "mean": 0.5134, "spread": 0.0647}, "repeats_hs": {"runs": 3, "values": [-0.1597, -0.0398, -0.059], "mean": -0.0862, "spread": 0.1199}, "at": 1787365651}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364615, "scored_at": 1787365651, "alerts": [], "rank": 4180}, {"candidate_id": "ODC-BD2112", "res_at": 1786885856, "skeleton": "NSPPGVVVQOXQPV", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 28.537, "axes": {"activity": 10.56, "binding": 9.06, "selectivity": 2.53, "admet": 2.73, "novelty": 1.39, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.234, "fraction": 0.352}, "binding": {"pIC50": 6.36, "LE": 0.363, "potency_term": 0.453, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.456, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.441, "herg": 0.068, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.233773803184383, "aff_pf": -0.35967470208803815, "aff_hs": 0.19786207377910614, "repeats_pf": {"runs": 3, "values": [-0.3685, -0.395, -0.3156], "mean": -0.3597, "spread": 0.0794}, "repeats_hs": {"runs": 3, "values": [0.1735, 0.2838, 0.1363], "mean": 0.1979, "spread": 0.1475}, "at": 1786885856}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878953, "scored_at": 1786885856, "alerts": [], "rank": 4181}, {"candidate_id": "ODC-59BC94", "res_at": 1790002392, "skeleton": "XJZKJANPZWVFNX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Br··········)C)c1", "total": 28.53, "axes": {"activity": 18.16, "binding": 0.44, "selectivity": 0.0, "admet": 3.07, "novelty": 4.38, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.689, "fraction": 0.605}, "binding": {"pIC50": 4.58, "LE": 0.19, "potency_term": 0.035, "efficiency_cap": 0.633}, "selectivity": {"fold": 1.1, "selectivity_term": 0.023, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.937, "herg": 0.13, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.689494545408791, "aff_pf": 1.422524333000183, "aff_hs": 1.4687153895696003, "repeats_pf": {"runs": 3, "values": [1.4514, 1.3633, 1.4529], "mean": 1.4225, "spread": 0.0896}, "repeats_hs": {"runs": 3, "values": [1.3387, 1.575, 1.4924], "mean": 1.4687, "spread": 0.2363}, "at": 1790002392}, "tier": 1, "alerts": [], "total_sd": 0.027, "total_ci95": [28.495, 28.567], "relegate_reason": [], "submitted_at": 1789993291, "scored_at": 1790002392, "rank": 4182}, {"candidate_id": "ODC-5083AA", "res_at": 1788940650, "skeleton": "WSKUIHYPDXOMQY", "hf_user": "trblnfxn", "display_name": "NC-OPT-03", "model_name": "Hermes-NewCore-Pareto-v1", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········n1CCO", "total": 28.526, "axes": {"activity": 14.45, "binding": 4.33, "selectivity": 0.66, "admet": 3.44, "novelty": 3.33, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.467, "fraction": 0.482}, "binding": {"pIC50": 5.74, "LE": 0.262, "potency_term": 0.248, "efficiency_cap": 0.874}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.248}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.509, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.581, "cyp3a4-substrate-carbonmangels": 0.584, "ld50-zhu": 0.414, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.467179075444941, "aff_pf": 0.2568683127562205, "aff_hs": 0.5246620972951254, "repeats_pf": {"runs": 3, "values": [0.2692, 0.2932, 0.2082], "mean": 0.2569, "spread": 0.0851}, "repeats_hs": {"runs": 3, "values": [0.603, 0.3661, 0.6049], "mean": 0.5247, "spread": 0.2388}, "at": 1788940650}, "tier": 1, "alerts": [], "total_sd": 0.265, "total_ci95": [28.058, 29.229], "relegate_reason": [], "submitted_at": 1788938445, "scored_at": 1788940650, "rank": 4183}, {"candidate_id": "ODC-4AEC46", "res_at": 1786871005, "skeleton": "ARVYOXCDADDQFW", "hf_user": "DOATC", "display_name": "SOL_AGG_RET_01", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 28.472, "axes": {"activity": 11.4, "binding": 9.28, "selectivity": 0.0, "admet": 3.42, "novelty": 2.36, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.284, "fraction": 0.38}, "binding": {"pIC50": 6.39, "LE": 0.381, "potency_term": 0.464, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.464}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.987, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.739, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.284246893131376, "aff_pf": -0.39179447293281555, "aff_hs": -0.4495653609434764, "repeats_pf": {"runs": 3, "values": [-0.3917, -0.3973, -0.3864], "mean": -0.3918, "spread": 0.0108}, "repeats_hs": {"runs": 3, "values": [-0.4535, -0.399, -0.4962], "mean": -0.4496, "spread": 0.0971}, "at": 1786871005}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865516, "scored_at": 1786871005, "alerts": [], "rank": 4184}, {"candidate_id": "ODC-9EAC5F", "res_at": 1788833383, "skeleton": "AHZHUQWGQRIAQQ", "hf_user": "daehan1123", "display_name": "Gemini", "model_name": "Gemini", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 28.471, "axes": {"activity": 12.17, "binding": 8.56, "selectivity": 1.83, "admet": 2.76, "novelty": 1.11, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 6.28, "LE": 0.344, "potency_term": 0.428, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.497, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.492, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.741, "novelty": 0.259}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.330117504496754, "aff_pf": -0.28391387561957043, "aff_hs": 0.14395469427108765, "repeats_pf": {"runs": 3, "values": [-0.3137, -0.3723, -0.1657], "mean": -0.2839, "spread": 0.2066}, "repeats_hs": {"runs": 3, "values": [0.0986, -0.0464, 0.3798], "mean": 0.144, "spread": 0.4262}, "at": 1788833383}, "tier": 1, "alerts": [], "total_sd": 0.838, "total_ci95": [26.75, 30.078], "relegate_reason": [], "submitted_at": 1788830457, "scored_at": 1788833383, "rank": 4185}, {"candidate_id": "ODC-B974F0", "res_at": 1787366164, "skeleton": "JOQCRQWNLBMRQM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cn1", "total": 28.461, "axes": {"activity": 14.81, "binding": 4.45, "selectivity": 0.0, "admet": 4.04, "novelty": 3.55, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.488, "fraction": 0.494}, "binding": {"pIC50": 5.72, "LE": 0.28, "potency_term": 0.239, "efficiency_cap": 0.932}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.239}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 0.944, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.969, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.801, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "3", "pAct_q10": 5.488366840080235, "aff_pf": 0.28336260716120404, "aff_hs": 0.14883476247390112, "repeats_pf": {"runs": 3, "values": [0.2398, 0.3088, 0.3016], "mean": 0.2834, "spread": 0.069}, "repeats_hs": {"runs": 3, "values": [0.2171, 0.0828, 0.1466], "mean": 0.1488, "spread": 0.1343}, "at": 1787366164}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364634, "scored_at": 1787366164, "alerts": [], "rank": 4186}, {"candidate_id": "ODC-5CF352", "res_at": 1789174611, "skeleton": "PETTXTURKJUDFJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 28.46, "axes": {"activity": 14.83, "binding": 5.25, "selectivity": 0.12, "admet": 3.46, "novelty": 2.7, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.494}, "binding": {"pIC50": 5.79, "LE": 0.317, "potency_term": 0.263, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.023, "target_engagement": 0.263}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.96, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.48969183640442, "aff_pf": 0.211840550104777, "aff_hs": 0.2578236510356267, "repeats_pf": {"runs": 3, "values": [0.1416, 0.2149, 0.2791], "mean": 0.2118, "spread": 0.1375}, "repeats_hs": {"runs": 3, "values": [0.1093, 0.3465, 0.3177], "mean": 0.2578, "spread": 0.2373}, "at": 1789174611}, "tier": 1, "alerts": [], "total_sd": 0.322, "total_ci95": [27.891, 29.311], "relegate_reason": [], "submitted_at": 1789173793, "scored_at": 1789174611, "rank": 4187}, {"candidate_id": "ODC-A84A74", "res_at": 1789568353, "skeleton": "XFGZMQRBEKZIEY", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(O)··········)(F)F", "total": 28.456, "axes": {"activity": 16.08, "binding": 4.33, "selectivity": 0.37, "admet": 2.59, "novelty": 3.77, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.565, "fraction": 0.536}, "binding": {"pIC50": 5.81, "LE": 0.241, "potency_term": 0.269, "efficiency_cap": 0.804}, "selectivity": {"fold": 1.4, "selectivity_term": 0.068, "target_engagement": 0.269}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.05, "hia-hou": 0.599, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.718, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 4.27}}, "run": {"gpu": "0", "pAct_q10": 5.564610396327703, "aff_pf": 0.19198804100354513, "aff_hs": 0.32823585470517475, "repeats_pf": {"runs": 3, "values": [0.1755, 0.2564, 0.1441], "mean": 0.192, "spread": 0.1123}, "repeats_hs": {"runs": 3, "values": [0.3586, 0.327, 0.2992], "mean": 0.3282, "spread": 0.0594}, "at": 1789568353}, "tier": 1, "alerts": [], "total_sd": 0.275, "total_ci95": [27.901, 28.935], "relegate_reason": [], "submitted_at": 1789567274, "scored_at": 1789568353, "rank": 4188}, {"candidate_id": "ODC-C8A39C", "res_at": 1787705920, "skeleton": "STSUVHNTMXKKQE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc2··········3)n12", "total": 28.433, "axes": {"activity": 11.45, "binding": 8.31, "selectivity": 1.15, "admet": 3.17, "novelty": 2.47, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 6.25, "LE": 0.372, "potency_term": 0.416, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.416}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.329, "ld50-zhu": 0.444, "herg": 0.814, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.286746288322476, "aff_pf": -0.2467749466498693, "aff_hs": 0.031126628319422405, "repeats_pf": {"runs": 3, "values": [-0.4253, -0.1681, -0.147], "mean": -0.2468, "spread": 0.2783}, "repeats_hs": {"runs": 3, "values": [0.0454, 0.0428, 0.0052], "mean": 0.0311, "spread": 0.0403}, "at": 1787705920}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702938, "scored_at": 1787705920, "alerts": [], "rank": 4189}, {"candidate_id": "ODC-576DB5", "res_at": 1788193628, "skeleton": "SJXFVWANDXOYQI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 28.424, "axes": {"activity": 10.68, "binding": 9.36, "selectivity": 0.6, "admet": 2.63, "novelty": 3.3, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.241, "fraction": 0.356}, "binding": {"pIC50": 6.4, "LE": 0.313, "potency_term": 0.468, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.468}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.927, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.68, "herg": 0.124, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 5.24084864921649, "aff_pf": -0.40453850229581195, "aff_hs": -0.27561824520428974, "repeats_pf": {"runs": 3, "values": [-0.3816, -0.3965, -0.4355], "mean": -0.4045, "spread": 0.0539}, "repeats_hs": {"runs": 3, "values": [-0.2519, -0.2967, -0.2782], "mean": -0.2756, "spread": 0.0448}, "at": 1788193628}, "tier": 1, "alerts": [], "total_sd": 0.23, "total_ci95": [28.029, 28.892], "relegate_reason": [], "submitted_at": 1788189830, "scored_at": 1788193628, "rank": 4190}, {"candidate_id": "ODC-39ECB8", "res_at": 1789587763, "skeleton": "XDKCPHCUQBUOSY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········COCC1", "total": 28.422, "axes": {"activity": 14.08, "binding": 5.47, "selectivity": 1.55, "admet": 2.14, "novelty": 3.48, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.445, "fraction": 0.469}, "binding": {"pIC50": 6.07, "LE": 0.231, "potency_term": 0.355, "efficiency_cap": 0.769}, "selectivity": {"fold": 2.7, "selectivity_term": 0.219, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.321, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.457, "ld50-zhu": 0.902, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "0", "pAct_q10": 5.444659371549426, "aff_pf": -0.06558819115161896, "aff_hs": 0.3719000518321991, "repeats_pf": {"runs": 3, "values": [0.0173, -0.1339, -0.0802], "mean": -0.0656, "spread": 0.1511}, "repeats_hs": {"runs": 3, "values": [0.367, 0.2922, 0.4565], "mean": 0.3719, "spread": 0.1644}, "at": 1789587763}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [27.454, 29.195], "relegate_reason": [], "submitted_at": 1789571965, "scored_at": 1789587763, "rank": 4191}, {"candidate_id": "ODC-BF1CF6", "res_at": 1789404890, "skeleton": "KKNZDQSQPSETCC", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········c2)n1", "total": 28.403, "axes": {"activity": 9.13, "binding": 8.66, "selectivity": 3.36, "admet": 3.34, "novelty": 2.61, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 6.31, "LE": 0.298, "potency_term": 0.436, "efficiency_cap": 0.993}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.436}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.954, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.887, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.1479162289284215, "aff_pf": -0.30732186635335285, "aff_hs": 0.46300215522448224, "repeats_pf": {"runs": 3, "values": [-0.3452, -0.2671, -0.3096], "mean": -0.3073, "spread": 0.078}, "repeats_hs": {"runs": 3, "values": [0.5306, 0.4162, 0.4422], "mean": 0.463, "spread": 0.1144}, "at": 1789404890}, "tier": 1, "alerts": [], "total_sd": 0.458, "total_ci95": [27.579, 29.23], "relegate_reason": [], "submitted_at": 1789403453, "scored_at": 1789404890, "rank": 4192}, {"candidate_id": "ODC-6C34A8", "res_at": 1787427714, "skeleton": "TVQXCFOFTMULOP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 28.396, "axes": {"activity": 17.19, "binding": 2.21, "selectivity": 0.25, "admet": 2.31, "novelty": 3.91, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.631, "fraction": 0.573}, "binding": {"pIC50": 5.49, "LE": 0.203, "potency_term": 0.163, "efficiency_cap": 0.678}, "selectivity": {"fold": 1.4, "selectivity_term": 0.077, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.063, "caco2-wang": 0.543, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.648, "ld50-zhu": 0.749, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.631465458259889, "aff_pf": 0.5098279118537903, "aff_hs": 0.664393405119578, "repeats_pf": {"runs": 3, "values": [0.6406, 0.4042, 0.4847], "mean": 0.5098, "spread": 0.2364}, "repeats_hs": {"runs": 3, "values": [0.6959, 0.3104, 0.9869], "mean": 0.6644, "spread": 0.6764}, "at": 1787427714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787425372, "scored_at": 1787427714, "alerts": [], "rank": 4193}, {"candidate_id": "ODC-7F3085", "res_at": 1787163279, "skeleton": "KTPAXDFANGCKRK", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 28.344, "axes": {"activity": 7.48, "binding": 8.84, "selectivity": 4.39, "admet": 3.78, "novelty": 1.9, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.049, "fraction": 0.249}, "binding": {"pIC50": 6.33, "LE": 0.377, "potency_term": 0.442, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.9, "selectivity_term": 0.497, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.603, "cyp3a4-substrate-carbonmangels": 0.643, "ld50-zhu": 0.409, "herg": 0.634, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.0489476852485105, "aff_pf": -0.32575786113739014, "aff_hs": 0.6684188644091288, "repeats_pf": {"runs": 3, "values": [-0.3369, -0.2243, -0.4161], "mean": -0.3258, "spread": 0.1918}, "repeats_hs": {"runs": 3, "values": [0.5831, 0.7204, 0.7017], "mean": 0.6684, "spread": 0.1374}, "at": 1787163279}, "tier": 1, "relegate_reason": [], "submitted_at": 1787152110, "scored_at": 1787163279, "alerts": [], "rank": 4194}, {"candidate_id": "ODC-AB369B", "res_at": 1786990110, "skeleton": "NSSYIYLZCKCDOR", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(=··········)nn1C", "total": 28.328, "axes": {"activity": 10.49, "binding": 9.52, "selectivity": 1.23, "admet": 2.14, "novelty": 3.19, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.35}, "binding": {"pIC50": 6.57, "LE": 0.273, "potency_term": 0.524, "efficiency_cap": 0.909}, "selectivity": {"fold": 1.7, "selectivity_term": 0.117, "target_engagement": 0.524}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.854, "herg": 0.05, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "2", "pAct_q10": 5.229344536090632, "aff_pf": -0.5710976123809814, "aff_hs": -0.33647991220156354, "repeats_pf": {"runs": 3, "values": [-0.6101, -0.523, -0.5802], "mean": -0.5711, "spread": 0.0871}, "repeats_hs": {"runs": 3, "values": [-0.4066, -0.2867, -0.3161], "mean": -0.3365, "spread": 0.12}, "at": 1786990110}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984782, "scored_at": 1786990110, "alerts": [], "rank": 4195}, {"candidate_id": "ODC-B199F6", "res_at": 1787371175, "skeleton": "GTJJFUQTJHOCPH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 28.311, "axes": {"activity": 10.22, "binding": 9.27, "selectivity": 0.07, "admet": 3.71, "novelty": 3.46, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.213, "fraction": 0.341}, "binding": {"pIC50": 6.39, "LE": 0.313, "potency_term": 0.464, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.007, "target_engagement": 0.464}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.737, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.65, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.213064952459858, "aff_pf": -0.39055118958155316, "aff_hs": -0.3761368195215861, "repeats_pf": {"runs": 3, "values": [-0.3914, -0.4093, -0.371], "mean": -0.3906, "spread": 0.0383}, "repeats_hs": {"runs": 3, "values": [-0.3518, -0.4447, -0.3319], "mean": -0.3761, "spread": 0.1128}, "at": 1787371175}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364999, "scored_at": 1787371175, "alerts": [], "rank": 4196}, {"candidate_id": "ODC-55E66A", "res_at": 1787023563, "skeleton": "FKHJPXDMUJKADQ", "hf_user": "takutoyo", "display_name": "PfD5-B2", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········O)CC1", "total": 28.309, "axes": {"activity": 12.96, "binding": 6.65, "selectivity": 1.22, "admet": 2.43, "novelty": 2.95, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 6.11, "LE": 0.27, "potency_term": 0.37, "efficiency_cap": 0.9}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.542, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.782, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 5.377531681055019, "aff_pf": -0.10909787565469742, "aff_hs": 0.21974247507750988, "repeats_pf": {"runs": 3, "values": [-0.0555, -0.3665, 0.0947], "mean": -0.1091, "spread": 0.4612}, "repeats_hs": {"runs": 3, "values": [-0.0212, 0.6328, 0.0477], "mean": 0.2197, "spread": 0.654}, "at": 1787023563}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023093, "scored_at": 1787023563, "alerts": [], "rank": 4197}, {"candidate_id": "ODC-6CD3E5", "res_at": 1787267606, "skeleton": "JHHOWCCKTSABLG", "hf_user": "ipsych", "display_name": "OCB-propyl-cPent-oCF3", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 28.305, "axes": {"activity": 17.54, "binding": 1.45, "selectivity": 0.0, "admet": 2.81, "novelty": 3.99, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.653, "fraction": 0.585}, "binding": {"pIC50": 5.32, "LE": 0.203, "potency_term": 0.107, "efficiency_cap": 0.675}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 0.978, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.388}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.652551460607536, "aff_pf": 0.6784101029237112, "aff_hs": 0.5205047527949015, "repeats_pf": {"runs": 3, "values": [0.7992, 0.2369, 0.9992], "mean": 0.6784, "spread": 0.7623}, "repeats_hs": {"runs": 3, "values": [0.4409, 0.4069, 0.7137], "mean": 0.5205, "spread": 0.3067}, "at": 1787267606}, "tier": 1, "relegate_reason": [], "submitted_at": 1787266861, "scored_at": 1787267606, "alerts": [], "rank": 4198}, {"candidate_id": "ODC-1AEC6B", "res_at": 1787318119, "skeleton": "ZYTFPMMOWHIJML", "hf_user": "takutoyo", "display_name": "PfD12-14", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 28.295, "axes": {"activity": 16.56, "binding": 4.35, "selectivity": 0.0, "admet": 1.95, "novelty": 3.61, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.594, "fraction": 0.552}, "binding": {"pIC50": 5.83, "LE": 0.235, "potency_term": 0.278, "efficiency_cap": 0.783}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.278}, "admet": {"geometric_mean": 0.235, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.385, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.593784709580954, "aff_pf": 0.16735986868540445, "aff_hs": -0.28161635001500446, "repeats_pf": {"runs": 3, "values": [0.3519, 0.0046, 0.1456], "mean": 0.1674, "spread": 0.3473}, "repeats_hs": {"runs": 3, "values": [-0.4021, -0.261, -0.1817], "mean": -0.2816, "spread": 0.2204}, "at": 1787318119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315840, "scored_at": 1787318119, "alerts": [], "rank": 4199}, {"candidate_id": "ODC-33BDD3", "res_at": 1789229380, "skeleton": "ISJKFMVLXNHKBQ", "hf_user": "Bio-JS", "display_name": "0913-S1-div05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 28.277, "axes": {"activity": 13.07, "binding": 8.24, "selectivity": 0.0, "admet": 2.51, "novelty": 2.68, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 6.24, "LE": 0.342, "potency_term": 0.412, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.057, "ld50-zhu": 0.474, "herg": 0.222, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.383946430083245, "aff_pf": -0.23619361221790314, "aff_hs": -0.39399681488672894, "repeats_pf": {"runs": 3, "values": [-0.2706, -0.2166, -0.2213], "mean": -0.2362, "spread": 0.054}, "repeats_hs": {"runs": 3, "values": [-0.3262, -0.4587, -0.397], "mean": -0.394, "spread": 0.1325}, "at": 1789229380}, "tier": 1, "alerts": [], "total_sd": 0.095, "total_ci95": [28.146, 28.506], "relegate_reason": [], "submitted_at": 1789226291, "scored_at": 1789229380, "rank": 4200}, {"candidate_id": "ODC-443694", "res_at": 1788799386, "skeleton": "XUASHKABEPYJOI", "hf_user": "Bio-JS", "display_name": "0907-S1-24", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 28.273, "axes": {"activity": 14.42, "binding": 4.92, "selectivity": 1.25, "admet": 2.37, "novelty": 2.92, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.481}, "binding": {"pIC50": 5.83, "LE": 0.266, "potency_term": 0.277, "efficiency_cap": 0.888}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.465299206939449, "aff_pf": 0.16820208976666132, "aff_hs": 0.6187498768170675, "repeats_pf": {"runs": 3, "values": [0.2313, 0.0765, 0.1968], "mean": 0.1682, "spread": 0.1548}, "repeats_hs": {"runs": 3, "values": [0.9859, 0.416, 0.4543], "mean": 0.6187, "spread": 0.5699}, "at": 1788799386}, "tier": 1, "alerts": [], "total_sd": 0.565, "total_ci95": [27.336, 29.376], "relegate_reason": [], "submitted_at": 1788707777, "scored_at": 1788799386, "rank": 4201}, {"candidate_id": "ODC-9FAF74", "res_at": 1787428299, "skeleton": "BMTOTPHLDYWFHM", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ncc12", "total": 28.266, "axes": {"activity": 15.32, "binding": 4.53, "selectivity": 0.51, "admet": 2.24, "novelty": 3.48, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.519, "fraction": 0.511}, "binding": {"pIC50": 5.93, "LE": 0.22, "potency_term": 0.309, "efficiency_cap": 0.732}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.122, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.661, "ld50-zhu": 0.761, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.519122074979427, "aff_pf": 0.07180183132489522, "aff_hs": 0.23745030164718628, "repeats_pf": {"runs": 3, "values": [0.0336, -0.2802, 0.462], "mean": 0.0718, "spread": 0.7422}, "repeats_hs": {"runs": 3, "values": [-0.035, 0.308, 0.4393], "mean": 0.2375, "spread": 0.4743}, "at": 1787428299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787427403, "scored_at": 1787428299, "alerts": [], "rank": 4202}, {"candidate_id": "ODC-AA8A58", "res_at": 1787132471, "skeleton": "VXKKEBDDGJLMJY", "hf_user": "Ku-ku", "display_name": "NB3_vinyl_pyridylCF3amino", "model_name": "triazolo-novel-periphery", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1nc··········)n2n1", "total": 28.261, "axes": {"activity": 12.06, "binding": 7.56, "selectivity": 1.57, "admet": 3.28, "novelty": 2.04, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.323, "fraction": 0.402}, "binding": {"pIC50": 6.13, "LE": 0.365, "potency_term": 0.378, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.208, "target_engagement": 0.378}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.275, "ld50-zhu": 0.429, "herg": 0.415, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.32333919512976, "aff_pf": -0.13412310679753622, "aff_hs": 0.28186813990275067, "repeats_pf": {"runs": 3, "values": [-0.2028, -0.0144, -0.1851], "mean": -0.1341, "spread": 0.1884}, "repeats_hs": {"runs": 3, "values": [0.2146, 0.32, 0.311], "mean": 0.2819, "spread": 0.1054}, "at": 1787132471}, "tier": 1, "relegate_reason": [], "submitted_at": 1787125196, "scored_at": 1787132471, "alerts": [], "rank": 4203}, {"candidate_id": "ODC-3A7B57", "res_at": 1788808447, "skeleton": "CBPOUSFZQLWMSA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cn2··········nc2n1", "total": 28.252, "axes": {"activity": 4.67, "binding": 11.28, "selectivity": 2.33, "admet": 4.09, "novelty": 3.35, "synthesis": 2.54}, "detail": {"activity": {"pAct_q10": 4.88, "fraction": 0.156}, "binding": {"pIC50": 6.69, "LE": 0.382, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.772, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.442, "herg": 0.05, "dili": 0.498}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 4.8800711606497575, "aff_pf": -0.6917127966880798, "aff_hs": -0.27826157212257385, "repeats_pf": {"runs": 3, "values": [-0.7647, -0.6927, -0.6178], "mean": -0.6917, "spread": 0.1469}, "repeats_hs": {"runs": 3, "values": [-0.2909, -0.2953, -0.2486], "mean": -0.2783, "spread": 0.0468}, "at": 1788808447}, "tier": 1, "alerts": [], "total_sd": 0.614, "total_ci95": [27.224, 29.69], "relegate_reason": [], "submitted_at": 1788737421, "scored_at": 1788808447, "rank": 4204}, {"candidate_id": "ODC-3406A1", "res_at": 1787351999, "skeleton": "HKAKIWWRXSDHTD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········)CCC1", "total": 28.249, "axes": {"activity": 18.59, "binding": 0.13, "selectivity": 0.0, "admet": 3.46, "novelty": 3.94, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.716, "fraction": 0.62}, "binding": {"pIC50": 5.03, "LE": 0.209, "potency_term": 0.01, "efficiency_cap": 0.696}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.01}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.736, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.407, "herg": 0.05, "dili": 0.519}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.715564380331725, "aff_pf": 0.9710113207499186, "aff_hs": 0.7284409403800964, "repeats_pf": {"runs": 3, "values": [1.3722, 0.7548, 0.786], "mean": 0.971, "spread": 0.6174}, "repeats_hs": {"runs": 3, "values": [0.5426, 0.7236, 0.9191], "mean": 0.7284, "spread": 0.3764}, "at": 1787351999}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347726, "scored_at": 1787351999, "alerts": [], "rank": 4205}, {"candidate_id": "ODC-FB9CD9", "res_at": 1789888977, "skeleton": "PUXSEDXXYXFPLB", "hf_user": "Bio-JS", "display_name": "0918-S1-div03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 28.243, "axes": {"activity": 12.53, "binding": 6.2, "selectivity": 1.88, "admet": 3.21, "novelty": 2.64, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 5.93, "LE": 0.301, "potency_term": 0.31, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.31}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.915, "cyp3a4-substrate-carbonmangels": 0.572, "ld50-zhu": 0.591, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.351880378612159, "aff_pf": 0.0694130261739095, "aff_hs": 0.6741292079289755, "repeats_pf": {"runs": 3, "values": [0.1308, 0.1256, -0.0482], "mean": 0.0694, "spread": 0.179}, "repeats_hs": {"runs": 3, "values": [0.7686, 0.8417, 0.412], "mean": 0.6741, "spread": 0.4297}, "at": 1789888977}, "tier": 1, "alerts": [], "total_sd": 0.665, "total_ci95": [27.116, 29.59], "relegate_reason": [], "submitted_at": 1789687012, "scored_at": 1789888977, "rank": 4206}, {"candidate_id": "ODC-EDE3D1", "res_at": 1787729680, "skeleton": "QVXOBKIJHLUTGV", "hf_user": "Bio-JS", "display_name": "A 팔페닐 -> 바이사이클로[1.1.1]펜테인", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 28.222, "axes": {"activity": 13.97, "binding": 6.09, "selectivity": 1.21, "admet": 2.48, "novelty": 3.47, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 5.438, "fraction": 0.466}, "binding": {"pIC50": 6.17, "LE": 0.235, "potency_term": 0.389, "efficiency_cap": 0.782}, "selectivity": {"fold": 2.0, "selectivity_term": 0.156, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.589, "caco2-wang": 0.314, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.986, "herg": 0.05, "dili": 0.27}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 4.51}}, "run": {"gpu": "3", "pAct_q10": 5.438430153461474, "aff_pf": -0.16834977020819983, "aff_hs": 0.14287970463434854, "repeats_pf": {"runs": 3, "values": [-0.0637, -0.4148, -0.0266], "mean": -0.1683, "spread": 0.3881}, "repeats_hs": {"runs": 3, "values": [0.1416, 0.0685, 0.2185], "mean": 0.1429, "spread": 0.15}, "at": 1787729680}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726419, "scored_at": 1787729680, "alerts": [], "rank": 4207}, {"candidate_id": "ODC-FE055D", "res_at": 1787045143, "skeleton": "ABMMMOODDPDJJO", "hf_user": "epicsaga", "display_name": "PFD3-07", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2s1", "total": 28.195, "axes": {"activity": 13.59, "binding": 7.12, "selectivity": 0.0, "admet": 2.5, "novelty": 2.75, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 5.415, "fraction": 0.453}, "binding": {"pIC50": 6.17, "LE": 0.273, "potency_term": 0.391, "efficiency_cap": 0.909}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.391}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.542, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.678, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.415224310991732, "aff_pf": -0.17371568580468497, "aff_hs": -0.5174245735009512, "repeats_pf": {"runs": 3, "values": [-0.2118, -0.2172, -0.0921], "mean": -0.1737, "spread": 0.1251}, "repeats_hs": {"runs": 3, "values": [-0.4587, -0.7823, -0.3113], "mean": -0.5174, "spread": 0.4709}, "at": 1787045143}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039313, "scored_at": 1787045143, "alerts": [], "rank": 4208}, {"candidate_id": "ODC-CCA704", "res_at": 1787349556, "skeleton": "PLMZWEGITIVYRD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········)CCC1", "total": 28.16, "axes": {"activity": 13.85, "binding": 6.9, "selectivity": 0.0, "admet": 2.76, "novelty": 2.94, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 6.27, "LE": 0.245, "potency_term": 0.422, "efficiency_cap": 0.818}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.981, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.526, "herg": 0.05, "dili": 0.19}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.430812197279301, "aff_pf": -0.26561429103215534, "aff_hs": -0.7209790647029877, "repeats_pf": {"runs": 3, "values": [-0.2918, -0.1081, -0.3969], "mean": -0.2656, "spread": 0.2888}, "repeats_hs": {"runs": 3, "values": [-0.4885, -0.5161, -1.1583], "mean": -0.721, "spread": 0.6698}, "at": 1787349556}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347644, "scored_at": 1787349556, "alerts": [], "rank": 4209}, {"candidate_id": "ODC-E5827A", "res_at": 1788092560, "skeleton": "NLRXFCSIMNXLHN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········sc2n1", "total": 28.153, "axes": {"activity": 10.63, "binding": 9.27, "selectivity": 0.0, "admet": 2.98, "novelty": 2.99, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.238, "fraction": 0.354}, "binding": {"pIC50": 6.39, "LE": 0.381, "potency_term": 0.463, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.057, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.888, "ld50-zhu": 0.792, "herg": 0.339, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.238007093893604, "aff_pf": -0.3897836407025655, "aff_hs": -0.5982173879941305, "repeats_pf": {"runs": 3, "values": [-0.368, -0.413, -0.3884], "mean": -0.3898, "spread": 0.045}, "repeats_hs": {"runs": 3, "values": [-0.6193, -0.6139, -0.5614], "mean": -0.5982, "spread": 0.0579}, "at": 1788092560}, "tier": 1, "alerts": [], "total_sd": 0.135, "total_ci95": [27.878, 28.445], "relegate_reason": [], "submitted_at": 1788081240, "scored_at": 1788092560, "rank": 4210}, {"candidate_id": "ODC-463B66", "res_at": 1787280567, "skeleton": "OKJAHFGIWOVYHN", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 28.141, "axes": {"activity": 16.77, "binding": 3.96, "selectivity": 0.0, "admet": 3.56, "novelty": 2.06, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.606, "fraction": 0.559}, "binding": {"pIC50": 5.62, "LE": 0.285, "potency_term": 0.208, "efficiency_cap": 0.951}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.208}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.463, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.314}}, "novelty": {"max_tanimoto": 0.631, "novelty": 0.369}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 5.606375614692233, "aff_pf": 0.37602656086285907, "aff_hs": 0.2693157196044922, "repeats_pf": {"runs": 3, "values": [0.3576, 0.4179, 0.3526], "mean": 0.376, "spread": 0.0653}, "repeats_hs": {"runs": 3, "values": [0.3084, 0.1864, 0.3132], "mean": 0.2693, "spread": 0.1267}, "at": 1787280567}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276187, "scored_at": 1787280567, "alerts": [], "rank": 4211}, {"candidate_id": "ODC-C89FF4", "res_at": 1788132890, "skeleton": "YFSCEICLHRRKHR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 28.134, "axes": {"activity": 12.14, "binding": 9.25, "selectivity": 0.0, "admet": 2.13, "novelty": 2.68, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 6.42, "LE": 0.293, "potency_term": 0.473, "efficiency_cap": 0.977}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.563, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.702, "ld50-zhu": 0.726, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.328623258228828, "aff_pf": -0.4198628067970276, "aff_hs": -0.688954770565033, "repeats_pf": {"runs": 3, "values": [-0.6747, -0.3489, -0.236], "mean": -0.4199, "spread": 0.4387}, "repeats_hs": {"runs": 3, "values": [-0.9179, -0.6128, -0.5362], "mean": -0.689, "spread": 0.3816}, "at": 1788132890}, "tier": 1, "alerts": [], "total_sd": 1.318, "total_ci95": [26.16, 30.205], "relegate_reason": [], "submitted_at": 1788132372, "scored_at": 1788132890, "rank": 4212}, {"candidate_id": "ODC-4937BF", "res_at": 1787101466, "skeleton": "QCVGAUALKXEMDL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNc1c··········2)cc1", "total": 28.129, "axes": {"activity": 17.26, "binding": 3.07, "selectivity": 0.0, "admet": 1.89, "novelty": 3.15, "synthesis": 2.76}, "detail": {"activity": {"pAct_q10": 5.636, "fraction": 0.575}, "binding": {"pIC50": 5.66, "LE": 0.21, "potency_term": 0.22, "efficiency_cap": 0.698}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.219, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.337, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.05, "dili": 0.14}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.635872111087118, "aff_pf": 0.34088406960169476, "aff_hs": -0.35620739062627155, "repeats_pf": {"runs": 3, "values": [-0.5093, 0.9319, 0.6001], "mean": 0.3409, "spread": 1.4413}, "repeats_hs": {"runs": 3, "values": [-0.2944, -0.4545, -0.3197], "mean": -0.3562, "spread": 0.1601}, "at": 1787101466}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101070, "scored_at": 1787101466, "alerts": [], "rank": 4213}, {"candidate_id": "ODC-0CC5CE", "res_at": 1789946030, "skeleton": "NFIRRYBFWZVLJK", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 28.129, "axes": {"activity": 6.49, "binding": 10.55, "selectivity": 2.82, "admet": 3.71, "novelty": 2.19, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 4.99, "fraction": 0.216}, "binding": {"pIC50": 6.58, "LE": 0.347, "potency_term": 0.528, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.267, "target_engagement": 0.528}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.45, "ld50-zhu": 0.417, "herg": 0.254, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 4.9895245323103605, "aff_pf": -0.5826802849769592, "aff_hs": -0.048879979799191155, "repeats_pf": {"runs": 3, "values": [-0.5373, -0.5538, -0.6569], "mean": -0.5827, "spread": 0.1196}, "repeats_hs": {"runs": 3, "values": [-0.0855, -0.0244, -0.0367], "mean": -0.0489, "spread": 0.061}, "at": 1789946030}, "tier": 1, "alerts": [], "total_sd": 0.612, "total_ci95": [27.274, 29.577], "relegate_reason": [], "submitted_at": 1789829705, "scored_at": 1789946030, "rank": 4214}, {"candidate_id": "ODC-61AE27", "res_at": 1786856061, "skeleton": "DSXNBJQSIVFLPF", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc2··········)n2n1", "total": 28.124, "axes": {"activity": 2.65, "binding": 11.35, "selectivity": 3.81, "admet": 4.05, "novelty": 3.66, "synthesis": 2.6}, "detail": {"activity": {"pAct_q10": 4.55, "fraction": 0.088}, "binding": {"pIC50": 6.7, "LE": 0.437, "potency_term": 0.568, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.568}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.977, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.299, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 4.549648675884313, "aff_pf": -0.7032217383384705, "aff_hs": -0.03134496510028839, "repeats_pf": {"runs": 3, "values": [-0.6986, -0.7022, -0.7088], "mean": -0.7032, "spread": 0.0102}, "repeats_hs": {"runs": 3, "values": [-0.1231, -0.037, 0.066], "mean": -0.0313, "spread": 0.1891}, "at": 1786856061}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848316, "scored_at": 1786856061, "alerts": [], "rank": 4215}, {"candidate_id": "ODC-9A2D7B", "res_at": 1787420405, "skeleton": "YEVZEYNXXQRJNN", "hf_user": "NILKNARFGonzo", "display_name": "2-(4-(7-(4-(pentylamino)phenyl)pyrazolo[1,5-a]pyrimidin-5-yl", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "400-450", "visibility": "public", "smiles": "CCCCCNc1ccc(-c2cc(-c3ccc(C(C)(C)C#N)cc3)nc3ccnn23)cc1", "smiles_masked": null, "total": 28.114, "axes": {"activity": 17.74, "binding": 0.92, "selectivity": 0.0, "admet": 2.42, "novelty": 4.14, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.664, "fraction": 0.591}, "binding": {"pIC50": 5.19, "LE": 0.222, "potency_term": 0.062, "efficiency_cap": 0.74}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.062}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.322, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.674, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.664256595139784, "aff_pf": 0.8128202358881632, "aff_hs": -0.041953312853972115, "repeats_pf": {"runs": 3, "values": [0.9275, 0.7429, 0.7681], "mean": 0.8128, "spread": 0.1847}, "repeats_hs": {"runs": 3, "values": [-0.1781, -0.0073, 0.0595], "mean": -0.042, "spread": 0.2376}, "at": 1787420405}, "tier": 1, "relegate_reason": [], "submitted_at": 1787420213, "scored_at": 1787420405, "alerts": [], "rank": 4216}, {"candidate_id": "ODC-59944E", "res_at": 1788516432, "skeleton": "YCGUVIBVINAWQF", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SO2Me/Me/p-OCF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 28.112, "axes": {"activity": 9.85, "binding": 8.38, "selectivity": 3.08, "admet": 3.49, "novelty": 1.32, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 6.26, "LE": 0.33, "potency_term": 0.419, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.368, "target_engagement": 0.419}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.962, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.475, "herg": 0.221, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.685, "novelty": 0.315}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.190898527721725, "aff_pf": -0.25665900607903797, "aff_hs": 0.4796321590741475, "repeats_pf": {"runs": 3, "values": [-0.2575, -0.2284, -0.2841], "mean": -0.2567, "spread": 0.0556}, "repeats_hs": {"runs": 3, "values": [0.4721, 0.509, 0.4578], "mean": 0.4796, "spread": 0.0512}, "at": 1788516432}, "tier": 1, "alerts": [], "total_sd": 0.25, "total_ci95": [27.586, 28.629], "relegate_reason": [], "submitted_at": 1788487621, "scored_at": 1788516432, "rank": 4217}, {"candidate_id": "ODC-C25ABD", "res_at": 1787070126, "skeleton": "IVLFRUSTXQSRMU", "hf_user": "snsapple", "display_name": "snsapple", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 28.091, "axes": {"activity": 16.71, "binding": 1.35, "selectivity": 0.0, "admet": 4.08, "novelty": 3.31, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.603, "fraction": 0.557}, "binding": {"pIC50": 4.92, "LE": 0.249, "potency_term": 0.081, "efficiency_cap": 0.832}, "selectivity": {"fold": 2.2, "selectivity_term": 0.166, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.631, "cyp3a4-substrate-carbonmangels": 0.627, "ld50-zhu": 0.532, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.6025130524039595, "aff_pf": 1.08382910490036, "aff_hs": 1.4166191816329956, "repeats_pf": {"runs": 3, "values": [0.8906, 1.1503, 1.2106], "mean": 1.0838, "spread": 0.32}, "repeats_hs": {"runs": 3, "values": [1.4215, 1.3161, 1.5122], "mean": 1.4166, "spread": 0.1961}, "at": 1787070126}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065032, "scored_at": 1787070126, "alerts": [], "rank": 4218}, {"candidate_id": "ODC-47443F", "res_at": 1787631010, "skeleton": "YFJZTDRTTARRLE", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 28.056, "axes": {"activity": 11.66, "binding": 7.69, "selectivity": 3.3, "admet": 1.52, "novelty": 1.94, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 6.18, "LE": 0.292, "potency_term": 0.395, "efficiency_cap": 0.974}, "selectivity": {"fold": 6.8, "selectivity_term": 0.417, "target_engagement": 0.395}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.26, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.433, "ld50-zhu": 0.314, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 5.29969738290387, "aff_pf": -0.1844348063071569, "aff_hs": 0.6504102547963461, "repeats_pf": {"runs": 3, "values": [-0.1964, -0.3505, -0.0064], "mean": -0.1844, "spread": 0.3441}, "repeats_hs": {"runs": 3, "values": [0.6017, 0.567, 0.7825], "mean": 0.6504, "spread": 0.2156}, "at": 1787631010}, "tier": 1, "relegate_reason": [], "submitted_at": 1787623763, "scored_at": 1787631010, "alerts": [], "rank": 4219}, {"candidate_id": "ODC-EB7FA4", "res_at": 1789954740, "skeleton": "YMHMLAJLVXQSJC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 28.043, "axes": {"activity": 17.15, "binding": 0.55, "selectivity": 0.0, "admet": 4.1, "novelty": 3.79, "synthesis": 2.46}, "detail": {"activity": {"pAct_q10": 5.629, "fraction": 0.572}, "binding": {"pIC50": 5.13, "LE": 0.19, "potency_term": 0.043, "efficiency_cap": 0.633}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.043}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.492, "caco2-wang": 0.565, "hia-hou": 1.0, "bioavailability-ma": 0.972, "pgp-broccatelli": 0.463, "cyp2c9-veith": 0.777, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.755, "herg": 0.05, "dili": 0.422}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.628829695972597, "aff_pf": 0.8702436685562134, "aff_hs": 0.4465433359146118, "repeats_pf": {"runs": 3, "values": [1.0038, 0.9321, 0.6749], "mean": 0.8702, "spread": 0.3289}, "repeats_hs": {"runs": 3, "values": [0.541, 0.4507, 0.3479], "mean": 0.4465, "spread": 0.1931}, "at": 1789954740}, "tier": 1, "alerts": [], "total_sd": 0.355, "total_ci95": [27.579, 28.92], "relegate_reason": [], "submitted_at": 1789863580, "scored_at": 1789954740, "rank": 4220}, {"candidate_id": "ODC-E8169E", "res_at": 1787224923, "skeleton": "DGTBIQRDSLRFOE", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 28.036, "axes": {"activity": 9.76, "binding": 11.96, "selectivity": 0.0, "admet": 3.07, "novelty": 0.84, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.325}, "binding": {"pIC50": 6.79, "LE": 0.31, "potency_term": 0.598, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.598}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.317}}, "novelty": {"max_tanimoto": 0.86, "novelty": 0.14}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.1858310997208195, "aff_pf": -0.794645369052887, "aff_hs": -1.4817336002985637, "repeats_pf": {"runs": 3, "values": [-0.9339, -0.5993, -0.8507], "mean": -0.7946, "spread": 0.3346}, "repeats_hs": {"runs": 3, "values": [-1.4511, -1.5432, -1.451], "mean": -1.4817, "spread": 0.0922}, "at": 1787224923}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220812, "scored_at": 1787224923, "alerts": [], "rank": 4221}, {"candidate_id": "ODC-934343", "res_at": 1788526038, "skeleton": "ATNCEWKNZVNDBT", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW2 cPr/CN/p-OCF3", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 28.018, "axes": {"activity": 9.58, "binding": 8.39, "selectivity": 3.53, "admet": 2.53, "novelty": 2.1, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.175, "fraction": 0.319}, "binding": {"pIC50": 6.26, "LE": 0.33, "potency_term": 0.419, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.421, "target_engagement": 0.419}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.21, "ld50-zhu": 0.57, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.174726693850361, "aff_pf": -0.2582000096638997, "aff_hs": 0.5843735337257385, "repeats_pf": {"runs": 3, "values": [-0.2818, -0.1992, -0.2936], "mean": -0.2582, "spread": 0.0944}, "repeats_hs": {"runs": 3, "values": [0.576, 0.5809, 0.5963], "mean": 0.5844, "spread": 0.0203}, "at": 1788526038}, "tier": 1, "alerts": [], "total_sd": 0.451, "total_ci95": [26.944, 28.66], "relegate_reason": [], "submitted_at": 1788488176, "scored_at": 1788526038, "rank": 4222}, {"candidate_id": "ODC-0D92C0", "res_at": 1786841900, "skeleton": "IIXBAICXCZTJBM", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.999, "axes": {"activity": 15.57, "binding": 3.98, "selectivity": 1.86, "admet": 2.22, "novelty": 1.85, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 5.534, "fraction": 0.519}, "binding": {"pIC50": 5.67, "LE": 0.268, "potency_term": 0.223, "efficiency_cap": 0.893}, "selectivity": {"fold": 6.8, "selectivity_term": 0.418, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.121, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.432, "ld50-zhu": 0.49, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.643, "novelty": 0.357}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "2", "pAct_q10": 5.533964702469277, "aff_pf": 0.3313898742198944, "aff_hs": 1.1664570569992065, "repeats_pf": {"runs": 3, "values": [0.2944, 0.3876, 0.3121], "mean": 0.3314, "spread": 0.0932}, "repeats_hs": {"runs": 3, "values": [1.1268, 1.1652, 1.2074], "mean": 1.1665, "spread": 0.0807}, "at": 1786841900}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806794, "scored_at": 1786841900, "alerts": [], "rank": 4223}, {"candidate_id": "ODC-FE7CC2", "res_at": 1786941339, "skeleton": "OFRXJLUBVWSCRU", "hf_user": "1Dmeds", "display_name": "ODC26-R2V-07", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.995, "axes": {"activity": 10.44, "binding": 9.62, "selectivity": 1.49, "admet": 3.23, "novelty": 1.5, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.226, "fraction": 0.348}, "binding": {"pIC50": 6.44, "LE": 0.315, "potency_term": 0.481, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.632}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.226137132458762, "aff_pf": -0.4428220291932424, "aff_hs": -0.13244127730528513, "repeats_pf": {"runs": 3, "values": [-0.4186, -0.4963, -0.4135], "mean": -0.4428, "spread": 0.0829}, "repeats_hs": {"runs": 3, "values": [0.0346, -0.1033, -0.3287], "mean": -0.1324, "spread": 0.3633}, "at": 1786941339}, "tier": 1, "relegate_reason": [], "submitted_at": 1786931001, "scored_at": 1786941339, "alerts": [], "rank": 4224}, {"candidate_id": "ODC-B82B95", "res_at": 1789999467, "skeleton": "HSYNERKELYOSRH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 27.985, "axes": {"activity": 12.73, "binding": 7.07, "selectivity": 0.94, "admet": 2.62, "novelty": 2.83, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.424}, "binding": {"pIC50": 6.26, "LE": 0.252, "potency_term": 0.42, "efficiency_cap": 0.841}, "selectivity": {"fold": 1.7, "selectivity_term": 0.111, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.645, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.36373947349858, "aff_pf": -0.2611272732416789, "aff_hs": -0.03816259900728861, "repeats_pf": {"runs": 3, "values": [-0.2987, -0.2485, -0.2362], "mean": -0.2611, "spread": 0.0624}, "repeats_hs": {"runs": 3, "values": [-0.093, -0.0001, -0.0213], "mean": -0.0382, "spread": 0.0929}, "at": 1789999467}, "tier": 1, "alerts": [], "total_sd": 0.194, "total_ci95": [27.645, 28.362], "relegate_reason": [], "submitted_at": 1789992989, "scored_at": 1789999467, "rank": 4225}, {"candidate_id": "ODC-6DBE50", "res_at": 1786955671, "skeleton": "QYFCTTQPOAJTBE", "hf_user": "takutoyo", "display_name": "PfD2-B3", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 27.977, "axes": {"activity": 15.02, "binding": 2.53, "selectivity": 1.27, "admet": 3.97, "novelty": 2.9, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.501, "fraction": 0.501}, "binding": {"pIC50": 5.5, "LE": 0.228, "potency_term": 0.166, "efficiency_cap": 0.761}, "selectivity": {"fold": 5.8, "selectivity_term": 0.383, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.407, "caco2-wang": 0.723, "hia-hou": 0.996, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.595, "ld50-zhu": 0.789, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.501175307976258, "aff_pf": 0.5011590520540873, "aff_hs": 1.2666923999786377, "repeats_pf": {"runs": 3, "values": [0.5136, 0.409, 0.5809], "mean": 0.5012, "spread": 0.1719}, "repeats_hs": {"runs": 3, "values": [1.2643, 1.2975, 1.2383], "mean": 1.2667, "spread": 0.0592}, "at": 1786955671}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950207, "scored_at": 1786955671, "alerts": [], "rank": 4226}, {"candidate_id": "ODC-737167", "res_at": 1786781521, "skeleton": "YGCSQQQXQXDCDY", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "350-400", "visibility": "public", "smiles": "Cn1c(C(O)(c2ccc(F)c(Cl)c2)C2CC2)nc2cn(C3CC3)c(=O)cc21", "smiles_masked": null, "total": 27.968, "axes": {"activity": 10.04, "binding": 9.06, "selectivity": 1.9, "admet": 2.74, "novelty": 2.62, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.202, "fraction": 0.335}, "binding": {"pIC50": 6.36, "LE": 0.323, "potency_term": 0.453, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.453}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.337, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.365, "herg": 0.329, "dili": 0.283}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.202378452051878, "aff_pf": -0.3590751489003499, "aff_hs": 0.059524714946746826, "repeats_pf": {"runs": 3, "values": [-0.3832, -0.2929, -0.4012], "mean": -0.3591, "spread": 0.1083}, "repeats_hs": {"runs": 2, "values": [0.0734, 0.0457], "mean": 0.0595, "spread": 0.0277}, "at": 1786781521}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779663, "scored_at": 1786781521, "alerts": [], "rank": 4227}, {"candidate_id": "ODC-596BF1", "res_at": 1787319648, "skeleton": "UYZYEVCIGBHRKG", "hf_user": "takutoyo", "display_name": "PfD12-22", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 27.951, "axes": {"activity": 16.62, "binding": 3.73, "selectivity": 0.0, "admet": 2.12, "novelty": 3.6, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.597, "fraction": 0.554}, "binding": {"pIC50": 5.71, "LE": 0.237, "potency_term": 0.236, "efficiency_cap": 0.79}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.236}, "admet": {"geometric_mean": 0.255, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.383, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.471, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.597287543770984, "aff_pf": 0.29147235800822574, "aff_hs": -0.33077170451482135, "repeats_pf": {"runs": 3, "values": [0.069, 0.3974, 0.408], "mean": 0.2915, "spread": 0.339}, "repeats_hs": {"runs": 3, "values": [-0.2991, -0.4142, -0.2791], "mean": -0.3308, "spread": 0.1351}, "at": 1787319648}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315947, "scored_at": 1787319648, "alerts": [], "rank": 4228}, {"candidate_id": "ODC-9B827F", "res_at": 1789442873, "skeleton": "DOEIRJDRUWWKPT", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 27.923, "axes": {"activity": 10.8, "binding": 8.71, "selectivity": 1.65, "admet": 2.95, "novelty": 2.56, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 6.39, "LE": 0.282, "potency_term": 0.463, "efficiency_cap": 0.941}, "selectivity": {"fold": 2.3, "selectivity_term": 0.179, "target_engagement": 0.463}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.373, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.805, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "0", "pAct_q10": 5.248211881776058, "aff_pf": -0.3879387676715851, "aff_hs": -0.030441174904505413, "repeats_pf": {"runs": 3, "values": [-0.4541, -0.3356, -0.3741], "mean": -0.3879, "spread": 0.1185}, "repeats_hs": {"runs": 3, "values": [0.0833, -0.0912, -0.0834], "mean": -0.0304, "spread": 0.1745}, "at": 1789442873}, "tier": 1, "alerts": [], "total_sd": 0.632, "total_ci95": [26.911, 29.228], "relegate_reason": [], "submitted_at": 1789437892, "scored_at": 1789442873, "rank": 4229}, {"candidate_id": "ODC-8F0D82", "res_at": 1787238487, "skeleton": "XVOWZVJOHNGCJX", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cn··········)c1=O", "total": 27.906, "axes": {"activity": 12.78, "binding": 8.05, "selectivity": 0.21, "admet": 2.07, "novelty": 3.03, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 6.27, "LE": 0.286, "potency_term": 0.422, "efficiency_cap": 0.954}, "selectivity": {"fold": 1.1, "selectivity_term": 0.024, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.117, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.809, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.366546118466539, "aff_pf": -0.265499879916509, "aff_hs": -0.21679860850175223, "repeats_pf": {"runs": 3, "values": [-0.272, -0.2684, -0.2562], "mean": -0.2655, "spread": 0.0158}, "repeats_hs": {"runs": 3, "values": [-0.1267, -0.2529, -0.2708], "mean": -0.2168, "spread": 0.1441}, "at": 1787238487}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234341, "scored_at": 1787238487, "alerts": [], "rank": 4230}, {"candidate_id": "ODC-23497D", "res_at": 1787401112, "skeleton": "BQDOHYSFCMQETF", "hf_user": "Ku-ku", "display_name": "W3_core_ringCF3", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)(F)F", "total": 27.903, "axes": {"activity": 17.27, "binding": 1.36, "selectivity": 0.0, "admet": 3.11, "novelty": 3.75, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.636, "fraction": 0.576}, "binding": {"pIC50": 4.91, "LE": 0.258, "potency_term": 0.079, "efficiency_cap": 0.862}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.592, "herg": 0.071, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.636207435298967, "aff_pf": 1.0946320692698162, "aff_hs": 0.6470595995585123, "repeats_pf": {"runs": 3, "values": [1.177, 1.0943, 1.0126], "mean": 1.0946, "spread": 0.1644}, "repeats_hs": {"runs": 3, "values": [0.6188, 0.5975, 0.7248], "mean": 0.6471, "spread": 0.1274}, "at": 1787401112}, "tier": 1, "relegate_reason": [], "submitted_at": 1787400900, "scored_at": 1787401112, "alerts": [], "rank": 4231}, {"candidate_id": "ODC-F21C08", "res_at": 1787260743, "skeleton": "YDCKSBQTNHZTHD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 27.9, "axes": {"activity": 13.8, "binding": 6.84, "selectivity": 0.0, "admet": 2.27, "novelty": 2.93, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.428, "fraction": 0.46}, "binding": {"pIC50": 6.32, "LE": 0.234, "potency_term": 0.439, "efficiency_cap": 0.78}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.439}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.428, "ld50-zhu": 0.821, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.428248171965795, "aff_pf": -0.316026508808136, "aff_hs": -0.5100446244080862, "repeats_pf": {"runs": 3, "values": [-0.4283, -0.3424, -0.1774], "mean": -0.316, "spread": 0.251}, "repeats_hs": {"runs": 3, "values": [-0.4408, -0.6072, -0.4821], "mean": -0.51, "spread": 0.1663}, "at": 1787260743}, "tier": 1, "relegate_reason": [], "submitted_at": 1787260007, "scored_at": 1787260743, "alerts": [], "rank": 4232}, {"candidate_id": "ODC-6E1C2F", "res_at": 1787135666, "skeleton": "NXQHPTMEHRFLAO", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········c2)c1", "total": 27.887, "axes": {"activity": 17.52, "binding": 0.51, "selectivity": 0.0, "admet": 3.31, "novelty": 3.79, "synthesis": 2.75}, "detail": {"activity": {"pAct_q10": 5.651, "fraction": 0.584}, "binding": {"pIC50": 4.67, "LE": 0.173, "potency_term": 0.044, "efficiency_cap": 0.577}, "selectivity": {"fold": 8.5, "selectivity_term": 0.465, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 0.89, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.49, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.651424536587459, "aff_pf": 1.3273284037907918, "aff_hs": 2.257014592488607, "repeats_pf": {"runs": 3, "values": [1.3303, 1.2859, 1.3658], "mean": 1.3273, "spread": 0.0799}, "repeats_hs": {"runs": 3, "values": [2.244, 2.2609, 2.2661], "mean": 2.257, "spread": 0.0221}, "at": 1787135666}, "tier": 1, "relegate_reason": [], "submitted_at": 1787134832, "scored_at": 1787135666, "alerts": [], "rank": 4233}, {"candidate_id": "ODC-F8C0A2", "res_at": 1787890250, "skeleton": "CTHWKZSJWJBOGS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-14", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 27.883, "axes": {"activity": 13.11, "binding": 5.59, "selectivity": 2.01, "admet": 2.65, "novelty": 2.74, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.387, "fraction": 0.437}, "binding": {"pIC50": 5.96, "LE": 0.263, "potency_term": 0.318, "efficiency_cap": 0.877}, "selectivity": {"fold": 4.3, "selectivity_term": 0.316, "target_engagement": 0.318}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.102, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.386633037175208, "aff_pf": 0.04487898573279381, "aff_hs": 0.6770526965459188, "repeats_pf": {"runs": 3, "values": [0.0745, -0.035, 0.0951], "mean": 0.0449, "spread": 0.1301}, "repeats_hs": {"runs": 3, "values": [0.6088, 0.698, 0.7244], "mean": 0.6771, "spread": 0.1157}, "at": 1787890250}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841238, "scored_at": 1787890250, "alerts": [], "rank": 4234}, {"candidate_id": "ODC-F5CA1A", "res_at": 1786823326, "skeleton": "DQUOLFJNKCPHOZ", "hf_user": "ipsych", "display_name": "TPS-SCH2cPr-4Cl3Br", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.88, "axes": {"activity": 12.48, "binding": 7.71, "selectivity": 1.57, "admet": 2.18, "novelty": 2.01, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 6.16, "LE": 0.351, "potency_term": 0.385, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.203, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.51, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.268, "ld50-zhu": 0.423, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.34895777360081, "aff_pf": -0.15620825439691544, "aff_hs": 0.2504511872927348, "repeats_pf": {"runs": 3, "values": [-0.1104, -0.1279, -0.2303], "mean": -0.1562, "spread": 0.1199}, "repeats_hs": {"runs": 3, "values": [0.1069, 0.1979, 0.4465], "mean": 0.2505, "spread": 0.3396}, "at": 1786823326}, "tier": 1, "relegate_reason": [], "submitted_at": 1786790110, "scored_at": 1786823326, "alerts": [], "rank": 4235}, {"candidate_id": "ODC-887CF5", "res_at": 1786951994, "skeleton": "SMWCPBSNXCWTGW", "hf_user": "takutoyo", "display_name": "PfD2-A1", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCn1cc··········2c1=O", "total": 27.867, "axes": {"activity": 14.24, "binding": 3.89, "selectivity": 2.56, "admet": 2.78, "novelty": 2.78, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 5.79, "LE": 0.221, "potency_term": 0.265, "efficiency_cap": 0.735}, "selectivity": {"fold": 9.2, "selectivity_term": 0.483, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.146}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "2", "pAct_q10": 5.454224144510013, "aff_pf": 0.2058103879292806, "aff_hs": 1.1712031761805217, "repeats_pf": {"runs": 3, "values": [0.1453, 0.2622, 0.21], "mean": 0.2058, "spread": 0.1169}, "repeats_hs": {"runs": 3, "values": [1.0751, 1.2614, 1.1771], "mean": 1.1712, "spread": 0.1863}, "at": 1786951994}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950093, "scored_at": 1786951994, "alerts": [], "rank": 4236}, {"candidate_id": "ODC-4E2E40", "res_at": 1787496923, "skeleton": "SMFZAVJXLUDRAT", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········(C)n1", "total": 27.861, "axes": {"activity": 12.52, "binding": 6.53, "selectivity": 2.23, "admet": 1.89, "novelty": 2.6, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.27, "LE": 0.232, "potency_term": 0.422, "efficiency_cap": 0.773}, "selectivity": {"fold": 3.4, "selectivity_term": 0.264, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 0.997, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.713, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.539, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 5.351412694887252, "aff_pf": -0.26636697351932526, "aff_hs": 0.2614050606886546, "repeats_pf": {"runs": 3, "values": [-0.2271, -0.2544, -0.3176], "mean": -0.2664, "spread": 0.0906}, "repeats_hs": {"runs": 3, "values": [0.2914, 0.256, 0.2369], "mean": 0.2614, "spread": 0.0545}, "at": 1787496923}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491758, "scored_at": 1787496923, "alerts": [], "rank": 4237}, {"candidate_id": "ODC-C510D8", "res_at": 1789556569, "skeleton": "GAMVBDXTHOCZFM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 27.846, "axes": {"activity": 12.91, "binding": 7.62, "selectivity": 0.5, "admet": 3.3, "novelty": 2.37, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 6.24, "LE": 0.276, "potency_term": 0.414, "efficiency_cap": 0.92}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.414}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.424, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.78, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.975, "ld50-zhu": 0.94, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "0", "pAct_q10": 5.374404085348609, "aff_pf": -0.2432828942934672, "aff_hs": -0.12347845236460368, "repeats_pf": {"runs": 3, "values": [-0.2269, -0.3063, -0.1967], "mean": -0.2433, "spread": 0.1096}, "repeats_hs": {"runs": 3, "values": [-0.0583, -0.1076, -0.2046], "mean": -0.1235, "spread": 0.1463}, "at": 1789556569}, "tier": 1, "alerts": [], "total_sd": 0.355, "total_ci95": [27.221, 28.613], "relegate_reason": [], "submitted_at": 1789529776, "scored_at": 1789556569, "rank": 4238}, {"candidate_id": "ODC-168FCA", "res_at": 1789953832, "skeleton": "OAHHUCWHWDCNSG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 27.813, "axes": {"activity": 17.28, "binding": 0.73, "selectivity": 0.05, "admet": 3.71, "novelty": 3.56, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 5.18, "LE": 0.187, "potency_term": 0.058, "efficiency_cap": 0.622}, "selectivity": {"fold": 1.2, "selectivity_term": 0.045, "target_engagement": 0.058}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 0.978, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.711, "herg": 0.05, "dili": 0.556}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.6368172321566155, "aff_pf": 0.8246681988239288, "aff_hs": 0.9155229131380717, "repeats_pf": {"runs": 3, "values": [0.4121, 1.0427, 1.0192], "mean": 0.8247, "spread": 0.6305}, "repeats_hs": {"runs": 3, "values": [0.927, 0.999, 0.8206], "mean": 0.9155, "spread": 0.1785}, "at": 1789953832}, "tier": 1, "alerts": [], "total_sd": 0.638, "total_ci95": [27.753, 30.605], "relegate_reason": [], "submitted_at": 1789863574, "scored_at": 1789953832, "rank": 4239}, {"candidate_id": "ODC-0B6ED1", "res_at": 1787267225, "skeleton": "SPJRABCCNOAGCE", "hf_user": "ipsych", "display_name": "OCB-isopentyl-cPr-oCF3", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 27.809, "axes": {"activity": 16.23, "binding": 1.87, "selectivity": 0.75, "admet": 2.73, "novelty": 3.91, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.574, "fraction": 0.541}, "binding": {"pIC50": 5.41, "LE": 0.206, "potency_term": 0.136, "efficiency_cap": 0.686}, "selectivity": {"fold": 3.6, "selectivity_term": 0.276, "target_engagement": 0.136}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.609, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.756, "herg": 0.082, "dili": 0.513}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.574031703411174, "aff_pf": 0.5916379491488138, "aff_hs": 1.143263300259908, "repeats_pf": {"runs": 3, "values": [0.5282, 0.5403, 0.7065], "mean": 0.5916, "spread": 0.1783}, "repeats_hs": {"runs": 3, "values": [1.1013, 1.1086, 1.2199], "mean": 1.1433, "spread": 0.1186}, "at": 1787267225}, "tier": 1, "relegate_reason": [], "submitted_at": 1787266855, "scored_at": 1787267225, "alerts": [], "rank": 4240}, {"candidate_id": "ODC-A4B8A1", "res_at": 1789068191, "skeleton": "YQTDLJYBHPDHLW", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········ccc12", "total": 27.806, "axes": {"activity": 17.77, "binding": 1.09, "selectivity": 0.02, "admet": 2.43, "novelty": 3.79, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.666, "fraction": 0.592}, "binding": {"pIC50": 5.25, "LE": 0.2, "potency_term": 0.082, "efficiency_cap": 0.666}, "selectivity": {"fold": 1.1, "selectivity_term": 0.014, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 5.666159006847877, "aff_pf": 0.7534470955530802, "aff_hs": 0.7810920079549154, "repeats_pf": {"runs": 3, "values": [0.851, 0.7076, 0.7018], "mean": 0.7534, "spread": 0.1492}, "repeats_hs": {"runs": 3, "values": [0.7731, 0.7463, 0.8239], "mean": 0.7811, "spread": 0.0776}, "at": 1789068191}, "tier": 1, "alerts": [], "total_sd": 0.224, "total_ci95": [27.338, 28.119], "relegate_reason": [], "submitted_at": 1789045906, "scored_at": 1789068191, "rank": 4241}, {"candidate_id": "ODC-4EFF4F", "res_at": 1787376675, "skeleton": "RBHVYRNAZWVHBV", "hf_user": "1Dmeds", "display_name": "ODC26-G11", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 27.803, "axes": {"activity": 15.58, "binding": 4.11, "selectivity": 0.0, "admet": 2.16, "novelty": 3.46, "synthesis": 2.5}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.519}, "binding": {"pIC50": 5.79, "LE": 0.233, "potency_term": 0.264, "efficiency_cap": 0.778}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.436}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.534711594981837, "aff_pf": 0.20740366478761038, "aff_hs": 0.002959651251633962, "repeats_pf": {"runs": 3, "values": [0.15, 0.2715, 0.2007], "mean": 0.2074, "spread": 0.1215}, "repeats_hs": {"runs": 3, "values": [-0.0867, -0.0264, 0.122], "mean": 0.003, "spread": 0.2087}, "at": 1787376675}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372714, "scored_at": 1787376675, "alerts": [], "rank": 4242}, {"candidate_id": "ODC-10F7F5", "res_at": 1786790619, "skeleton": "QNXJZOZMWQCAQV", "hf_user": "DOATC", "display_name": "SOL_23HA_PBR_OME", "model_name": "gptsol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.795, "axes": {"activity": 7.94, "binding": 8.92, "selectivity": 4.1, "admet": 2.97, "novelty": 1.77, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.076, "fraction": 0.265}, "binding": {"pIC50": 6.34, "LE": 0.378, "potency_term": 0.446, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.144, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.33, "herg": 0.364, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.603, "novelty": 0.397}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.076316423899471, "aff_pf": -0.33834053079287213, "aff_hs": 0.5806006987889608, "repeats_pf": {"runs": 3, "values": [-0.298, -0.3691, -0.3479], "mean": -0.3383, "spread": 0.0712}, "repeats_hs": {"runs": 3, "values": [0.6668, 0.5358, 0.5392], "mean": 0.5806, "spread": 0.131}, "at": 1786790619}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782739, "scored_at": 1786790619, "alerts": [], "rank": 4243}, {"candidate_id": "ODC-DBB79D", "res_at": 1787230553, "skeleton": "JAWWCRSVULPMSJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········23)C1", "total": 27.791, "axes": {"activity": 15.64, "binding": 2.7, "selectivity": 1.86, "admet": 2.36, "novelty": 3.28, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.538, "fraction": 0.521}, "binding": {"pIC50": 5.56, "LE": 0.218, "potency_term": 0.186, "efficiency_cap": 0.725}, "selectivity": {"fold": 9.9, "selectivity_term": 0.498, "target_engagement": 0.186}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.777, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.53845055425272, "aff_pf": 0.44121284286181134, "aff_hs": 1.4376112222671509, "repeats_pf": {"runs": 3, "values": [0.4054, 0.2979, 0.6203], "mean": 0.4412, "spread": 0.3224}, "repeats_hs": {"runs": 3, "values": [1.3457, 1.5734, 1.3937], "mean": 1.4376, "spread": 0.2277}, "at": 1787230553}, "tier": 1, "relegate_reason": [], "submitted_at": 1787228794, "scored_at": 1787230553, "alerts": [], "rank": 4244}, {"candidate_id": "ODC-F0FA1D", "res_at": 1787709765, "skeleton": "WQOSMIKZIMTHDM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 27.778, "axes": {"activity": 11.16, "binding": 7.82, "selectivity": 1.9, "admet": 3.24, "novelty": 3.01, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 6.24, "LE": 0.285, "potency_term": 0.412, "efficiency_cap": 0.949}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.664, "cyp2c9-veith": 0.967, "cyp3a4-substrate-carbonmangels": 0.08, "ld50-zhu": 0.727, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.229, "novelty": 0.771}, "synthesis": {"sa_score": 4.86}}, "run": {"gpu": "3", "pAct_q10": 5.269809039263897, "aff_pf": -0.23606924712657928, "aff_hs": 0.22554961840311685, "repeats_pf": {"runs": 3, "values": [-0.6831, -0.0837, 0.0586], "mean": -0.2361, "spread": 0.7416}, "repeats_hs": {"runs": 3, "values": [0.16, 0.261, 0.2557], "mean": 0.2255, "spread": 0.101}, "at": 1787709765}, "tier": 1, "relegate_reason": [], "submitted_at": 1787709569, "scored_at": 1787709765, "alerts": [], "rank": 4245}, {"candidate_id": "ODC-FF31D0", "res_at": 1786953004, "skeleton": "MJFDJCFNYLRICT", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-04", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 27.777, "axes": {"activity": 15.59, "binding": 2.47, "selectivity": 0.83, "admet": 3.55, "novelty": 2.83, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 5.37, "LE": 0.35, "potency_term": 0.123, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.123}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.438, "herg": 0.227, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.53536054783544, "aff_pf": 0.6298750340938568, "aff_hs": 1.2995903094609578, "repeats_pf": {"runs": 3, "values": [0.7549, 0.4628, 0.6719], "mean": 0.6299, "spread": 0.2921}, "repeats_hs": {"runs": 3, "values": [1.3001, 1.2887, 1.31], "mean": 1.2996, "spread": 0.0213}, "at": 1786953004}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949073, "scored_at": 1786953004, "alerts": [], "rank": 4246}, {"candidate_id": "ODC-FB0B9F", "res_at": 1788143033, "skeleton": "WXDTVWNQXNJMSZ", "hf_user": "Bio-JS", "display_name": "K6 코어호핑 트라이아졸로[4,3-a]피리미딘", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.748, "axes": {"activity": 14.92, "binding": 3.28, "selectivity": 0.54, "admet": 3.81, "novelty": 2.94, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.495, "fraction": 0.497}, "binding": {"pIC50": 5.49, "LE": 0.327, "potency_term": 0.164, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.166, "target_engagement": 0.164}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.483, "ld50-zhu": 0.261, "herg": 0.802, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.495201575856001, "aff_pf": 0.5085315903027853, "aff_hs": 0.8406757513682047, "repeats_pf": {"runs": 3, "values": [0.5386, 0.5124, 0.4745], "mean": 0.5085, "spread": 0.0641}, "repeats_hs": {"runs": 3, "values": [0.8152, 0.8545, 0.8523], "mean": 0.8407, "spread": 0.0393}, "at": 1788143033}, "tier": 1, "alerts": [], "total_sd": 0.15, "total_ci95": [27.469, 28.072], "relegate_reason": [], "submitted_at": 1788139241, "scored_at": 1788143033, "rank": 4247}, {"candidate_id": "ODC-71433E", "res_at": 1788447656, "skeleton": "GWQIIJBIYSYDLU", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 27.739, "axes": {"activity": 16.63, "binding": 2.14, "selectivity": 0.33, "admet": 3.8, "novelty": 2.99, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.598, "fraction": 0.554}, "binding": {"pIC50": 5.39, "LE": 0.246, "potency_term": 0.13, "efficiency_cap": 0.821}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.702, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 0.94, "ld50-zhu": 0.794, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "0", "pAct_q10": 5.597990626468924, "aff_pf": 0.6090766390164694, "aff_hs": 0.8606959780057272, "repeats_pf": {"runs": 3, "values": [0.7163, 0.5143, 0.5966], "mean": 0.6091, "spread": 0.202}, "repeats_hs": {"runs": 3, "values": [0.9806, 0.9358, 0.6657], "mean": 0.8607, "spread": 0.3149}, "at": 1788447656}, "tier": 1, "alerts": [], "total_sd": 0.372, "total_ci95": [27.106, 28.537], "relegate_reason": [], "submitted_at": 1788381574, "scored_at": 1788447656, "rank": 4248}, {"candidate_id": "ODC-E1EBDA", "res_at": 1786940744, "skeleton": "PJSSGJKFMKLDGG", "hf_user": "1Dmeds", "display_name": "ODC26-R2V-08", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 27.738, "axes": {"activity": 10.21, "binding": 8.14, "selectivity": 2.85, "admet": 2.83, "novelty": 1.68, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.213, "fraction": 0.34}, "binding": {"pIC50": 6.22, "LE": 0.406, "potency_term": 0.407, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.35, "target_engagement": 0.407}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.451, "ld50-zhu": 0.359, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.588, "novelty": 0.412}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.212899590319785, "aff_pf": -0.2212428649266561, "aff_hs": 0.47923483451207477, "repeats_pf": {"runs": 3, "values": [-0.2686, -0.2077, -0.1874], "mean": -0.2212, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [0.5926, 0.4993, 0.3459], "mean": 0.4792, "spread": 0.2467}, "at": 1786940744}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930979, "scored_at": 1786940744, "alerts": [], "rank": 4249}, {"candidate_id": "ODC-8723B4", "res_at": 1789954204, "skeleton": "DGKXPMLLMWSNED", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 27.727, "axes": {"activity": 14.55, "binding": 3.14, "selectivity": 0.96, "admet": 3.88, "novelty": 3.38, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 5.64, "LE": 0.221, "potency_term": 0.213, "efficiency_cap": 0.736}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.569, "caco2-wang": 0.651, "hia-hou": 1.0, "bioavailability-ma": 0.862, "pgp-broccatelli": 0.253, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.79, "herg": 0.1, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "0", "pAct_q10": 5.473135543232848, "aff_pf": 0.3605550428231557, "aff_hs": 0.8117172122001648, "repeats_pf": {"runs": 3, "values": [0.6537, 0.2591, 0.1689], "mean": 0.3606, "spread": 0.4848}, "repeats_hs": {"runs": 3, "values": [0.8437, 0.8565, 0.735], "mean": 0.8117, "spread": 0.1215}, "at": 1789954204}, "tier": 1, "alerts": [], "total_sd": 1.06, "total_ci95": [25.463, 29.613], "relegate_reason": [], "submitted_at": 1789863614, "scored_at": 1789954204, "rank": 4250}, {"candidate_id": "ODC-F6914E", "res_at": 1786834963, "skeleton": "MWFYBKWPFCMBAH", "hf_user": "topabaem", "display_name": "Topabaem", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········C(F)F", "total": 27.71, "axes": {"activity": 11.96, "binding": 7.83, "selectivity": 2.4, "admet": 2.7, "novelty": 1.69, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 6.24, "LE": 0.285, "potency_term": 0.413, "efficiency_cap": 0.949}, "selectivity": {"fold": 3.8, "selectivity_term": 0.291, "target_engagement": 0.413}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.655, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.787, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 4.02}}, "run": {"gpu": "2", "pAct_q10": 5.3178667406562505, "aff_pf": -0.2375534176826477, "aff_hs": 0.34443626801172894, "repeats_pf": {"runs": 3, "values": [-0.121, -0.2515, -0.3401], "mean": -0.2376, "spread": 0.2192}, "repeats_hs": {"runs": 3, "values": [0.2649, 0.2355, 0.5329], "mean": 0.3444, "spread": 0.2974}, "at": 1786834963}, "tier": 1, "relegate_reason": [], "submitted_at": 1786802856, "scored_at": 1786834963, "alerts": [], "rank": 4251}, {"candidate_id": "ODC-9E193A", "res_at": 1789013249, "skeleton": "MASCZXGETPQNML", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········cc1Cl", "total": 27.71, "axes": {"activity": 12.33, "binding": 8.03, "selectivity": 0.0, "admet": 2.78, "novelty": 3.07, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 6.2, "LE": 0.315, "potency_term": 0.402, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.402}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.279, "cyp3a4-substrate-carbonmangels": 0.309, "ld50-zhu": 0.475, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.339650626175343, "aff_pf": -0.20493491987387338, "aff_hs": -0.24504106740156809, "repeats_pf": {"runs": 3, "values": [-0.2883, -0.1716, -0.1549], "mean": -0.2049, "spread": 0.1333}, "repeats_hs": {"runs": 3, "values": [-0.2417, -0.1791, -0.3142], "mean": -0.245, "spread": 0.1351}, "at": 1789013249}, "tier": 1, "alerts": [], "total_sd": 0.329, "total_ci95": [27.377, 28.694], "relegate_reason": [], "submitted_at": 1789012661, "scored_at": 1789013249, "rank": 4252}, {"candidate_id": "ODC-C7B23B", "res_at": 1787900319, "skeleton": "XAHRPAISIRMSIB", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········(C)n1", "total": 27.692, "axes": {"activity": 12.34, "binding": 4.44, "selectivity": 2.43, "admet": 3.86, "novelty": 3.12, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.411}, "binding": {"pIC50": 5.87, "LE": 0.23, "potency_term": 0.29, "efficiency_cap": 0.766}, "selectivity": {"fold": 6.9, "selectivity_term": 0.42, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.625, "per_endpoint": {"solubility-aqsoldb": 0.481, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.992, "cyp2c9-veith": 0.604, "cyp3a4-substrate-carbonmangels": 0.427, "ld50-zhu": 0.875, "herg": 0.689, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.340574698332563, "aff_pf": 0.13112291445334753, "aff_hs": 0.9709992011388143, "repeats_pf": {"runs": 3, "values": [0.1509, 0.2088, 0.0337], "mean": 0.1311, "spread": 0.1751}, "repeats_hs": {"runs": 3, "values": [1.0964, 0.9547, 0.8619], "mean": 0.971, "spread": 0.2346}, "at": 1787900319}, "tier": 1, "relegate_reason": [], "submitted_at": 1787876680, "scored_at": 1787900319, "alerts": [], "rank": 4253}, {"candidate_id": "ODC-F976DB", "res_at": 1786796516, "skeleton": "NNYXGTARKVYFET", "hf_user": "DOATC", "display_name": "DO/KATA/SD", "model_name": "OpenAI GPT-5.6 luna", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.666, "axes": {"activity": 5.86, "binding": 9.17, "selectivity": 5.26, "admet": 3.51, "novelty": 1.92, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 4.952, "fraction": 0.195}, "binding": {"pIC50": 6.37, "LE": 0.38, "potency_term": 0.458, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.574, "target_engagement": 0.458}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.699, "cyp3a4-substrate-carbonmangels": 0.298, "ld50-zhu": 0.358, "herg": 0.507, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 4.951697297130168, "aff_pf": -0.3748367726802826, "aff_hs": 0.7739017407099406, "repeats_pf": {"runs": 3, "values": [-0.3557, -0.3618, -0.407], "mean": -0.3748, "spread": 0.0513}, "repeats_hs": {"runs": 3, "values": [0.8194, 0.7509, 0.7514], "mean": 0.7739, "spread": 0.0686}, "at": 1786796516}, "tier": 1, "relegate_reason": [], "submitted_at": 1786784989, "scored_at": 1786796516, "alerts": [], "rank": 4254}, {"candidate_id": "ODC-62F21B", "res_at": 1789210462, "skeleton": "QTEBHTWLQBTKMM", "hf_user": "Bio-JS", "display_name": "0912-S1-x2N_anilCHF2F", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nc2n··········)n2n1", "total": 27.651, "axes": {"activity": 13.07, "binding": 4.53, "selectivity": 1.51, "admet": 3.92, "novelty": 2.69, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 5.68, "LE": 0.354, "potency_term": 0.226, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.226}, "admet": {"geometric_mean": 0.6, "per_endpoint": {"solubility-aqsoldb": 0.455, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.793, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.344, "herg": 0.932, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.384201705880818, "aff_pf": 0.32089389860630035, "aff_hs": 0.9893142382303873, "repeats_pf": {"runs": 3, "values": [0.3789, 0.5321, 0.0517], "mean": 0.3209, "spread": 0.4804}, "repeats_hs": {"runs": 3, "values": [1.0256, 0.9583, 0.984], "mean": 0.9893, "spread": 0.0673}, "at": 1789210462}, "tier": 1, "alerts": [], "total_sd": 1.28, "total_ci95": [25.911, 30.897], "relegate_reason": [], "submitted_at": 1789177563, "scored_at": 1789210462, "rank": 4255}, {"candidate_id": "ODC-FAA354", "res_at": 1787727722, "skeleton": "HZKPXSAPJZEWJU", "hf_user": "Moonweave", "display_name": "M5AI-P12-CN-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········c1C#N", "total": 27.635, "axes": {"activity": 12.06, "binding": 8.98, "selectivity": 0.26, "admet": 1.6, "novelty": 2.82, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.323, "fraction": 0.402}, "binding": {"pIC50": 6.42, "LE": 0.284, "potency_term": 0.474, "efficiency_cap": 0.946}, "selectivity": {"fold": 1.1, "selectivity_term": 0.027, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.237, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.58, "herg": 0.062, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.323338528686461, "aff_pf": -0.4234462082386017, "aff_hs": -0.36868634323279065, "repeats_pf": {"runs": 3, "values": [-0.7018, -0.2934, -0.2751], "mean": -0.4234, "spread": 0.4267}, "repeats_hs": {"runs": 3, "values": [-0.4873, -0.1667, -0.4521], "mean": -0.3687, "spread": 0.3206}, "at": 1787727722}, "tier": 1, "relegate_reason": [], "submitted_at": 1787726052, "scored_at": 1787727722, "alerts": [], "rank": 4256}, {"candidate_id": "ODC-EE2F7D", "res_at": 1789992371, "skeleton": "JMABZOOACJEXFN", "hf_user": "Bio-JS", "display_name": "0921-S1-05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 27.624, "axes": {"activity": 11.77, "binding": 6.52, "selectivity": 2.37, "admet": 3.0, "novelty": 2.37, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 5.98, "LE": 0.328, "potency_term": 0.326, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.364, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.923, "cyp3a4-substrate-carbonmangels": 0.093, "ld50-zhu": 0.537, "herg": 0.253, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 5.30632504440888, "aff_pf": 0.022675176461537678, "aff_hs": 0.7515844504038492, "repeats_pf": {"runs": 3, "values": [0.0228, 0.0407, 0.0045], "mean": 0.0227, "spread": 0.0363}, "repeats_hs": {"runs": 3, "values": [0.5482, 0.9241, 0.7825], "mean": 0.7516, "spread": 0.3758}, "at": 1789992371}, "tier": 1, "alerts": [], "total_sd": 0.309, "total_ci95": [27.033, 28.265], "relegate_reason": [], "submitted_at": 1789989753, "scored_at": 1789992371, "rank": 4257}, {"candidate_id": "ODC-EBA862", "res_at": 1789351356, "skeleton": "UFGFRPXFWDYYEF", "hf_user": "Bio-JS", "display_name": "0914-S1-div07", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1C", "total": 27.606, "axes": {"activity": 11.85, "binding": 7.39, "selectivity": 2.15, "admet": 1.99, "novelty": 2.5, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.311, "fraction": 0.395}, "binding": {"pIC50": 6.11, "LE": 0.335, "potency_term": 0.369, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.291, "target_engagement": 0.369}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.367, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.311087811660461, "aff_pf": -0.1078324814637502, "aff_hs": 0.47346965471903485, "repeats_pf": {"runs": 3, "values": [-0.2047, -0.0569, -0.0619], "mean": -0.1078, "spread": 0.1478}, "repeats_hs": {"runs": 3, "values": [0.4522, 0.5028, 0.4654], "mean": 0.4735, "spread": 0.0506}, "at": 1789351356}, "tier": 1, "alerts": [], "total_sd": 0.46, "total_ci95": [26.954, 28.334], "relegate_reason": [], "submitted_at": 1789346093, "scored_at": 1789351356, "rank": 4258}, {"candidate_id": "ODC-64BC47", "res_at": 1787029669, "skeleton": "XQQBNUATBCZAEV", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 27.597, "axes": {"activity": 14.37, "binding": 6.31, "selectivity": 0.0, "admet": 4.01, "novelty": 1.22, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.462, "fraction": 0.479}, "binding": {"pIC50": 5.97, "LE": 0.292, "potency_term": 0.324, "efficiency_cap": 0.974}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.72, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.837, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.764, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.746, "novelty": 0.254}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "3", "pAct_q10": 5.462265729796414, "aff_pf": 0.028120836863915127, "aff_hs": -0.2017275094985962, "repeats_pf": {"runs": 3, "values": [0.0528, -0.1014, 0.133], "mean": 0.0281, "spread": 0.2344}, "repeats_hs": {"runs": 3, "values": [-0.2302, -0.158, -0.2171], "mean": -0.2017, "spread": 0.0722}, "at": 1787029669}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029231, "scored_at": 1787029669, "alerts": [], "rank": 4259}, {"candidate_id": "ODC-98C422", "res_at": 1786787293, "skeleton": "IHZCFFAEVRSLBP", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "350-400", "visibility": "public", "smiles": "CC[C@@](O)(c1ccc(F)c(Cl)c1)c1nc2cn(C3CC3)c(=O)nc2n1C", "smiles_masked": null, "total": 27.593, "axes": {"activity": 13.53, "binding": 7.25, "selectivity": 0.0, "admet": 3.14, "novelty": 2.1, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.412, "fraction": 0.451}, "binding": {"pIC50": 6.09, "LE": 0.321, "potency_term": 0.362, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.362}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.514, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.674, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.332, "herg": 0.346, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.535, "novelty": 0.465}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 5.411747853232587, "aff_pf": -0.08689666291077931, "aff_hs": -0.19070059061050415, "repeats_pf": {"runs": 3, "values": [-0.1472, 0.0157, -0.1291], "mean": -0.0869, "spread": 0.1629}, "repeats_hs": {"runs": 1, "values": [-0.1907], "mean": -0.1907, "spread": 0.0}, "at": 1786787293}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781119, "scored_at": 1786787293, "alerts": [], "rank": 4260}, {"candidate_id": "ODC-6618E7", "res_at": 1786795041, "skeleton": "URFLDVTYBSJODW", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "deepseek v4 flash", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.566, "axes": {"activity": 12.01, "binding": 7.45, "selectivity": 2.11, "admet": 2.83, "novelty": 1.17, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 6.12, "LE": 0.364, "potency_term": 0.372, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.659, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.429, "herg": 0.196, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.708, "novelty": 0.292}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "3", "pAct_q10": 5.320659803880668, "aff_pf": -0.11706779648860295, "aff_hs": 0.4493885536988576, "repeats_pf": {"runs": 3, "values": [-0.1038, -0.1253, -0.1221], "mean": -0.1171, "spread": 0.0214}, "repeats_hs": {"runs": 3, "values": [0.5337, 0.4607, 0.3538], "mean": 0.4494, "spread": 0.1799}, "at": 1786795041}, "tier": 1, "relegate_reason": [], "submitted_at": 1786784111, "scored_at": 1786795041, "alerts": [], "rank": 4261}, {"candidate_id": "ODC-79FA61", "res_at": 1787453192, "skeleton": "OFARNGNBCNIZPC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1N=c2··········C1CC1", "total": 27.557, "axes": {"activity": 11.08, "binding": 9.31, "selectivity": 0.0, "admet": 3.83, "novelty": 2.23, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.369}, "binding": {"pIC50": 6.43, "LE": 0.294, "potency_term": 0.476, "efficiency_cap": 0.978}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.466, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.507, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.794, "herg": 0.216, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.521, "novelty": 0.479}, "synthesis": {"sa_score": 4.35}}, "run": {"gpu": "3", "pAct_q10": 5.264850742074356, "aff_pf": -0.4275398552417755, "aff_hs": -0.5328198174635569, "repeats_pf": {"runs": 3, "values": [-0.3936, -0.4502, -0.4388], "mean": -0.4275, "spread": 0.0566}, "repeats_hs": {"runs": 3, "values": [-0.5241, -0.4955, -0.5789], "mean": -0.5328, "spread": 0.0834}, "at": 1787453192}, "tier": 1, "relegate_reason": [], "submitted_at": 1787452994, "scored_at": 1787453192, "alerts": [], "rank": 4262}, {"candidate_id": "ODC-1FAC4C", "res_at": 1789091750, "skeleton": "KJLLNAHNXDRCKP", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········nc2n1", "total": 27.553, "axes": {"activity": 15.46, "binding": 2.19, "selectivity": 0.87, "admet": 4.58, "novelty": 2.85, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.528, "fraction": 0.515}, "binding": {"pIC50": 5.39, "LE": 0.254, "potency_term": 0.129, "efficiency_cap": 0.848}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.129}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.508, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.589, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.716, "herg": 0.199, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "0", "pAct_q10": 5.527690194154749, "aff_pf": 0.6130555868148804, "aff_hs": 1.2904632488886516, "repeats_pf": {"runs": 3, "values": [0.5756, 0.6644, 0.5991], "mean": 0.6131, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [1.2876, 1.2907, 1.2931], "mean": 1.2905, "spread": 0.0055}, "at": 1789091750}, "tier": 1, "alerts": [], "total_sd": 0.203, "total_ci95": [27.073, 27.92], "relegate_reason": [], "submitted_at": 1789088769, "scored_at": 1789091750, "rank": 4263}, {"candidate_id": "ODC-CFD04C", "res_at": 1788795087, "skeleton": "KKEQDMGGKLSIAA", "hf_user": "Bio-JS", "display_name": "0907-S1-17", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cc(-··········2)cn1", "total": 27.537, "axes": {"activity": 9.6, "binding": 7.7, "selectivity": 3.65, "admet": 2.29, "novelty": 2.51, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.176, "fraction": 0.32}, "binding": {"pIC50": 6.16, "LE": 0.301, "potency_term": 0.385, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.474, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.566, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.664, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.175754900881492, "aff_pf": -0.15503107011318207, "aff_hs": 0.7928850452105204, "repeats_pf": {"runs": 3, "values": [-0.1732, -0.1736, -0.1183], "mean": -0.155, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [0.8849, 0.6046, 0.8892], "mean": 0.7929, "spread": 0.2846}, "at": 1788795087}, "tier": 1, "alerts": [], "total_sd": 0.415, "total_ci95": [26.795, 28.266], "relegate_reason": [], "submitted_at": 1788707735, "scored_at": 1788795087, "rank": 4264}, {"candidate_id": "ODC-CA60F9", "res_at": 1787554914, "skeleton": "MASYFEBAEXTCSZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)C(··········2)CC1", "total": 27.535, "axes": {"activity": 12.54, "binding": 6.56, "selectivity": 0.83, "admet": 3.47, "novelty": 3.04, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.01, "LE": 0.294, "potency_term": 0.335, "efficiency_cap": 0.979}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.335}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 0.974, "pgp-broccatelli": 0.965, "cyp2c9-veith": 0.909, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.991, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "3", "pAct_q10": 5.352617514504587, "aff_pf": -0.005054158469041188, "aff_hs": 0.24267243345578512, "repeats_pf": {"runs": 3, "values": [-0.0344, -0.0015, 0.0208], "mean": -0.0051, "spread": 0.0552}, "repeats_hs": {"runs": 3, "values": [0.254, 0.1148, 0.3592], "mean": 0.2427, "spread": 0.2444}, "at": 1787554914}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537124, "scored_at": 1787554914, "alerts": [], "rank": 4265}, {"candidate_id": "ODC-9F65E6", "res_at": 1786889416, "skeleton": "KIMCHJTZNRLTNU", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········C)c1F", "total": 27.524, "axes": {"activity": 10.57, "binding": 8.51, "selectivity": 1.61, "admet": 2.67, "novelty": 3.12, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.234, "fraction": 0.352}, "binding": {"pIC50": 6.28, "LE": 0.307, "potency_term": 0.426, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.426}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.503, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.344, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.884, "herg": 0.05, "dili": 0.172}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 4.29}}, "run": {"gpu": "2", "pAct_q10": 5.234494746194207, "aff_pf": -0.2769123911857605, "aff_hs": 0.10049014290173848, "repeats_pf": {"runs": 3, "values": [-0.2676, -0.3072, -0.256], "mean": -0.2769, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [-0.0638, 0.066, 0.2992], "mean": 0.1005, "spread": 0.363}, "at": 1786889416}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880476, "scored_at": 1786889416, "alerts": [], "rank": 4266}, {"candidate_id": "ODC-079662", "res_at": 1789607051, "skeleton": "YDQKADBXJKJVET", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 27.509, "axes": {"activity": 11.93, "binding": 7.41, "selectivity": 2.41, "admet": 2.05, "novelty": 2.72, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 5.316, "fraction": 0.398}, "binding": {"pIC50": 6.28, "LE": 0.261, "potency_term": 0.427, "efficiency_cap": 0.869}, "selectivity": {"fold": 3.7, "selectivity_term": 0.282, "target_engagement": 0.427}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.538, "caco2-wang": 0.05, "hia-hou": 0.68, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.368, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.26}}, "run": {"gpu": "0", "pAct_q10": 5.3155399092281455, "aff_pf": -0.27962905168533325, "aff_hs": 0.2844136307636897, "repeats_pf": {"runs": 3, "values": [-0.2114, -0.2688, -0.3587], "mean": -0.2796, "spread": 0.1473}, "repeats_hs": {"runs": 3, "values": [0.2468, 0.2197, 0.3867], "mean": 0.2844, "spread": 0.1671}, "at": 1789607051}, "tier": 1, "alerts": [], "total_sd": 0.468, "total_ci95": [26.647, 28.41], "relegate_reason": [], "submitted_at": 1789606685, "scored_at": 1789607051, "rank": 4267}, {"candidate_id": "ODC-1EF7A7", "res_at": 1786811024, "skeleton": "DYGIGISWFMPHJR", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)cc1F", "total": 27.47, "axes": {"activity": 14.95, "binding": 3.65, "selectivity": 0.0, "admet": 3.6, "novelty": 3.36, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.497, "fraction": 0.498}, "binding": {"pIC50": 5.55, "LE": 0.304, "potency_term": 0.182, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.182}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.511, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.4967697027218705, "aff_pf": 0.45275192459424335, "aff_hs": 0.1795515368382136, "repeats_pf": {"runs": 3, "values": [0.4698, 0.4708, 0.4177], "mean": 0.4528, "spread": 0.0531}, "repeats_hs": {"runs": 3, "values": [0.1735, 0.1157, 0.2494], "mean": 0.1796, "spread": 0.1337}, "at": 1786811024}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789466, "scored_at": 1786811024, "alerts": [], "rank": 4268}, {"candidate_id": "ODC-6A767A", "res_at": 1787123833, "skeleton": "OSPRHIARTNZPTC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········23)C1", "total": 27.469, "axes": {"activity": 14.95, "binding": 4.26, "selectivity": 0.0, "admet": 3.15, "novelty": 3.0, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.497, "fraction": 0.498}, "binding": {"pIC50": 5.8, "LE": 0.241, "potency_term": 0.266, "efficiency_cap": 0.802}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.326, "cyp2c9-veith": 0.14, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.763}}, "novelty": {"max_tanimoto": 0.398, "novelty": 0.602}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.4969504297513705, "aff_pf": 0.20297026634216309, "aff_hs": -0.036633928616841636, "repeats_pf": {"runs": 3, "values": [-0.0649, 0.479, 0.1949], "mean": 0.203, "spread": 0.544}, "repeats_hs": {"runs": 3, "values": [-0.0991, -0.0083, -0.0025], "mean": -0.0366, "spread": 0.0966}, "at": 1787123833}, "tier": 1, "relegate_reason": [], "submitted_at": 1787107698, "scored_at": 1787123833, "alerts": [], "rank": 4269}, {"candidate_id": "ODC-474DC4", "res_at": 1789299128, "skeleton": "RQYHUDAALPEENK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 27.446, "axes": {"activity": 16.81, "binding": 1.2, "selectivity": 0.0, "admet": 3.46, "novelty": 3.91, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.609, "fraction": 0.56}, "binding": {"pIC50": 4.87, "LE": 0.247, "potency_term": 0.073, "efficiency_cap": 0.824}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.439, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.605, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 5.60879566159698, "aff_pf": 1.1285038391749065, "aff_hs": 0.19181882590055466, "repeats_pf": {"runs": 3, "values": [0.9281, 1.3543, 1.1031], "mean": 1.1285, "spread": 0.4262}, "repeats_hs": {"runs": 3, "values": [0.0433, 0.3564, 0.1757], "mean": 0.1918, "spread": 0.3131}, "at": 1789299128}, "tier": 1, "alerts": [], "total_sd": 0.421, "total_ci95": [26.327, 27.749], "relegate_reason": [], "submitted_at": 1789297021, "scored_at": 1789299128, "rank": 4270}, {"candidate_id": "ODC-9F2FC3", "res_at": 1787496524, "skeleton": "VKYKQLHNOXXVKU", "hf_user": "takutoyo", "display_name": "PfD15-24", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 27.44, "axes": {"activity": 15.91, "binding": 3.61, "selectivity": 0.0, "admet": 2.78, "novelty": 3.43, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.53}, "binding": {"pIC50": 5.76, "LE": 0.213, "potency_term": 0.254, "efficiency_cap": 0.711}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.254}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.215, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.59, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "3", "pAct_q10": 5.554688174182105, "aff_pf": 0.2390754520893097, "aff_hs": -0.37886853019396466, "repeats_pf": {"runs": 3, "values": [0.2462, 0.1599, 0.3112], "mean": 0.2391, "spread": 0.1513}, "repeats_hs": {"runs": 3, "values": [-0.3558, -0.2887, -0.4921], "mean": -0.3789, "spread": 0.2034}, "at": 1787496524}, "tier": 1, "relegate_reason": [], "submitted_at": 1787491751, "scored_at": 1787496524, "alerts": [], "rank": 4271}, {"candidate_id": "ODC-260EA0", "res_at": 1787058398, "skeleton": "YDCPPPYEAGXQRM", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 27.386, "axes": {"activity": 15.17, "binding": 2.36, "selectivity": 0.0, "admet": 4.35, "novelty": 3.86, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.51, "fraction": 0.506}, "binding": {"pIC50": 5.39, "LE": 0.273, "potency_term": 0.13, "efficiency_cap": 0.911}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.627, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.753, "herg": 0.05, "dili": 0.818}}, "novelty": {"max_tanimoto": 0.238, "novelty": 0.762}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "2", "pAct_q10": 5.5101877718782335, "aff_pf": 0.611430843671163, "aff_hs": 0.04220997542142868, "repeats_pf": {"runs": 3, "values": [0.5095, 0.6518, 0.673], "mean": 0.6114, "spread": 0.1635}, "repeats_hs": {"runs": 3, "values": [0.0517, 0.0231, 0.0519], "mean": 0.0422, "spread": 0.0288}, "at": 1787058398}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057800, "scored_at": 1787058398, "alerts": [], "rank": 4272}, {"candidate_id": "ODC-C153F9", "res_at": 1789899374, "skeleton": "AEEZWFOHXKIESL", "hf_user": "Bio-JS", "display_name": "0918-S1-div06", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 27.361, "axes": {"activity": 10.11, "binding": 7.94, "selectivity": 1.92, "admet": 3.52, "novelty": 2.52, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.207, "fraction": 0.337}, "binding": {"pIC50": 6.19, "LE": 0.326, "potency_term": 0.397, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.397}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.48, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.524, "cyp3a4-substrate-carbonmangels": 0.39, "ld50-zhu": 0.713, "herg": 0.461, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "0", "pAct_q10": 5.206729809809775, "aff_pf": -0.1910901814699173, "aff_hs": 0.2936788996060689, "repeats_pf": {"runs": 3, "values": [-0.1438, -0.1996, -0.2299], "mean": -0.1911, "spread": 0.086}, "repeats_hs": {"runs": 3, "values": [0.3424, 0.2091, 0.3295], "mean": 0.2937, "spread": 0.1334}, "at": 1789899374}, "tier": 1, "alerts": [], "total_sd": 0.411, "total_ci95": [26.495, 28.099], "relegate_reason": [], "submitted_at": 1789687022, "scored_at": 1789899374, "rank": 4273}, {"candidate_id": "ODC-54B8FD", "res_at": 1786859217, "skeleton": "ORQDJUJAELGQHO", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.346, "axes": {"activity": 10.48, "binding": 10.39, "selectivity": 0.0, "admet": 4.17, "novelty": 0.0, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 6.56, "LE": 0.346, "potency_term": 0.52, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.52}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.627, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.575}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.229058899319546, "aff_pf": -0.5590190291404724, "aff_hs": -0.6899031003316244, "repeats_pf": {"runs": 3, "values": [-0.5963, -0.5533, -0.5275], "mean": -0.559, "spread": 0.0688}, "repeats_hs": {"runs": 3, "values": [-0.684, -0.7032, -0.6824], "mean": -0.6899, "spread": 0.0208}, "at": 1786859217}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850330, "scored_at": 1786859217, "alerts": [], "rank": 4274}, {"candidate_id": "ODC-174577", "res_at": 1789335797, "skeleton": "SGALCKNZFDJAOC", "hf_user": "trblnfxn", "display_name": "SEED-06-PyrroleBenzyl", "model_name": "Hermes-Hybrid-NonTP-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········2)c1C", "total": 27.338, "axes": {"activity": 3.65, "binding": 11.13, "selectivity": 4.71, "admet": 3.49, "novelty": 1.57, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 4.819, "fraction": 0.122}, "binding": {"pIC50": 6.67, "LE": 0.415, "potency_term": 0.556, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.424, "target_engagement": 0.556}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.207, "herg": 0.05, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.717, "novelty": 0.283}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "0", "pAct_q10": 4.819073322293178, "aff_pf": -0.6691228350003561, "aff_hs": 0.17821424702803293, "repeats_pf": {"runs": 3, "values": [-0.7409, -0.6193, -0.6471], "mean": -0.6691, "spread": 0.1216}, "repeats_hs": {"runs": 3, "values": [0.3412, 0.143, 0.0504], "mean": 0.1782, "spread": 0.2908}, "at": 1789335797}, "tier": 1, "alerts": [], "total_sd": 0.659, "total_ci95": [26.194, 28.773], "relegate_reason": [], "submitted_at": 1789327646, "scored_at": 1789335797, "rank": 4275}, {"candidate_id": "ODC-46CE3D", "res_at": 1788540325, "skeleton": "WTXCZXKXPRDCSP", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 27.332, "axes": {"activity": 14.74, "binding": 4.92, "selectivity": 0.96, "admet": 2.2, "novelty": 2.68, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.484, "fraction": 0.491}, "binding": {"pIC50": 5.88, "LE": 0.252, "potency_term": 0.293, "efficiency_cap": 0.839}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.293}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.391, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.68, "ld50-zhu": 0.621, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 5.484218128239322, "aff_pf": 0.12060786286989848, "aff_hs": 0.4485019048055013, "repeats_pf": {"runs": 3, "values": [0.2147, -0.1397, 0.2868], "mean": 0.1206, "spread": 0.4265}, "repeats_hs": {"runs": 3, "values": [0.3452, 0.4347, 0.5656], "mean": 0.4485, "spread": 0.2204}, "at": 1788540325}, "tier": 1, "alerts": [], "total_sd": 1.247, "total_ci95": [25.642, 30.457], "relegate_reason": [], "submitted_at": 1788489616, "scored_at": 1788540325, "rank": 4276}, {"candidate_id": "ODC-AE1E3E", "res_at": 1788588336, "skeleton": "UXIZYWDAOFRVML", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 27.295, "axes": {"activity": 12.85, "binding": 7.86, "selectivity": 1.68, "admet": 2.55, "novelty": 1.04, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.371, "fraction": 0.428}, "binding": {"pIC50": 6.31, "LE": 0.27, "potency_term": 0.437, "efficiency_cap": 0.9}, "selectivity": {"fold": 2.4, "selectivity_term": 0.192, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.479, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.758, "novelty": 0.242}, "synthesis": {"sa_score": 3.86}}, "run": {"gpu": "0", "pAct_q10": 5.371180588372707, "aff_pf": -0.30995600422223407, "aff_hs": 0.07470258884131908, "repeats_pf": {"runs": 3, "values": [-0.324, -0.3498, -0.2561], "mean": -0.31, "spread": 0.0937}, "repeats_hs": {"runs": 3, "values": [0.0911, 0.0312, 0.1017], "mean": 0.0747, "spread": 0.0705}, "at": 1788588336}, "tier": 1, "alerts": [], "total_sd": 0.275, "total_ci95": [26.711, 27.816], "relegate_reason": [], "submitted_at": 1788570984, "scored_at": 1788588336, "rank": 4277}, {"candidate_id": "ODC-2B8F1E", "res_at": 1787918108, "skeleton": "DNAMDGUBNDTNMN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 27.279, "axes": {"activity": 16.17, "binding": 1.35, "selectivity": 0.0, "admet": 3.82, "novelty": 3.57, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.57, "fraction": 0.539}, "binding": {"pIC50": 4.98, "LE": 0.213, "potency_term": 0.095, "efficiency_cap": 0.711}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 0.981, "pgp-broccatelli": 0.404, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.565, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.570420255214707, "aff_pf": 1.0195019841194153, "aff_hs": 0.5615422030289968, "repeats_pf": {"runs": 3, "values": [0.806, 0.9901, 1.2624], "mean": 1.0195, "spread": 0.4564}, "repeats_hs": {"runs": 3, "values": [0.6657, 0.4186, 0.6003], "mean": 0.5615, "spread": 0.247}, "at": 1787918108}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898961, "scored_at": 1787918108, "alerts": [], "rank": 4278}, {"candidate_id": "ODC-0E4ADD", "res_at": 1787377859, "skeleton": "XPJUXQZRTDDYCV", "hf_user": "1Dmeds", "display_name": "ODC26-G17", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 27.26, "axes": {"activity": 16.85, "binding": 0.79, "selectivity": 0.0, "admet": 3.09, "novelty": 3.9, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.611, "fraction": 0.562}, "binding": {"pIC50": 4.77, "LE": 0.211, "potency_term": 0.056, "efficiency_cap": 0.703}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.761, "cyp3a4-substrate-carbonmangels": 0.428, "ld50-zhu": 0.765, "herg": 0.05, "dili": 0.562}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.611080651718121, "aff_pf": 1.2293045123418171, "aff_hs": 1.6441134611765544, "repeats_pf": {"runs": 3, "values": [1.2539, 1.2086, 1.2255], "mean": 1.2293, "spread": 0.0453}, "repeats_hs": {"runs": 3, "values": [1.6562, 1.5855, 1.6907], "mean": 1.6441, "spread": 0.1052}, "at": 1787377859}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372758, "scored_at": 1787377859, "alerts": [], "rank": 4279}, {"candidate_id": "ODC-3CAD59", "res_at": 1786875245, "skeleton": "NYBWMJJLHFGZJE", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNc1cc(··········)ccn1", "total": 27.255, "axes": {"activity": 14.66, "binding": 4.23, "selectivity": 0.57, "admet": 2.95, "novelty": 3.32, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 5.68, "LE": 0.278, "potency_term": 0.228, "efficiency_cap": 0.927}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.228}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.125, "cyp2c9-veith": 0.656, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.066, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "2", "pAct_q10": 5.479697425975768, "aff_pf": 0.31589654088020325, "aff_hs": 0.563767542441686, "repeats_pf": {"runs": 3, "values": [0.3124, 0.2732, 0.362], "mean": 0.3159, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [0.3891, 0.7757, 0.5265], "mean": 0.5638, "spread": 0.3866}, "at": 1786875245}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866999, "scored_at": 1786875245, "alerts": [], "rank": 4280}, {"candidate_id": "ODC-9FD8C4", "res_at": 1789436074, "skeleton": "SZGDTXXBUJKNKU", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 27.249, "axes": {"activity": 12.77, "binding": 7.32, "selectivity": 0.21, "admet": 3.29, "novelty": 2.52, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.426}, "binding": {"pIC50": 6.2, "LE": 0.274, "potency_term": 0.401, "efficiency_cap": 0.914}, "selectivity": {"fold": 1.1, "selectivity_term": 0.026, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.515, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.824, "cyp2c9-veith": 0.53, "cyp3a4-substrate-carbonmangels": 0.927, "ld50-zhu": 0.838, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 4.12}}, "run": {"gpu": "0", "pAct_q10": 5.366200527898774, "aff_pf": -0.20225676894187927, "aff_hs": -0.15068969130516052, "repeats_pf": {"runs": 3, "values": [-0.2303, -0.1782, -0.1983], "mean": -0.2023, "spread": 0.052}, "repeats_hs": {"runs": 3, "values": [-0.0809, -0.0972, -0.274], "mean": -0.1507, "spread": 0.1932}, "at": 1789436074}, "tier": 1, "alerts": [], "total_sd": 0.229, "total_ci95": [26.916, 27.815], "relegate_reason": [], "submitted_at": 1789435042, "scored_at": 1789436074, "rank": 4281}, {"candidate_id": "ODC-9F6890", "res_at": 1787051808, "skeleton": "SSOOMYKPYVPFJL", "hf_user": "takutoyo", "display_name": "PfD6-B5", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc2··········)n2n1", "total": 27.248, "axes": {"activity": 3.4, "binding": 10.64, "selectivity": 3.84, "admet": 3.54, "novelty": 3.62, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 4.804, "fraction": 0.113}, "binding": {"pIC50": 6.6, "LE": 0.411, "potency_term": 0.532, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.361, "target_engagement": 0.532}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.798, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.135, "ld50-zhu": 0.599, "herg": 0.702, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 4.803987626931577, "aff_pf": -0.5955815116564432, "aff_hs": 0.12676086028416952, "repeats_pf": {"runs": 3, "values": [-0.6091, -0.6597, -0.518], "mean": -0.5956, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [0.1415, 0.0726, 0.1662], "mean": 0.1268, "spread": 0.0936}, "at": 1787051808}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047091, "scored_at": 1787051808, "alerts": [], "rank": 4282}, {"candidate_id": "ODC-BFECD9", "res_at": 1787049786, "skeleton": "IBVGJTNRLBYAIU", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 27.246, "axes": {"activity": 18.15, "binding": 0.76, "selectivity": 0.0, "admet": 2.01, "novelty": 3.75, "synthesis": 2.58}, "detail": {"activity": {"pAct_q10": 5.689, "fraction": 0.605}, "binding": {"pIC50": 4.78, "LE": 0.198, "potency_term": 0.057, "efficiency_cap": 0.661}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.222, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.737, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.688871930838517, "aff_pf": 1.2238016923268635, "aff_hs": 0.022174117465813954, "repeats_pf": {"runs": 3, "values": [1.2293, 1.257, 1.1851], "mean": 1.2238, "spread": 0.0719}, "repeats_hs": {"runs": 3, "values": [0.0618, -0.1237, 0.1284], "mean": 0.0222, "spread": 0.2521}, "at": 1787049786}, "tier": 1, "relegate_reason": [], "submitted_at": 1787045014, "scored_at": 1787049786, "alerts": [], "rank": 4283}, {"candidate_id": "ODC-F09CBA", "res_at": 1789035941, "skeleton": "ZCDVZVRZHJWPCU", "hf_user": "trblnfxn", "display_name": "NC-FACT-02_Cl_H", "model_name": "Hermes-Factorial-v3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 27.224, "axes": {"activity": 7.4, "binding": 8.76, "selectivity": 3.8, "admet": 3.91, "novelty": 1.28, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.044, "fraction": 0.247}, "binding": {"pIC50": 6.31, "LE": 0.393, "potency_term": 0.438, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.438}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.667, "cyp3a4-substrate-carbonmangels": 0.556, "ld50-zhu": 0.551, "herg": 0.868, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.708, "novelty": 0.292}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "0", "pAct_q10": 5.044241655372322, "aff_pf": -0.3141697347164154, "aff_hs": 0.5542602439721426, "repeats_pf": {"runs": 3, "values": [-0.3217, -0.4438, -0.1771], "mean": -0.3142, "spread": 0.2667}, "repeats_hs": {"runs": 3, "values": [0.5437, 0.4716, 0.6475], "mean": 0.5543, "spread": 0.1759}, "at": 1789035941}, "tier": 1, "alerts": [], "total_sd": 1.191, "total_ci95": [24.849, 29.803], "relegate_reason": [], "submitted_at": 1789035163, "scored_at": 1789035941, "rank": 4284}, {"candidate_id": "ODC-CA302A", "res_at": 1787372882, "skeleton": "YPPAMMUHGSMMPG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)C··········2)CC1", "total": 27.206, "axes": {"activity": 15.24, "binding": 2.81, "selectivity": 0.12, "admet": 3.86, "novelty": 3.73, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.514, "fraction": 0.508}, "binding": {"pIC50": 5.47, "LE": 0.268, "potency_term": 0.157, "efficiency_cap": 0.892}, "selectivity": {"fold": 1.2, "selectivity_term": 0.037, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.467, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.359, "cyp2c9-veith": 0.839, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.57, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "3", "pAct_q10": 5.514282526847677, "aff_pf": 0.5278569956620535, "aff_hs": 0.6018121043841044, "repeats_pf": {"runs": 3, "values": [0.4236, 0.5695, 0.5905], "mean": 0.5279, "spread": 0.1669}, "repeats_hs": {"runs": 3, "values": [0.6468, 0.6045, 0.5542], "mean": 0.6018, "spread": 0.0926}, "at": 1787372882}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365166, "scored_at": 1787372882, "alerts": [], "rank": 4285}, {"candidate_id": "ODC-992605", "res_at": 1787899696, "skeleton": "NEVOIEHZOMSICQ", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········(C)n1", "total": 27.197, "axes": {"activity": 10.18, "binding": 8.89, "selectivity": 0.0, "admet": 3.16, "novelty": 3.24, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.211, "fraction": 0.339}, "binding": {"pIC50": 6.59, "LE": 0.251, "potency_term": 0.531, "efficiency_cap": 0.836}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.531}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.427, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.65, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.636, "herg": 0.779, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.210695113311513, "aff_pf": -0.5934951504071554, "aff_hs": -0.6590409676233927, "repeats_pf": {"runs": 3, "values": [-0.4744, -0.579, -0.7271], "mean": -0.5935, "spread": 0.2528}, "repeats_hs": {"runs": 3, "values": [-0.612, -0.6057, -0.7595], "mean": -0.659, "spread": 0.1538}, "at": 1787899696}, "tier": 1, "relegate_reason": [], "submitted_at": 1787876669, "scored_at": 1787899696, "alerts": [], "rank": 4286}, {"candidate_id": "ODC-BB1DCD", "res_at": 1787969305, "skeleton": "ZGJUTXUSHBHIDC", "hf_user": "Bio-JS", "display_name": "B x 팔3 벤질-N (Ar-CH2-N)", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········2)cc1", "total": 27.195, "axes": {"activity": 15.47, "binding": 3.37, "selectivity": 0.2, "admet": 2.56, "novelty": 3.54, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.528, "fraction": 0.516}, "binding": {"pIC50": 5.73, "LE": 0.207, "potency_term": 0.245, "efficiency_cap": 0.689}, "selectivity": {"fold": 1.2, "selectivity_term": 0.042, "target_engagement": 0.245}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.568, "caco2-wang": 0.352, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.08}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 5.528038269626774, "aff_pf": 0.26558245221773785, "aff_hs": 0.3488183319568634, "repeats_pf": {"runs": 3, "values": [0.5002, 0.1759, 0.1206], "mean": 0.2656, "spread": 0.3796}, "repeats_hs": {"runs": 3, "values": [0.379, 0.4637, 0.2038], "mean": 0.3488, "spread": 0.2599}, "at": 1787969305}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967307, "scored_at": 1787969305, "alerts": [], "rank": 4287}, {"candidate_id": "ODC-335C66", "res_at": 1789957880, "skeleton": "ACJYDEJLVGLBTO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 27.194, "axes": {"activity": 16.2, "binding": 1.32, "selectivity": 0.0, "admet": 3.82, "novelty": 3.68, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.572, "fraction": 0.54}, "binding": {"pIC50": 5.3, "LE": 0.202, "potency_term": 0.098, "efficiency_cap": 0.672}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.098}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 0.602, "pgp-broccatelli": 0.171, "cyp2c9-veith": 0.692, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.772, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.571933150305981, "aff_pf": 0.7049316565195719, "aff_hs": 0.5670201579729716, "repeats_pf": {"runs": 3, "values": [0.5948, 0.773, 0.747], "mean": 0.7049, "spread": 0.1782}, "repeats_hs": {"runs": 3, "values": [0.685, 0.411, 0.6051], "mean": 0.567, "spread": 0.274}, "at": 1789957880}, "tier": 1, "alerts": [], "total_sd": 0.199, "total_ci95": [26.876, 27.725], "relegate_reason": [], "submitted_at": 1789863706, "scored_at": 1789957880, "rank": 4288}, {"candidate_id": "ODC-9F4F6E", "res_at": 1788779763, "skeleton": "VNLHPNBFINYOIL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-CHAMP01]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 27.188, "axes": {"activity": 14.33, "binding": 5.51, "selectivity": 0.0, "admet": 2.0, "novelty": 3.07, "synthesis": 2.28}, "detail": {"activity": {"pAct_q10": 5.46, "fraction": 0.478}, "binding": {"pIC50": 6.05, "LE": 0.237, "potency_term": 0.349, "efficiency_cap": 0.789}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.349}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.349}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.4595800671691785, "aff_pf": -0.047019521395365395, "aff_hs": -0.07943345606327057, "repeats_pf": {"runs": 3, "values": [-0.0154, -0.0931, -0.0325], "mean": -0.047, "spread": 0.0776}, "repeats_hs": {"runs": 3, "values": [-0.0966, 0.1476, -0.2893], "mean": -0.0794, "spread": 0.4369}, "at": 1788779763}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.211, "total_ci95": [26.994, 27.846], "relegate_reason": [], "submitted_at": 1788670834, "scored_at": 1788779763, "rank": 4289}, {"candidate_id": "ODC-F79012", "res_at": 1786795530, "skeleton": "FUOYYXHSUMBGNE", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "Deepseek v4 flash", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.178, "axes": {"activity": 11.18, "binding": 7.28, "selectivity": 4.22, "admet": 2.64, "novelty": 0.0, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 6.09, "LE": 0.417, "potency_term": 0.364, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.4, "selectivity_term": 0.58, "target_engagement": 0.364}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.816, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.284, "herg": 0.479, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 5.270898617620276, "aff_pf": -0.09164217362801234, "aff_hs": 1.0673588514328003, "repeats_pf": {"runs": 3, "values": [-0.0693, -0.0785, -0.1272], "mean": -0.0916, "spread": 0.0579}, "repeats_hs": {"runs": 3, "values": [1.0973, 1.0187, 1.0861], "mean": 1.0674, "spread": 0.0787}, "at": 1786795530}, "tier": 1, "relegate_reason": [], "submitted_at": 1786784429, "scored_at": 1786795530, "alerts": [], "rank": 4290}, {"candidate_id": "ODC-8379AE", "res_at": 1787899751, "skeleton": "LFLLEGZQQPQCAZ", "hf_user": "Bio-JS", "display_name": "팔제거: 코어2-Cl + 에타이닐싸이에탄", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C#CC1(c··········)CSC1", "total": 27.172, "axes": {"activity": 4.65, "binding": 12.15, "selectivity": 0.73, "admet": 2.99, "novelty": 4.34, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 4.879, "fraction": 0.155}, "binding": {"pIC50": 6.82, "LE": 0.389, "potency_term": 0.607, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.607}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.167, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.272, "herg": 0.05, "dili": 0.461}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 4.878795365108557, "aff_pf": -0.8223263025283813, "aff_hs": -0.7019518812497457, "repeats_pf": {"runs": 3, "values": [-0.9086, -0.6636, -0.8947], "mean": -0.8223, "spread": 0.2449}, "repeats_hs": {"runs": 3, "values": [-0.7067, -0.6633, -0.7359], "mean": -0.702, "spread": 0.0726}, "at": 1787899751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889370, "scored_at": 1787899751, "alerts": [], "rank": 4291}, {"candidate_id": "ODC-9C1919", "res_at": 1787320792, "skeleton": "ZWILLGHJOSQLCJ", "hf_user": "araai", "display_name": "araai", "model_name": "ARA", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········H]c12", "total": 27.155, "axes": {"activity": 14.16, "binding": 5.8, "selectivity": 0.0, "admet": 1.75, "novelty": 3.11, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.472}, "binding": {"pIC50": 6.17, "LE": 0.223, "potency_term": 0.391, "efficiency_cap": 0.742}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.391}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 0.785, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.197, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.151}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.44931795421747, "aff_pf": -0.17341498037179312, "aff_hs": -1.236533482869466, "repeats_pf": {"runs": 3, "values": [-0.5164, 0.1574, -0.1612], "mean": -0.1734, "spread": 0.6737}, "repeats_hs": {"runs": 3, "values": [-1.3214, -1.2106, -1.1776], "mean": -1.2365, "spread": 0.1437}, "at": 1787320792}, "tier": 1, "relegate_reason": [], "submitted_at": 1787317276, "scored_at": 1787320792, "alerts": [], "rank": 4292}, {"candidate_id": "ODC-B653B7", "res_at": 1790001190, "skeleton": "NDSFYJYYKWHTHY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 27.15, "axes": {"activity": 9.91, "binding": 9.34, "selectivity": 0.17, "admet": 2.56, "novelty": 3.4, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 6.55, "LE": 0.272, "potency_term": 0.516, "efficiency_cap": 0.906}, "selectivity": {"fold": 1.1, "selectivity_term": 0.017, "target_engagement": 0.516}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.228, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.306, "ld50-zhu": 0.798, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.194630901103617, "aff_pf": -0.5467205246289571, "aff_hs": -0.5130353271961212, "repeats_pf": {"runs": 3, "values": [-0.5337, -0.5008, -0.6057], "mean": -0.5467, "spread": 0.1048}, "repeats_hs": {"runs": 3, "values": [-0.3309, -0.3003, -0.9079], "mean": -0.513, "spread": 0.6076}, "at": 1790001190}, "tier": 1, "alerts": [], "total_sd": 0.695, "total_ci95": [26.354, 28.939], "relegate_reason": [], "submitted_at": 1789993136, "scored_at": 1790001190, "rank": 4293}, {"candidate_id": "ODC-4400F7", "res_at": 1787134528, "skeleton": "XFLPNNPHILEZGG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)n1··········2c1=O", "total": 27.131, "axes": {"activity": 3.77, "binding": 12.16, "selectivity": 2.68, "admet": 4.05, "novelty": 2.68, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 4.826, "fraction": 0.126}, "binding": {"pIC50": 6.82, "LE": 0.302, "potency_term": 0.608, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.221, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 1.0, "herg": 0.116, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "3", "pAct_q10": 4.82639341569845, "aff_pf": -0.8242126901944479, "aff_hs": -0.38316701849301654, "repeats_pf": {"runs": 3, "values": [-0.8448, -0.7775, -0.8503], "mean": -0.8242, "spread": 0.0728}, "repeats_hs": {"runs": 3, "values": [-0.3052, -0.406, -0.4383], "mean": -0.3832, "spread": 0.1331}, "at": 1787134528}, "tier": 1, "relegate_reason": [], "submitted_at": 1787128527, "scored_at": 1787134528, "alerts": [], "rank": 4294}, {"candidate_id": "ODC-8459D2", "res_at": 1787268178, "skeleton": "OAESPVTWXVDYFT", "hf_user": "Ku-ku", "display_name": "W9_nBu_indolyl", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 27.13, "axes": {"activity": 16.38, "binding": 1.67, "selectivity": 0.0, "admet": 3.12, "novelty": 3.24, "synthesis": 2.73}, "detail": {"activity": {"pAct_q10": 5.583, "fraction": 0.546}, "binding": {"pIC50": 5.35, "LE": 0.215, "potency_term": 0.116, "efficiency_cap": 0.718}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.116}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.562, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.466, "herg": 0.05, "dili": 0.753}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 5.582957316326693, "aff_pf": 0.6522864699363708, "aff_hs": 0.4007626672585805, "repeats_pf": {"runs": 3, "values": [0.5468, 0.7701, 0.64], "mean": 0.6523, "spread": 0.2233}, "repeats_hs": {"runs": 3, "values": [0.3369, 0.0363, 0.8291], "mean": 0.4008, "spread": 0.7927}, "at": 1787268178}, "tier": 1, "relegate_reason": [], "submitted_at": 1787267266, "scored_at": 1787268178, "alerts": [], "rank": 4295}, {"candidate_id": "ODC-B22694", "res_at": 1788983156, "skeleton": "BJFIBZRAOXBPGO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(I··········cc1Cl", "total": 27.123, "axes": {"activity": 12.66, "binding": 4.4, "selectivity": 1.89, "admet": 3.38, "novelty": 2.89, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.36, "fraction": 0.422}, "binding": {"pIC50": 5.66, "LE": 0.337, "potency_term": 0.22, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.565, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.701, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.439, "herg": 0.05, "dili": 0.92}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "0", "pAct_q10": 5.359506432828496, "aff_pf": 0.3397457003593445, "aff_hs": 1.2000470161437988, "repeats_pf": {"runs": 3, "values": [0.3053, 0.3156, 0.3984], "mean": 0.3397, "spread": 0.0931}, "repeats_hs": {"runs": 3, "values": [1.2019, 1.221, 1.1773], "mean": 1.2, "spread": 0.0437}, "at": 1788983156}, "tier": 1, "alerts": [], "total_sd": 0.275, "total_ci95": [26.462, 27.531], "relegate_reason": [], "submitted_at": 1788978246, "scored_at": 1788983156, "rank": 4296}, {"candidate_id": "ODC-7AF018", "res_at": 1788095349, "skeleton": "FFLGRKBTGSCMDM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········nc2n1", "total": 27.116, "axes": {"activity": 14.39, "binding": 4.84, "selectivity": 1.59, "admet": 3.35, "novelty": 1.22, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.463, "fraction": 0.48}, "binding": {"pIC50": 5.8, "LE": 0.274, "potency_term": 0.265, "efficiency_cap": 0.913}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.993, "cyp2c9-veith": 0.273, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.607, "herg": 0.057, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.745, "novelty": 0.255}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.463135476553556, "aff_pf": 0.20442700882752737, "aff_hs": 0.8044406572977701, "repeats_pf": {"runs": 3, "values": [0.2401, 0.1531, 0.2201], "mean": 0.2044, "spread": 0.087}, "repeats_hs": {"runs": 3, "values": [0.7181, 0.8458, 0.8495], "mean": 0.8044, "spread": 0.1314}, "at": 1788095349}, "tier": 1, "alerts": [], "total_sd": 0.265, "total_ci95": [26.672, 27.718], "relegate_reason": [], "submitted_at": 1788087062, "scored_at": 1788095349, "rank": 4297}, {"candidate_id": "ODC-6987CD", "res_at": 1789912991, "skeleton": "CZZBJDVBSUVNNE", "hf_user": "Bio-JS", "display_name": "0918-S1-div29", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 27.114, "axes": {"activity": 15.59, "binding": 1.68, "selectivity": 0.0, "admet": 4.58, "novelty": 3.06, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 4.98, "LE": 0.263, "potency_term": 0.096, "efficiency_cap": 0.875}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.561, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.945, "cyp3a4-substrate-carbonmangels": 0.653, "ld50-zhu": 0.511, "herg": 0.31, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.535360522180075, "aff_pf": 1.017029861609141, "aff_hs": 1.2185108264287312, "repeats_pf": {"runs": 3, "values": [0.7906, 1.0439, 1.2166], "mean": 1.017, "spread": 0.426}, "repeats_hs": {"runs": 3, "values": [1.3206, 1.2028, 1.1321], "mean": 1.2185, "spread": 0.1885}, "at": 1789912991}, "tier": 1, "alerts": [], "total_sd": 0.438, "total_ci95": [25.711, 27.114], "relegate_reason": [], "submitted_at": 1789687088, "scored_at": 1789912991, "rank": 4298}, {"candidate_id": "ODC-30BAE2", "res_at": 1789882024, "skeleton": "XWNRPDHKLOWNQL", "hf_user": "Bio-JS", "display_name": "0917-S1-div25", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 27.107, "axes": {"activity": 14.0, "binding": 3.92, "selectivity": 1.01, "admet": 3.16, "novelty": 2.98, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.44, "fraction": 0.467}, "binding": {"pIC50": 5.59, "LE": 0.306, "potency_term": 0.196, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.196, "ld50-zhu": 0.354, "herg": 0.181, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.440290160023524, "aff_pf": 0.41168761253356934, "aff_hs": 0.9279841184616089, "repeats_pf": {"runs": 3, "values": [0.4746, 0.5292, 0.2313], "mean": 0.4117, "spread": 0.2978}, "repeats_hs": {"runs": 3, "values": [0.8292, 1.0649, 0.8898], "mean": 0.928, "spread": 0.2357}, "at": 1789882024}, "tier": 1, "alerts": [], "total_sd": 0.839, "total_ci95": [25.935, 29.134], "relegate_reason": [], "submitted_at": 1789628652, "scored_at": 1789882024, "rank": 4299}, {"candidate_id": "ODC-4132B3", "res_at": 1786963954, "skeleton": "ZVTYQYCYDIWSFA", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C1CC1", "total": 27.094, "axes": {"activity": 11.34, "binding": 7.69, "selectivity": 0.74, "admet": 3.16, "novelty": 2.58, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.281, "fraction": 0.378}, "binding": {"pIC50": 6.15, "LE": 0.312, "potency_term": 0.384, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.905, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.243, "ld50-zhu": 0.894, "herg": 0.215, "dili": 0.718}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.280505408887255, "aff_pf": -0.15348884960015616, "aff_hs": 0.03993833561738332, "repeats_pf": {"runs": 3, "values": [-0.098, -0.2397, -0.1228], "mean": -0.1535, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [0.0098, 0.0041, 0.106], "mean": 0.0399, "spread": 0.1019}, "at": 1786963954}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963407, "scored_at": 1786963954, "alerts": [], "rank": 4300}, {"candidate_id": "ODC-2C741F", "res_at": 1788599501, "skeleton": "YICRDBSXBIDBGU", "hf_user": "ddus-s", "display_name": "ddus", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 27.081, "axes": {"activity": 9.54, "binding": 9.07, "selectivity": 2.88, "admet": 3.04, "novelty": 1.13, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 6.43, "LE": 0.284, "potency_term": 0.478, "efficiency_cap": 0.948}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.968, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.75, "novelty": 0.25}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.172204301918558, "aff_pf": -0.4345528706908226, "aff_hs": 0.16854609549045563, "repeats_pf": {"runs": 3, "values": [-0.5846, -0.0853, -0.6338], "mean": -0.4346, "spread": 0.5485}, "repeats_hs": {"runs": 3, "values": [0.2807, 0.113, 0.1119], "mean": 0.1685, "spread": 0.1688}, "at": 1788599501}, "tier": 1, "alerts": [], "total_sd": 2.683, "total_ci95": [23.482, 31.118], "relegate_reason": [], "submitted_at": 1788570919, "scored_at": 1788599501, "rank": 4301}, {"candidate_id": "ODC-6EAA4B", "res_at": 1789999803, "skeleton": "ZKNQXXLVAGKMHY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cl··········)C)c1", "total": 27.079, "axes": {"activity": 17.29, "binding": 0.38, "selectivity": 0.0, "admet": 2.87, "novelty": 4.1, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.637, "fraction": 0.576}, "binding": {"pIC50": 4.52, "LE": 0.188, "potency_term": 0.03, "efficiency_cap": 0.626}, "selectivity": {"fold": 1.1, "selectivity_term": 0.026, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.827, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.637141256025901, "aff_pf": 1.4762098391850789, "aff_hs": 1.5291840235392253, "repeats_pf": {"runs": 3, "values": [1.4532, 1.4553, 1.5201], "mean": 1.4762, "spread": 0.0668}, "repeats_hs": {"runs": 3, "values": [1.5293, 1.6213, 1.4369], "mean": 1.5292, "spread": 0.1844}, "at": 1789999803}, "tier": 1, "alerts": [], "total_sd": 0.018, "total_ci95": [27.057, 27.104], "relegate_reason": [], "submitted_at": 1789993280, "scored_at": 1789999803, "rank": 4302}, {"candidate_id": "ODC-6BE9F5", "res_at": 1789997810, "skeleton": "LONRYBRVXGEELX", "hf_user": "Bio-JS", "display_name": "0921-S1-26", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 27.067, "axes": {"activity": 11.91, "binding": 6.48, "selectivity": 1.72, "admet": 3.31, "novelty": 1.92, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.315, "fraction": 0.397}, "binding": {"pIC50": 5.97, "LE": 0.303, "potency_term": 0.324, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.941, "cyp3a4-substrate-carbonmangels": 0.497, "ld50-zhu": 0.474, "herg": 0.43, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.314531460179802, "aff_pf": 0.028653467074036598, "aff_hs": 0.5606180628140768, "repeats_pf": {"runs": 3, "values": [0.0734, -0.0073, 0.0199], "mean": 0.0287, "spread": 0.0808}, "repeats_hs": {"runs": 3, "values": [0.4963, 0.6195, 0.566], "mean": 0.5606, "spread": 0.1231}, "at": 1789997810}, "tier": 1, "alerts": [], "total_sd": 0.256, "total_ci95": [26.552, 27.569], "relegate_reason": [], "submitted_at": 1789990571, "scored_at": 1789997810, "rank": 4303}, {"candidate_id": "ODC-49F5E2", "res_at": 1786954440, "skeleton": "GSHKOBXVCDXOOP", "hf_user": "amadeus0710", "display_name": "frederic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 27.03, "axes": {"activity": 15.61, "binding": 1.71, "selectivity": 0.66, "admet": 3.68, "novelty": 3.01, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.537, "fraction": 0.52}, "binding": {"pIC50": 5.3, "LE": 0.259, "potency_term": 0.099, "efficiency_cap": 0.864}, "selectivity": {"fold": 4.6, "selectivity_term": 0.332, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 0.597, "ld50-zhu": 0.508, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.5365273902721315, "aff_pf": 0.7027517557144165, "aff_hs": 1.367303490638733, "repeats_pf": {"runs": 3, "values": [0.8033, 0.5437, 0.7612], "mean": 0.7028, "spread": 0.2595}, "repeats_hs": {"runs": 3, "values": [1.4009, 1.3584, 1.3426], "mean": 1.3673, "spread": 0.0583}, "at": 1786954440}, "tier": 1, "relegate_reason": [], "submitted_at": 1786954204, "scored_at": 1786954440, "alerts": [], "rank": 4304}, {"candidate_id": "ODC-45A06A", "res_at": 1787341196, "skeleton": "PVMCDMQHKHGCPT", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nnc2cc(-c3ccc(-c4ccccc4)cc3)cnc2c1-c1ccc(C(C)(C)C#N)cc1", "smiles_masked": null, "total": 27.026, "axes": {"activity": 5.87, "binding": 10.02, "selectivity": 2.63, "admet": 2.38, "novelty": 3.65, "synthesis": 2.47}, "detail": {"activity": {"pAct_q10": 4.952, "fraction": 0.196}, "binding": {"pIC50": 6.68, "LE": 0.269, "potency_term": 0.559, "efficiency_cap": 0.897}, "selectivity": {"fold": 3.0, "selectivity_term": 0.235, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.475, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.584, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.577, "herg": 0.05, "dili": 0.852}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.952382728876362, "aff_pf": -0.6765859723091125, "aff_hs": -0.20604101568460464, "repeats_pf": {"runs": 3, "values": [-0.6339, -0.6028, -0.7931], "mean": -0.6766, "spread": 0.1902}, "repeats_hs": {"runs": 3, "values": [-0.0814, -0.204, -0.3328], "mean": -0.206, "spread": 0.2514}, "at": 1787341196}, "tier": 1, "relegate_reason": [], "submitted_at": 1787341010, "scored_at": 1787341196, "alerts": [], "rank": 4305}, {"candidate_id": "ODC-937ED0", "res_at": 1788800550, "skeleton": "BAJSEWMVFYTETP", "hf_user": "Bio-JS", "display_name": "0907-S1-26", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········)c2c1", "total": 27.019, "axes": {"activity": 16.65, "binding": 1.35, "selectivity": 0.0, "admet": 2.9, "novelty": 3.53, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.599, "fraction": 0.555}, "binding": {"pIC50": 5.26, "LE": 0.232, "potency_term": 0.087, "efficiency_cap": 0.775}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.087}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.164, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.431, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.599084606755434, "aff_pf": 0.7393503983815511, "aff_hs": 0.6161643266677856, "repeats_pf": {"runs": 3, "values": [0.4444, 0.9852, 0.7885], "mean": 0.7394, "spread": 0.5407}, "repeats_hs": {"runs": 3, "values": [0.6406, 0.5077, 0.7001], "mean": 0.6162, "spread": 0.1924}, "at": 1788800550}, "tier": 1, "alerts": [], "total_sd": 0.789, "total_ci95": [25.745, 29.022], "relegate_reason": [], "submitted_at": 1788707793, "scored_at": 1788800550, "rank": 4306}, {"candidate_id": "ODC-C05C23", "res_at": 1789611196, "skeleton": "ALFDPFNDOFPJDZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 27.015, "axes": {"activity": 14.69, "binding": 3.84, "selectivity": 0.76, "admet": 3.11, "novelty": 3.35, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.49}, "binding": {"pIC50": 5.75, "LE": 0.232, "potency_term": 0.249, "efficiency_cap": 0.772}, "selectivity": {"fold": 2.0, "selectivity_term": 0.152, "target_engagement": 0.249}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.354, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.524, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.17}}, "run": {"gpu": "0", "pAct_q10": 5.481207698398631, "aff_pf": 0.2543618083000183, "aff_hs": 0.5586897929509481, "repeats_pf": {"runs": 3, "values": [0.1855, 0.389, 0.1886], "mean": 0.2544, "spread": 0.2034}, "repeats_hs": {"runs": 3, "values": [0.5554, 0.5751, 0.5456], "mean": 0.5587, "spread": 0.0295}, "at": 1789611196}, "tier": 1, "alerts": [], "total_sd": 0.5, "total_ci95": [26.374, 27.693], "relegate_reason": [], "submitted_at": 1789609953, "scored_at": 1789611196, "rank": 4307}, {"candidate_id": "ODC-2AB322", "res_at": 1786841707, "skeleton": "FFRRZDLVLTWHSP", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.975, "axes": {"activity": 16.67, "binding": 2.64, "selectivity": 0.86, "admet": 2.12, "novelty": 2.05, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.6, "fraction": 0.556}, "binding": {"pIC50": 5.46, "LE": 0.258, "potency_term": 0.153, "efficiency_cap": 0.86}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.153}, "admet": {"geometric_mean": 0.254, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.476, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.079, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "1", "pAct_q10": 5.600190995489802, "aff_pf": 0.5399967233339945, "aff_hs": 1.0999647378921509, "repeats_pf": {"runs": 3, "values": [0.5675, 0.5697, 0.4828], "mean": 0.54, "spread": 0.0868}, "repeats_hs": {"runs": 3, "values": [1.0878, 1.0986, 1.1135], "mean": 1.1, "spread": 0.0257}, "at": 1786841707}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806754, "scored_at": 1786841707, "alerts": [], "rank": 4308}, {"candidate_id": "ODC-0CF795", "res_at": 1787563921, "skeleton": "RHUGRZKWQSIZDL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········F)CC2", "total": 26.967, "axes": {"activity": 12.35, "binding": 6.67, "selectivity": 0.0, "admet": 3.47, "novelty": 3.07, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.412}, "binding": {"pIC50": 6.02, "LE": 0.295, "potency_term": 0.34, "efficiency_cap": 0.982}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.976, "cyp2c9-veith": 0.947, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.858, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.34071797422215, "aff_pf": -0.019032098352909088, "aff_hs": -0.5157555341720581, "repeats_pf": {"runs": 3, "values": [-0.0265, 0.0871, -0.1176], "mean": -0.019, "spread": 0.2047}, "repeats_hs": {"runs": 3, "values": [-0.5189, -0.5194, -0.5089], "mean": -0.5158, "spread": 0.0105}, "at": 1787563921}, "tier": 1, "relegate_reason": [], "submitted_at": 1787556843, "scored_at": 1787563921, "alerts": [], "rank": 4309}, {"candidate_id": "ODC-C33DE1", "res_at": 1788142214, "skeleton": "OGXATSDRQOIJAE", "hf_user": "Bio-JS", "display_name": "K5 코어호핑 4-아릴아미노퀴나졸린", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········)c2c1", "total": 26.954, "axes": {"activity": 15.2, "binding": 2.79, "selectivity": 0.22, "admet": 2.79, "novelty": 3.42, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.512, "fraction": 0.507}, "binding": {"pIC50": 5.42, "LE": 0.309, "potency_term": 0.139, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.079, "target_engagement": 0.139}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.802, "ld50-zhu": 0.448, "herg": 0.384, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 5.5118983573457445, "aff_pf": 0.5822234352429708, "aff_hs": 0.7406583825747172, "repeats_pf": {"runs": 3, "values": [0.5665, 0.5522, 0.628], "mean": 0.5822, "spread": 0.0759}, "repeats_hs": {"runs": 3, "values": [0.7155, 0.7299, 0.7766], "mean": 0.7407, "spread": 0.0611}, "at": 1788142214}, "tier": 1, "alerts": [], "total_sd": 0.166, "total_ci95": [26.568, 27.215], "relegate_reason": [], "submitted_at": 1788139232, "scored_at": 1788142214, "rank": 4310}, {"candidate_id": "ODC-422699", "res_at": 1786900922, "skeleton": "AHBJOOKQWGIAQT", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.947, "axes": {"activity": 12.16, "binding": 7.92, "selectivity": 1.7, "admet": 2.1, "novelty": 1.19, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.405}, "binding": {"pIC50": 6.19, "LE": 0.314, "potency_term": 0.396, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.215, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.847, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.831, "herg": 0.05, "dili": 0.097}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.3298875405135, "aff_pf": -0.18855252861976624, "aff_hs": 0.2411274512608846, "repeats_pf": {"runs": 3, "values": [-0.1615, -0.2535, -0.1507], "mean": -0.1886, "spread": 0.1028}, "repeats_hs": {"runs": 3, "values": [0.3027, 0.2566, 0.164], "mean": 0.2411, "spread": 0.1387}, "at": 1786900922}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887644, "scored_at": 1786900922, "alerts": [], "rank": 4311}, {"candidate_id": "ODC-31941A", "res_at": 1789190300, "skeleton": "ASODHRMFFFNGCX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.921, "axes": {"activity": 11.26, "binding": 7.65, "selectivity": 2.39, "admet": 2.06, "novelty": 1.94, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.276, "fraction": 0.375}, "binding": {"pIC50": 6.15, "LE": 0.324, "potency_term": 0.383, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.383}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.541, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.2758183173045055, "aff_pf": -0.1481514573097229, "aff_hs": 0.4763590296109517, "repeats_pf": {"runs": 3, "values": [-0.1347, -0.2091, -0.1007], "mean": -0.1482, "spread": 0.1084}, "repeats_hs": {"runs": 3, "values": [0.3423, 0.4651, 0.6217], "mean": 0.4764, "spread": 0.2794}, "at": 1789190300}, "tier": 1, "alerts": [], "total_sd": 0.479, "total_ci95": [26.213, 28.131], "relegate_reason": [], "submitted_at": 1789174871, "scored_at": 1789190300, "rank": 4312}, {"candidate_id": "ODC-46394E", "res_at": 1787394237, "skeleton": "RHBYAGSGZYCTIP", "hf_user": "jlee277", "display_name": "Agent_KIM", "model_name": "GPT 5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc([··········)(F)F", "total": 26.918, "axes": {"activity": 12.51, "binding": 9.22, "selectivity": 0.23, "admet": 2.8, "novelty": 0.73, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.45, "LE": 0.285, "potency_term": 0.485, "efficiency_cap": 0.951}, "selectivity": {"fold": 1.1, "selectivity_term": 0.024, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.512, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.851, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.842, "novelty": 0.158}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "3", "pAct_q10": 5.350754264324166, "aff_pf": -0.4546360969543457, "aff_hs": -0.4062695999940236, "repeats_pf": {"runs": 3, "values": [-0.4186, -0.4604, -0.4849], "mean": -0.4546, "spread": 0.0664}, "repeats_hs": {"runs": 3, "values": [-0.4029, -0.4082, -0.4077], "mean": -0.4063, "spread": 0.0053}, "at": 1787394237}, "tier": 1, "relegate_reason": [], "submitted_at": 1787393928, "scored_at": 1787394237, "alerts": [], "rank": 4313}, {"candidate_id": "ODC-E508E5", "res_at": 1789565562, "skeleton": "NGKLDOBFZBQXFR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 26.9, "axes": {"activity": 11.41, "binding": 7.39, "selectivity": 1.98, "admet": 2.52, "novelty": 2.58, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.284, "fraction": 0.38}, "binding": {"pIC50": 6.24, "LE": 0.267, "potency_term": 0.415, "efficiency_cap": 0.891}, "selectivity": {"fold": 3.0, "selectivity_term": 0.239, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.592, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.986, "ld50-zhu": 0.869, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "0", "pAct_q10": 5.2844831146108655, "aff_pf": -0.2436981201171875, "aff_hs": 0.23353411257266998, "repeats_pf": {"runs": 3, "values": [-0.2383, -0.2249, -0.2679], "mean": -0.2437, "spread": 0.043}, "repeats_hs": {"runs": 3, "values": [0.2865, 0.2353, 0.1788], "mean": 0.2335, "spread": 0.1076}, "at": 1789565562}, "tier": 1, "alerts": [], "total_sd": 0.184, "total_ci95": [26.57, 27.249], "relegate_reason": [], "submitted_at": 1789563212, "scored_at": 1789565562, "rank": 4314}, {"candidate_id": "ODC-5D6DE1", "res_at": 1789435475, "skeleton": "LZMZRMVEVWGHSR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)(··········)n2n1", "total": 26.888, "axes": {"activity": 13.34, "binding": 5.62, "selectivity": 1.09, "admet": 2.86, "novelty": 2.76, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 5.96, "LE": 0.263, "potency_term": 0.32, "efficiency_cap": 0.878}, "selectivity": {"fold": 2.2, "selectivity_term": 0.17, "target_engagement": 0.32}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.426, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "0", "pAct_q10": 5.400689911342344, "aff_pf": 0.03976285022993883, "aff_hs": 0.37952866156895954, "repeats_pf": {"runs": 3, "values": [0.1727, -0.0249, -0.0285], "mean": 0.0398, "spread": 0.2012}, "repeats_hs": {"runs": 3, "values": [0.349, 0.4005, 0.389], "mean": 0.3795, "spread": 0.0515}, "at": 1789435475}, "tier": 1, "alerts": [], "total_sd": 0.596, "total_ci95": [25.485, 27.713], "relegate_reason": [], "submitted_at": 1789434955, "scored_at": 1789435475, "rank": 4315}, {"candidate_id": "ODC-8BD5BF", "res_at": 1787370394, "skeleton": "GOBWSAPXTWQPBL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 26.884, "axes": {"activity": 13.91, "binding": 4.22, "selectivity": 0.0, "admet": 3.78, "novelty": 3.37, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.434, "fraction": 0.464}, "binding": {"pIC50": 5.66, "LE": 0.287, "potency_term": 0.22, "efficiency_cap": 0.958}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 0.951, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.986, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.868, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.434360838570107, "aff_pf": 0.3385324279467265, "aff_hs": -0.0886145147184531, "repeats_pf": {"runs": 3, "values": [0.2962, 0.3039, 0.4155], "mean": 0.3385, "spread": 0.1193}, "repeats_hs": {"runs": 3, "values": [-0.0251, -0.065, -0.1758], "mean": -0.0886, "spread": 0.1506}, "at": 1787370394}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364917, "scored_at": 1787370394, "alerts": [], "rank": 4316}, {"candidate_id": "ODC-DD2AE1", "res_at": 1789938005, "skeleton": "NYJCRJVJDUBKGF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 26.877, "axes": {"activity": 9.91, "binding": 7.89, "selectivity": 3.36, "admet": 1.62, "novelty": 2.13, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 6.35, "LE": 0.264, "potency_term": 0.449, "efficiency_cap": 0.878}, "selectivity": {"fold": 5.6, "selectivity_term": 0.374, "target_engagement": 0.449}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.104}}, "novelty": {"max_tanimoto": 0.461, "novelty": 0.539}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "0", "pAct_q10": 5.194553712011296, "aff_pf": -0.34714769820372265, "aff_hs": 0.4013473888238271, "repeats_pf": {"runs": 3, "values": [-0.3674, -0.4797, -0.1944], "mean": -0.3471, "spread": 0.2853}, "repeats_hs": {"runs": 3, "values": [0.383, 0.3519, 0.4691], "mean": 0.4013, "spread": 0.1173}, "at": 1789938005}, "tier": 1, "alerts": [], "total_sd": 1.362, "total_ci95": [24.096, 29.32], "relegate_reason": [], "submitted_at": 1789778814, "scored_at": 1789938005, "rank": 4317}, {"candidate_id": "ODC-934B4B", "res_at": 1786817261, "skeleton": "SFSVHTFEHHAVQS", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)c2c1", "total": 26.866, "axes": {"activity": 17.02, "binding": 1.31, "selectivity": 0.0, "admet": 1.94, "novelty": 3.76, "synthesis": 2.84}, "detail": {"activity": {"pAct_q10": 5.621, "fraction": 0.567}, "binding": {"pIC50": 4.93, "LE": 0.233, "potency_term": 0.084, "efficiency_cap": 0.777}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.228, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.274, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "3", "pAct_q10": 5.621279021617755, "aff_pf": 1.068397323290507, "aff_hs": 1.4823048114776611, "repeats_pf": {"runs": 3, "values": [1.0912, 1.0884, 1.0256], "mean": 1.0684, "spread": 0.0656}, "repeats_hs": {"runs": 3, "values": [1.4417, 1.5177, 1.4874], "mean": 1.4823, "spread": 0.076}, "at": 1786817261}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789721, "scored_at": 1786817261, "alerts": [], "rank": 4318}, {"candidate_id": "ODC-320045", "res_at": 1787378049, "skeleton": "BSVOPWLZEKXUMQ", "hf_user": "1Dmeds", "display_name": "ODC26-G18", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 26.86, "axes": {"activity": 16.92, "binding": 0.82, "selectivity": 0.0, "admet": 2.66, "novelty": 3.71, "synthesis": 2.74}, "detail": {"activity": {"pAct_q10": 5.615, "fraction": 0.564}, "binding": {"pIC50": 4.78, "LE": 0.211, "potency_term": 0.058, "efficiency_cap": 0.705}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.753, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.05, "dili": 0.582}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.615375942155906, "aff_pf": 1.2162890036900837, "aff_hs": 1.7065348625183105, "repeats_pf": {"runs": 3, "values": [1.3157, 1.2229, 1.1102], "mean": 1.2163, "spread": 0.2055}, "repeats_hs": {"runs": 3, "values": [1.7846, 1.7072, 1.6278], "mean": 1.7065, "spread": 0.1568}, "at": 1787378049}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372765, "scored_at": 1787378049, "alerts": [], "rank": 4319}, {"candidate_id": "ODC-AAB114", "res_at": 1789999759, "skeleton": "NRFAOXDKRDGPFB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 26.846, "axes": {"activity": 12.53, "binding": 6.36, "selectivity": 0.68, "admet": 2.53, "novelty": 2.98, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.352, "fraction": 0.418}, "binding": {"pIC50": 6.18, "LE": 0.242, "potency_term": 0.394, "efficiency_cap": 0.807}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.394}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.942, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.526, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.351792806393587, "aff_pf": -0.1831499586502711, "aff_hs": -0.010205909609794617, "repeats_pf": {"runs": 3, "values": [-0.1794, -0.1335, -0.2365], "mean": -0.1831, "spread": 0.103}, "repeats_hs": {"runs": 3, "values": [-0.1666, 0.0069, 0.129], "mean": -0.0102, "spread": 0.2956}, "at": 1789999759}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [26.098, 27.613], "relegate_reason": [], "submitted_at": 1789993023, "scored_at": 1789999759, "rank": 4320}, {"candidate_id": "ODC-AA266F", "res_at": 1788979449, "skeleton": "TVSUNGMFSGIAQZ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········Cl)c1", "total": 26.844, "axes": {"activity": 7.19, "binding": 8.17, "selectivity": 3.97, "admet": 3.02, "novelty": 2.46, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.031, "fraction": 0.24}, "binding": {"pIC50": 6.22, "LE": 0.355, "potency_term": 0.408, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.613, "herg": 0.627, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "0", "pAct_q10": 5.0311467842577, "aff_pf": -0.22485155860582987, "aff_hs": 0.7475603222846985, "repeats_pf": {"runs": 3, "values": [-0.2869, -0.1978, -0.1898], "mean": -0.2249, "spread": 0.0971}, "repeats_hs": {"runs": 3, "values": [0.7245, 0.7356, 0.7826], "mean": 0.7476, "spread": 0.0581}, "at": 1788979449}, "tier": 1, "alerts": [], "total_sd": 0.533, "total_ci95": [26.119, 28.106], "relegate_reason": [], "submitted_at": 1788971924, "scored_at": 1788979449, "rank": 4321}, {"candidate_id": "ODC-B144C8", "res_at": 1790000785, "skeleton": "VCJDXZWFKLQGDI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 26.828, "axes": {"activity": 16.73, "binding": 0.55, "selectivity": 0.0, "admet": 3.46, "novelty": 3.7, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.604, "fraction": 0.558}, "binding": {"pIC50": 4.68, "LE": 0.183, "potency_term": 0.045, "efficiency_cap": 0.611}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.785, "ld50-zhu": 0.588, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.603620630609117, "aff_pf": 1.317094047864278, "aff_hs": 1.119757612546285, "repeats_pf": {"runs": 3, "values": [1.2387, 1.3334, 1.3792], "mean": 1.3171, "spread": 0.1405}, "repeats_hs": {"runs": 3, "values": [1.0948, 1.0917, 1.1728], "mean": 1.1198, "spread": 0.081}, "at": 1790000785}, "tier": 1, "alerts": [], "total_sd": 0.052, "total_ci95": [26.742, 26.959], "relegate_reason": [], "submitted_at": 1789993119, "scored_at": 1790000785, "rank": 4322}, {"candidate_id": "ODC-30EBCD", "res_at": 1788144433, "skeleton": "AEIULIQLDILUER", "hf_user": "Bio-JS", "display_name": "C2 피롤카복사마이드 CH2->CF2", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C(··········C1CC1", "total": 26.813, "axes": {"activity": 14.47, "binding": 3.71, "selectivity": 0.78, "admet": 3.67, "novelty": 2.06, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.468, "fraction": 0.482}, "binding": {"pIC50": 5.57, "LE": 0.293, "potency_term": 0.189, "efficiency_cap": 0.978}, "selectivity": {"fold": 2.6, "selectivity_term": 0.206, "target_engagement": 0.189}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.522, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.427}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.468298231357344, "aff_pf": 0.43154110511144, "aff_hs": 0.8425695300102234, "repeats_pf": {"runs": 3, "values": [0.35, 0.4731, 0.4715], "mean": 0.4315, "spread": 0.1231}, "repeats_hs": {"runs": 3, "values": [0.8658, 0.8433, 0.8186], "mean": 0.8426, "spread": 0.0472}, "at": 1788144433}, "tier": 1, "alerts": [], "total_sd": 0.349, "total_ci95": [26.364, 27.695], "relegate_reason": [], "submitted_at": 1788139268, "scored_at": 1788144433, "rank": 4323}, {"candidate_id": "ODC-86BDE8", "res_at": 1786889975, "skeleton": "KNYJIJFKHXMRIZ", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········F)c1F", "total": 26.804, "axes": {"activity": 6.92, "binding": 8.68, "selectivity": 3.0, "admet": 3.3, "novelty": 3.06, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.015, "fraction": 0.231}, "binding": {"pIC50": 6.3, "LE": 0.345, "potency_term": 0.434, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.346, "target_engagement": 0.434}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.564, "herg": 0.242, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 5.015467154999618, "aff_pf": -0.3018192450205485, "aff_hs": 0.3906492094198863, "repeats_pf": {"runs": 3, "values": [-0.2888, -0.2865, -0.3302], "mean": -0.3018, "spread": 0.0437}, "repeats_hs": {"runs": 3, "values": [0.4761, 0.352, 0.3439], "mean": 0.3906, "spread": 0.1322}, "at": 1786889975}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881026, "scored_at": 1786889975, "alerts": [], "rank": 4324}, {"candidate_id": "ODC-2A7AB8", "res_at": 1787011612, "skeleton": "HRHZEXQKRZVFGK", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········COCC1", "total": 26.776, "axes": {"activity": 16.06, "binding": 1.84, "selectivity": 0.01, "admet": 2.51, "novelty": 3.75, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 5.563, "fraction": 0.535}, "binding": {"pIC50": 5.37, "LE": 0.223, "potency_term": 0.124, "efficiency_cap": 0.743}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 0.988, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.746}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 5.563488161047883, "aff_pf": 0.6282823781172434, "aff_hs": 0.635221133629481, "repeats_pf": {"runs": 3, "values": [0.4553, 0.9986, 0.431], "mean": 0.6283, "spread": 0.5676}, "repeats_hs": {"runs": 3, "values": [0.729, 0.3604, 0.8162], "mean": 0.6352, "spread": 0.4559}, "at": 1787011612}, "tier": 1, "relegate_reason": [], "submitted_at": 1787011407, "scored_at": 1787011612, "alerts": [], "rank": 4325}, {"candidate_id": "ODC-B18D74", "res_at": 1787438408, "skeleton": "QXCQAJXODKWHRY", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCN··········CCCC1", "total": 26.772, "axes": {"activity": 15.55, "binding": 3.38, "selectivity": 0.0, "admet": 2.67, "novelty": 3.34, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.533, "fraction": 0.518}, "binding": {"pIC50": 5.72, "LE": 0.212, "potency_term": 0.24, "efficiency_cap": 0.706}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.428, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.52, "herg": 0.05, "dili": 0.417}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.533277001129659, "aff_pf": 0.2807091822226842, "aff_hs": 0.13372809191544852, "repeats_pf": {"runs": 3, "values": [0.2101, 0.2701, 0.3619], "mean": 0.2807, "spread": 0.1518}, "repeats_hs": {"runs": 3, "values": [-0.1093, 0.2294, 0.2811], "mean": 0.1337, "spread": 0.3905}, "at": 1787438408}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436403, "scored_at": 1787438408, "alerts": [], "rank": 4326}, {"candidate_id": "ODC-4F8C7D", "res_at": 1787136991, "skeleton": "USSLXUMURRDSDD", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 26.761, "axes": {"activity": 16.55, "binding": 0.48, "selectivity": 0.08, "admet": 4.17, "novelty": 3.03, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.593, "fraction": 0.552}, "binding": {"pIC50": 5.07, "LE": 0.29, "potency_term": 0.025, "efficiency_cap": 0.966}, "selectivity": {"fold": 2.0, "selectivity_term": 0.156, "target_engagement": 0.025}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.579, "ld50-zhu": 0.709, "herg": 0.402, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.593065748745406, "aff_pf": 0.9256084760030111, "aff_hs": 1.2366260687510173, "repeats_pf": {"runs": 3, "values": [1.0838, 0.9324, 0.7607], "mean": 0.9256, "spread": 0.3231}, "repeats_hs": {"runs": 3, "values": [1.3306, 1.0213, 1.3579], "mean": 1.2366, "spread": 0.3366}, "at": 1787136991}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135488, "scored_at": 1787136991, "alerts": [], "rank": 4327}, {"candidate_id": "ODC-DF807F", "res_at": 1786985245, "skeleton": "GMHWTLHNFBJXGN", "hf_user": "1Dmeds", "display_name": "ODC26-R7C-03", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 26.741, "axes": {"activity": 9.05, "binding": 7.99, "selectivity": 3.78, "admet": 2.56, "novelty": 1.49, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 6.2, "LE": 0.404, "potency_term": 0.399, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.473, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.141, "ld50-zhu": 0.294, "herg": 0.33, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.627, "novelty": 0.373}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.142800526488707, "aff_pf": -0.19822519769271216, "aff_hs": 0.7484394709269205, "repeats_pf": {"runs": 3, "values": [-0.335, -0.1572, -0.1025], "mean": -0.1982, "spread": 0.2325}, "repeats_hs": {"runs": 3, "values": [0.8225, 0.8701, 0.5527], "mean": 0.7484, "spread": 0.3174}, "at": 1786985245}, "tier": 1, "relegate_reason": [], "submitted_at": 1786980842, "scored_at": 1786985245, "alerts": [], "rank": 4328}, {"candidate_id": "ODC-5BC3D6", "res_at": 1789373020, "skeleton": "VJNTZXNMTFIDLC", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 26.728, "axes": {"activity": 11.64, "binding": 7.74, "selectivity": 1.25, "admet": 2.96, "novelty": 1.91, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.299, "fraction": 0.388}, "binding": {"pIC50": 6.22, "LE": 0.284, "potency_term": 0.408, "efficiency_cap": 0.948}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.911, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.729, "herg": 0.135, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.298622726581135, "aff_pf": -0.22480257352193198, "aff_hs": 0.08200738454858462, "repeats_pf": {"runs": 3, "values": [-0.2589, -0.2453, -0.1702], "mean": -0.2248, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [0.1175, 0.0292, 0.0993], "mean": 0.082, "spread": 0.0882}, "at": 1789373020}, "tier": 1, "alerts": [], "total_sd": 0.341, "total_ci95": [26.073, 27.385], "relegate_reason": [], "submitted_at": 1789358446, "scored_at": 1789373020, "rank": 4329}, {"candidate_id": "ODC-4FEBF8", "res_at": 1788977912, "skeleton": "AJEOJKXFSWYZGI", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········Cl)c1", "total": 26.726, "axes": {"activity": 8.98, "binding": 8.42, "selectivity": 1.59, "admet": 3.02, "novelty": 2.62, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.139, "fraction": 0.299}, "binding": {"pIC50": 6.26, "LE": 0.373, "potency_term": 0.421, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.421}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.987, "ld50-zhu": 0.523, "herg": 0.572, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "0", "pAct_q10": 5.1388502893013435, "aff_pf": -0.262269193927447, "aff_hs": 0.11522022883097331, "repeats_pf": {"runs": 3, "values": [-0.218, -0.2693, -0.2995], "mean": -0.2623, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [0.1658, 0.1236, 0.0563], "mean": 0.1152, "spread": 0.1096}, "at": 1788977912}, "tier": 1, "alerts": [], "total_sd": 0.326, "total_ci95": [26.14, 27.321], "relegate_reason": [], "submitted_at": 1788971816, "scored_at": 1788977912, "rank": 4330}, {"candidate_id": "ODC-5199C1", "res_at": 1789211287, "skeleton": "XUDGQUMAVBXKME", "hf_user": "Bio-JS", "display_name": "0912-S1-x2CSC_anilOCHF2Cl", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSCc1nc··········)n2n1", "total": 26.721, "axes": {"activity": 7.71, "binding": 8.47, "selectivity": 3.64, "admet": 2.6, "novelty": 2.42, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.062, "fraction": 0.257}, "binding": {"pIC50": 6.27, "LE": 0.344, "potency_term": 0.423, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.423}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.555, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.753, "herg": 0.161, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.062466138752382, "aff_pf": -0.2704183409611384, "aff_hs": 0.5893380244572958, "repeats_pf": {"runs": 3, "values": [-0.2329, -0.3145, -0.2639], "mean": -0.2704, "spread": 0.0816}, "repeats_hs": {"runs": 3, "values": [0.6157, 0.6407, 0.5117], "mean": 0.5893, "spread": 0.129}, "at": 1789211287}, "tier": 1, "alerts": [], "total_sd": 0.384, "total_ci95": [25.971, 27.574], "relegate_reason": [], "submitted_at": 1789177575, "scored_at": 1789211287, "rank": 4331}, {"candidate_id": "ODC-9B9771", "res_at": 1787239495, "skeleton": "GDWJFSJOKLNAFY", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 26.719, "axes": {"activity": 11.77, "binding": 5.79, "selectivity": 3.06, "admet": 1.6, "novelty": 2.75, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 6.01, "LE": 0.257, "potency_term": 0.337, "efficiency_cap": 0.858}, "selectivity": {"fold": 8.1, "selectivity_term": 0.453, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.306279329343166, "aff_pf": -0.01196932295958201, "aff_hs": 0.8943760991096497, "repeats_pf": {"runs": 3, "values": [0.0072, -0.0189, -0.0242], "mean": -0.012, "spread": 0.0314}, "repeats_hs": {"runs": 3, "values": [0.9808, 0.8608, 0.8416], "mean": 0.8944, "spread": 0.1391}, "at": 1787239495}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234360, "scored_at": 1787239495, "alerts": [], "rank": 4332}, {"candidate_id": "ODC-C78754", "res_at": 1787421769, "skeleton": "XPINFAOGMHABHR", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)cc1F", "total": 26.719, "axes": {"activity": 14.4, "binding": 4.11, "selectivity": 0.3, "admet": 2.47, "novelty": 3.3, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 5.79, "LE": 0.233, "potency_term": 0.264, "efficiency_cap": 0.778}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.629, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.463, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.4639461962616425, "aff_pf": 0.20704098045825958, "aff_hs": 0.3208627824982007, "repeats_pf": {"runs": 3, "values": [0.4747, 0.0566, 0.0898], "mean": 0.207, "spread": 0.418}, "repeats_hs": {"runs": 3, "values": [0.6776, 0.0405, 0.2445], "mean": 0.3209, "spread": 0.6371}, "at": 1787421769}, "tier": 1, "relegate_reason": [], "submitted_at": 1787420988, "scored_at": 1787421769, "alerts": [], "rank": 4333}, {"candidate_id": "ODC-5C2A37", "res_at": 1787135282, "skeleton": "MTUSVERHSVBKLK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········c2)c1", "total": 26.696, "axes": {"activity": 17.92, "binding": 0.07, "selectivity": 0.01, "admet": 3.38, "novelty": 4.18, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.675, "fraction": 0.597}, "binding": {"pIC50": 5.02, "LE": 0.186, "potency_term": 0.006, "efficiency_cap": 0.619}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.006}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.411, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.15, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.569, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 4.67}}, "run": {"gpu": "3", "pAct_q10": 5.675428740161897, "aff_pf": 0.9833730061848959, "aff_hs": 1.104755163192749, "repeats_pf": {"runs": 3, "values": [0.9121, 0.989, 1.049], "mean": 0.9834, "spread": 0.137}, "repeats_hs": {"runs": 3, "values": [1.0969, 1.1104, 1.1069], "mean": 1.1048, "spread": 0.0134}, "at": 1787135282}, "tier": 1, "relegate_reason": [], "submitted_at": 1787134813, "scored_at": 1787135282, "alerts": [], "rank": 4334}, {"candidate_id": "ODC-6B0FC3", "res_at": 1787630755, "skeleton": "QNMKCITVNJBUTN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········3)cc1", "total": 26.682, "axes": {"activity": 13.36, "binding": 5.71, "selectivity": 0.92, "admet": 2.31, "novelty": 2.15, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 5.86, "LE": 0.298, "potency_term": 0.288, "efficiency_cap": 0.992}, "selectivity": {"fold": 2.1, "selectivity_term": 0.16, "target_engagement": 0.288}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.465, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.227, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.294, "ld50-zhu": 0.344, "herg": 0.05, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.4014856113457865, "aff_pf": 0.1357765570282936, "aff_hs": 0.45538880427678424, "repeats_pf": {"runs": 3, "values": [0.1754, 0.0441, 0.1878], "mean": 0.1358, "spread": 0.1437}, "repeats_hs": {"runs": 3, "values": [0.4219, 0.4637, 0.4806], "mean": 0.4554, "spread": 0.0587}, "at": 1787630755}, "tier": 1, "relegate_reason": [], "submitted_at": 1787623755, "scored_at": 1787630755, "alerts": [], "rank": 4335}, {"candidate_id": "ODC-33B0E2", "res_at": 1787618389, "skeleton": "LWCCVMIZKQHSSK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········c2)s1", "total": 26.663, "axes": {"activity": 14.95, "binding": 5.09, "selectivity": 0.0, "admet": 1.72, "novelty": 2.49, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 5.497, "fraction": 0.498}, "binding": {"pIC50": 5.95, "LE": 0.24, "potency_term": 0.318, "efficiency_cap": 0.8}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.318}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.299, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.576, "herg": 0.05, "dili": 0.558}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.497090856451363, "aff_pf": 0.0451531857252121, "aff_hs": 0.045442283153533936, "repeats_pf": {"runs": 3, "values": [0.0758, -0.016, 0.0756], "mean": 0.0452, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [-0.0033, -0.0206, 0.1603], "mean": 0.0454, "spread": 0.1809}, "at": 1787618389}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618212, "scored_at": 1787618389, "alerts": [], "rank": 4336}, {"candidate_id": "ODC-5A7131", "res_at": 1787366836, "skeleton": "BYGJXYAAYFQAKT", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 26.649, "axes": {"activity": 15.27, "binding": 1.52, "selectivity": 0.0, "admet": 4.23, "novelty": 3.8, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.516, "fraction": 0.509}, "binding": {"pIC50": 4.97, "LE": 0.243, "potency_term": 0.094, "efficiency_cap": 0.811}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.859, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.707, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.254, "novelty": 0.746}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.516475316615798, "aff_pf": 1.0254789590835571, "aff_hs": 0.4420628348986308, "repeats_pf": {"runs": 3, "values": [0.9896, 0.9611, 1.1257], "mean": 1.0255, "spread": 0.1646}, "repeats_hs": {"runs": 3, "values": [0.4602, 0.42, 0.446], "mean": 0.4421, "spread": 0.0402}, "at": 1787366836}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364664, "scored_at": 1787366836, "alerts": [], "rank": 4337}, {"candidate_id": "ODC-B361AA", "res_at": 1789892660, "skeleton": "YLCNTQJCBBMZLE", "hf_user": "Bio-JS", "display_name": "0918-S1-div30", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 26.641, "axes": {"activity": 13.93, "binding": 4.16, "selectivity": 0.81, "admet": 2.72, "novelty": 2.94, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.464}, "binding": {"pIC50": 5.63, "LE": 0.297, "potency_term": 0.21, "efficiency_cap": 0.989}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.21}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 5.435774762010388, "aff_pf": 0.3688217103481293, "aff_hs": 0.7560936212539673, "repeats_pf": {"runs": 3, "values": [0.2531, 0.5759, 0.2775], "mean": 0.3688, "spread": 0.3229}, "repeats_hs": {"runs": 3, "values": [0.8651, 0.6097, 0.7935], "mean": 0.7561, "spread": 0.2553}, "at": 1789892660}, "tier": 1, "alerts": [], "total_sd": 0.918, "total_ci95": [24.733, 27.99], "relegate_reason": [], "submitted_at": 1789687091, "scored_at": 1789892660, "rank": 4338}, {"candidate_id": "ODC-8DD681", "res_at": 1789914549, "skeleton": "YKCLBTGWECPYBV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 26.623, "axes": {"activity": 14.65, "binding": 3.51, "selectivity": 0.0, "admet": 3.25, "novelty": 3.45, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.488}, "binding": {"pIC50": 5.71, "LE": 0.223, "potency_term": 0.236, "efficiency_cap": 0.745}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.236}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.084, "cyp2c9-veith": 0.814, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.842, "herg": 0.05, "dili": 0.8}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "2", "pAct_q10": 5.478994164875979, "aff_pf": 0.29333649079004925, "aff_hs": 0.2785482356945674, "repeats_pf": {"runs": 3, "values": [0.4502, 0.3717, 0.0581], "mean": 0.2933, "spread": 0.3921}, "repeats_hs": {"runs": 3, "values": [0.1692, 0.1684, 0.498], "mean": 0.2785, "spread": 0.3296}, "at": 1789914549}, "tier": 1, "alerts": [], "total_sd": 0.771, "total_ci95": [25.769, 28.675], "relegate_reason": [], "submitted_at": 1789863597, "scored_at": 1789914549, "rank": 4339}, {"candidate_id": "ODC-02E704", "res_at": 1786961162, "skeleton": "AHWPCBDBBRQTAW", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCc1n··········C1CC1", "total": 26.621, "axes": {"activity": 13.68, "binding": 4.99, "selectivity": 0.78, "admet": 2.47, "novelty": 2.7, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 5.79, "LE": 0.283, "potency_term": 0.264, "efficiency_cap": 0.945}, "selectivity": {"fold": 2.0, "selectivity_term": 0.147, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.862, "herg": 0.226, "dili": 0.318}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.420998216435632, "aff_pf": 0.20703807969888052, "aff_hs": 0.5005761484305064, "repeats_pf": {"runs": 3, "values": [0.1563, 0.2307, 0.2341], "mean": 0.207, "spread": 0.0778}, "repeats_hs": {"runs": 3, "values": [0.4425, 0.4892, 0.5699], "mean": 0.5006, "spread": 0.1274}, "at": 1786961162}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959805, "scored_at": 1786961162, "alerts": [], "rank": 4340}, {"candidate_id": "ODC-38A03E", "res_at": 1786846662, "skeleton": "IVMZERQNSYVGJI", "hf_user": "ALEX32321", "display_name": "ALEXAI-Final8-V4-ClOMe", "model_name": "OpenCrab-ALEXAI final-8 benchmark v0.4", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Cl", "total": 26.619, "axes": {"activity": 12.51, "binding": 6.73, "selectivity": 0.28, "admet": 3.37, "novelty": 1.82, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.01, "LE": 0.374, "potency_term": 0.336, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.041, "target_engagement": 0.336}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.563, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.754, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.305, "herg": 0.325, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "2", "pAct_q10": 5.3506674568078285, "aff_pf": -0.009116583814223608, "aff_hs": 0.07286587357521057, "repeats_pf": {"runs": 3, "values": [-0.0622, 0.0072, 0.0277], "mean": -0.0091, "spread": 0.0899}, "repeats_hs": {"runs": 3, "values": [0.131, 0.0439, 0.0437], "mean": 0.0729, "spread": 0.0873}, "at": 1786846662}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837561, "scored_at": 1786846662, "alerts": [], "rank": 4341}, {"candidate_id": "ODC-61C893", "res_at": 1789088908, "skeleton": "HYJMHIGGQBUAST", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 26.615, "axes": {"activity": 17.05, "binding": 1.86, "selectivity": 0.21, "admet": 4.11, "novelty": 1.53, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.623, "fraction": 0.568}, "binding": {"pIC50": 5.33, "LE": 0.252, "potency_term": 0.111, "efficiency_cap": 0.84}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.111}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.593, "caco2-wang": 0.375, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.42, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.586, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.731, "novelty": 0.269}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "0", "pAct_q10": 5.62319584782591, "aff_pf": 0.6679582595825195, "aff_hs": 0.8571826219558716, "repeats_pf": {"runs": 3, "values": [0.7088, 0.6404, 0.6546], "mean": 0.668, "spread": 0.0684}, "repeats_hs": {"runs": 3, "values": [1.0156, 0.7625, 0.7934], "mean": 0.8572, "spread": 0.2532}, "at": 1789088908}, "tier": 1, "alerts": [], "total_sd": 0.14, "total_ci95": [26.366, 26.892], "relegate_reason": [], "submitted_at": 1789088625, "scored_at": 1789088908, "rank": 4342}, {"candidate_id": "ODC-6D9695", "res_at": 1787618771, "skeleton": "PFIDMFOXCFEHSC", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)s1", "total": 26.613, "axes": {"activity": 13.25, "binding": 7.27, "selectivity": 0.18, "admet": 1.55, "novelty": 2.24, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.395, "fraction": 0.442}, "binding": {"pIC50": 6.26, "LE": 0.26, "potency_term": 0.42, "efficiency_cap": 0.866}, "selectivity": {"fold": 1.1, "selectivity_term": 0.021, "target_engagement": 0.42}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.208, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.547}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.395158373507752, "aff_pf": -0.25863103071848553, "aff_hs": -0.21588971962531409, "repeats_pf": {"runs": 3, "values": [-0.3197, -0.1523, -0.3039], "mean": -0.2586, "spread": 0.1674}, "repeats_hs": {"runs": 3, "values": [-0.2744, -0.0518, -0.3215], "mean": -0.2159, "spread": 0.2697}, "at": 1787618771}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618229, "scored_at": 1787618771, "alerts": [], "rank": 4343}, {"candidate_id": "ODC-1B8759", "res_at": 1788333898, "skeleton": "FPKCDLLERZDTJZ", "hf_user": "Bio-JS", "display_name": "0902-페닐벤즈아마이드 벤조", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········Cl)c1", "total": 26.605, "axes": {"activity": 2.46, "binding": 10.71, "selectivity": 4.65, "admet": 2.96, "novelty": 3.15, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 4.52, "fraction": 0.082}, "binding": {"pIC50": 6.61, "LE": 0.453, "potency_term": 0.536, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.076, "caco2-wang": 0.938, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.447, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.0}}, "run": {"gpu": "3", "pAct_q10": 4.520259387110417, "aff_pf": -0.606599489847819, "aff_hs": 0.2612783908843994, "repeats_pf": {"runs": 3, "values": [-0.6424, -0.6493, -0.5281], "mean": -0.6066, "spread": 0.1211}, "repeats_hs": {"runs": 3, "values": [0.2537, 0.2935, 0.2366], "mean": 0.2613, "spread": 0.0569}, "at": 1788333898}, "tier": 1, "alerts": [], "total_sd": 0.634, "total_ci95": [25.688, 27.555], "relegate_reason": [], "submitted_at": 1788327434, "scored_at": 1788333898, "rank": 4344}, {"candidate_id": "ODC-784C67", "res_at": 1788858141, "skeleton": "ADGRUPONYSIIJT", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-17", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········sc2n1", "total": 26.601, "axes": {"activity": 9.37, "binding": 9.22, "selectivity": 0.0, "admet": 3.06, "novelty": 2.69, "synthesis": 2.27}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 6.38, "LE": 0.38, "potency_term": 0.461, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.461}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 0.714, "ld50-zhu": 0.842, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.162121184961188, "aff_pf": -0.38227848211924237, "aff_hs": -0.5682387948036194, "repeats_pf": {"runs": 3, "values": [-0.3876, -0.4038, -0.3555], "mean": -0.3823, "spread": 0.0483}, "repeats_hs": {"runs": 3, "values": [-0.5743, -0.5206, -0.6098], "mean": -0.5682, "spread": 0.0892}, "at": 1788858141}, "tier": 1, "alerts": [], "total_sd": 0.147, "total_ci95": [26.267, 26.87], "relegate_reason": [], "submitted_at": 1788856461, "scored_at": 1788858141, "rank": 4345}, {"candidate_id": "ODC-565E19", "res_at": 1786949804, "skeleton": "JFRTZMKLAOIHIY", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 26.575, "axes": {"activity": 16.0, "binding": 5.78, "selectivity": 0.39, "admet": 2.64, "novelty": 0.0, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.56, "fraction": 0.533}, "binding": {"pIC50": 5.93, "LE": 0.28, "potency_term": 0.31, "efficiency_cap": 0.934}, "selectivity": {"fold": 1.3, "selectivity_term": 0.063, "target_engagement": 0.31}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.464, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.560026497756264, "aff_pf": 0.07142920295397441, "aff_hs": 0.1971016526222229, "repeats_pf": {"runs": 3, "values": [-0.0408, 0.1067, 0.1484], "mean": 0.0714, "spread": 0.1892}, "repeats_hs": {"runs": 3, "values": [0.0955, 0.2451, 0.2506], "mean": 0.1971, "spread": 0.1551}, "at": 1786949804}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937533, "scored_at": 1786949804, "alerts": [], "rank": 4346}, {"candidate_id": "ODC-04C241", "res_at": 1787889286, "skeleton": "ICJNTAFPGJWNDP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-13", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········F)CC1", "total": 26.566, "axes": {"activity": 14.85, "binding": 3.66, "selectivity": 0.0, "admet": 2.7, "novelty": 3.34, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.491, "fraction": 0.495}, "binding": {"pIC50": 5.64, "LE": 0.258, "potency_term": 0.213, "efficiency_cap": 0.858}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.601, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.156, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.490719059869092, "aff_pf": 0.3611820787191391, "aff_hs": -0.4225034912427266, "repeats_pf": {"runs": 3, "values": [0.4445, 0.1345, 0.5045], "mean": 0.3612, "spread": 0.37}, "repeats_hs": {"runs": 3, "values": [-0.4144, -0.4384, -0.4147], "mean": -0.4225, "spread": 0.024}, "at": 1787889286}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841231, "scored_at": 1787889286, "alerts": [], "rank": 4347}, {"candidate_id": "ODC-E1877A", "res_at": 1787419726, "skeleton": "JVZCVEFUNJRBNN", "hf_user": "NILKNARFGonzo", "display_name": "2-(4-(4-methyl-6-(7-(pentylamino)naphthalen-2-yl)pyrazolo[3,", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "450-500", "visibility": "public", "smiles": "CCCCCNc1c(-c2cnc3c(-c4ccc(C(C)(C)C#N)cc4)c(C)nnc3c2)ccc2ccccc12", "smiles_masked": null, "total": 26.564, "axes": {"activity": 14.42, "binding": 4.12, "selectivity": 0.77, "admet": 2.03, "novelty": 3.11, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.481}, "binding": {"pIC50": 5.87, "LE": 0.212, "potency_term": 0.292, "efficiency_cap": 0.706}, "selectivity": {"fold": 1.8, "selectivity_term": 0.131, "target_engagement": 0.292}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.441, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.337, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.592, "herg": 0.05, "dili": 0.785}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.465080916677659, "aff_pf": 0.12500764429569244, "aff_hs": 0.3873163163661957, "repeats_pf": {"runs": 3, "values": [0.1859, 0.2129, -0.0238], "mean": 0.125, "spread": 0.2368}, "repeats_hs": {"runs": 3, "values": [0.4174, 0.3125, 0.432], "mean": 0.3873, "spread": 0.1194}, "at": 1787419726}, "tier": 1, "relegate_reason": [], "submitted_at": 1787419517, "scored_at": 1787419726, "alerts": [], "rank": 4348}, {"candidate_id": "ODC-BBC45E", "res_at": 1788235435, "skeleton": "CSGBYZHWACHCDS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 26.563, "axes": {"activity": 10.78, "binding": 8.48, "selectivity": 0.73, "admet": 1.8, "novelty": 2.66, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.359}, "binding": {"pIC50": 6.57, "LE": 0.243, "potency_term": 0.523, "efficiency_cap": 0.811}, "selectivity": {"fold": 1.4, "selectivity_term": 0.07, "target_engagement": 0.523}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.963, "ld50-zhu": 0.763, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.246517415485081, "aff_pf": -0.5686357220013937, "aff_hs": -0.42864084243774414, "repeats_pf": {"runs": 3, "values": [-0.6473, -0.6094, -0.4493], "mean": -0.5686, "spread": 0.198}, "repeats_hs": {"runs": 3, "values": [-0.56, -0.4454, -0.2805], "mean": -0.4286, "spread": 0.2795}, "at": 1788235435}, "tier": 1, "alerts": [], "total_sd": 0.896, "total_ci95": [25.053, 28.278], "relegate_reason": [], "submitted_at": 1788193079, "scored_at": 1788235435, "rank": 4349}, {"candidate_id": "ODC-4CDDC7", "res_at": 1787289279, "skeleton": "RDYXTDVTJFCHMY", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 26.562, "axes": {"activity": 12.31, "binding": 6.18, "selectivity": 0.02, "admet": 3.53, "novelty": 3.06, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.339, "fraction": 0.41}, "binding": {"pIC50": 5.93, "LE": 0.301, "potency_term": 0.309, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.911, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.707, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.33880974490169, "aff_pf": 0.072321650882562, "aff_hs": 0.07727433741092682, "repeats_pf": {"runs": 3, "values": [-0.0557, 0.0126, 0.2601], "mean": 0.0723, "spread": 0.3158}, "repeats_hs": {"runs": 3, "values": [-0.0749, 0.1761, 0.1306], "mean": 0.0773, "spread": 0.251}, "at": 1787289279}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286776, "scored_at": 1787289279, "alerts": [], "rank": 4350}, {"candidate_id": "ODC-E85E81", "res_at": 1787954112, "skeleton": "RTUHIHQZDWKJKU", "hf_user": "Ku-ku", "display_name": "2026-08-29:malaria:", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········C1)C2", "total": 26.562, "axes": {"activity": 10.57, "binding": 9.38, "selectivity": 0.0, "admet": 1.75, "novelty": 3.49, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.234, "fraction": 0.352}, "binding": {"pIC50": 6.51, "LE": 0.279, "potency_term": 0.504, "efficiency_cap": 0.93}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.504}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 0.983, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.061, "ld50-zhu": 0.907, "herg": 0.05, "dili": 0.197}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.93}}, "run": {"gpu": "3", "pAct_q10": 5.233955406185531, "aff_pf": -0.5134047071139017, "aff_hs": -1.2480512857437134, "repeats_pf": {"runs": 3, "values": [-0.417, -0.4515, -0.6716], "mean": -0.5134, "spread": 0.2546}, "repeats_hs": {"runs": 3, "values": [-1.2965, -1.2919, -1.1557], "mean": -1.2481, "spread": 0.1408}, "at": 1787954112}, "tier": 1, "relegate_reason": [], "submitted_at": 1787946089, "scored_at": 1787954112, "alerts": [], "rank": 4351}, {"candidate_id": "ODC-6C7E20", "res_at": 1788524537, "skeleton": "ZFLKNMXTKNYMSS", "hf_user": "rowett", "display_name": "CSH.cmc.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 26.546, "axes": {"activity": 15.87, "binding": 3.11, "selectivity": 0.0, "admet": 2.47, "novelty": 3.11, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.552, "fraction": 0.529}, "binding": {"pIC50": 5.57, "LE": 0.246, "potency_term": 0.189, "efficiency_cap": 0.82}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.189}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.249, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.656, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "0", "pAct_q10": 5.552469424218253, "aff_pf": 0.4317823847134908, "aff_hs": 0.3257078528404236, "repeats_pf": {"runs": 3, "values": [0.3211, 0.5211, 0.4531], "mean": 0.4318, "spread": 0.2}, "repeats_hs": {"runs": 3, "values": [0.3704, 0.3018, 0.3049], "mean": 0.3257, "spread": 0.0685}, "at": 1788524537}, "tier": 1, "alerts": [], "total_sd": 0.322, "total_ci95": [26.016, 27.236], "relegate_reason": [], "submitted_at": 1788489466, "scored_at": 1788524537, "rank": 4352}, {"candidate_id": "ODC-1BE88D", "res_at": 1788082059, "skeleton": "OYFSZVPGLWXEBW", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.51, "axes": {"activity": 11.04, "binding": 7.12, "selectivity": 2.95, "admet": 2.72, "novelty": 0.84, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.262, "fraction": 0.368}, "binding": {"pIC50": 6.07, "LE": 0.378, "potency_term": 0.356, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.356}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.773, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.361, "herg": 0.222, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.773, "novelty": 0.227}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "0", "pAct_q10": 5.2622112673912165, "aff_pf": -0.06836987783511479, "aff_hs": 0.7610515554745992, "repeats_pf": {"runs": 3, "values": [-0.2517, -0.114, 0.1606], "mean": -0.0684, "spread": 0.4124}, "repeats_hs": {"runs": 3, "values": [0.7031, 0.7456, 0.8344], "mean": 0.7611, "spread": 0.1312}, "at": 1788082059}, "tier": 1, "alerts": [], "total_sd": 1.456, "total_ci95": [23.749, 29.668], "relegate_reason": [], "submitted_at": 1788063243, "scored_at": 1788082059, "rank": 4353}, {"candidate_id": "ODC-8BBA3B", "res_at": 1789914134, "skeleton": "OIZILNBEQDECSD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 26.501, "axes": {"activity": 13.91, "binding": 4.2, "selectivity": 0.0, "admet": 3.51, "novelty": 2.98, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.434, "fraction": 0.464}, "binding": {"pIC50": 5.87, "LE": 0.217, "potency_term": 0.29, "efficiency_cap": 0.725}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.545, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.488, "cyp2c9-veith": 0.892, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.903, "herg": 0.05, "dili": 0.385}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "2", "pAct_q10": 5.43446331890875, "aff_pf": 0.12970623622337976, "aff_hs": -0.15334474543730417, "repeats_pf": {"runs": 3, "values": [-0.0813, 0.0821, 0.3884], "mean": 0.1297, "spread": 0.4697}, "repeats_hs": {"runs": 3, "values": [-0.1629, -0.1622, -0.1349], "mean": -0.1533, "spread": 0.028}, "at": 1789914134}, "tier": 1, "alerts": [], "total_sd": 0.598, "total_ci95": [25.652, 27.708], "relegate_reason": [], "submitted_at": 1789863585, "scored_at": 1789914134, "rank": 4354}, {"candidate_id": "ODC-3FFCD8", "res_at": 1786976065, "skeleton": "VFUSOAIWCTWALK", "hf_user": "takutoyo", "display_name": "PfD3-04", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········nc2n1", "total": 26.487, "axes": {"activity": 11.87, "binding": 6.98, "selectivity": 1.68, "admet": 2.04, "novelty": 2.13, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 6.05, "LE": 0.307, "potency_term": 0.349, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.349}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.693, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.255, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.311963875528216, "aff_pf": -0.04753199219703674, "aff_hs": 0.4328105350335439, "repeats_pf": {"runs": 3, "values": [-0.0377, 0.0014, -0.1062], "mean": -0.0475, "spread": 0.1076}, "repeats_hs": {"runs": 3, "values": [0.4593, 0.4974, 0.3417], "mean": 0.4328, "spread": 0.1557}, "at": 1786976065}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975662, "scored_at": 1786976065, "alerts": [], "rank": 4355}, {"candidate_id": "ODC-C2A8A8", "res_at": 1787267990, "skeleton": "ZVMJHDFPDBDLRH", "hf_user": "Ku-ku", "display_name": "W3_nPent_PhF", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 26.48, "axes": {"activity": 16.34, "binding": 0.44, "selectivity": 0.0, "admet": 3.49, "novelty": 3.49, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.545}, "binding": {"pIC50": 4.58, "LE": 0.19, "potency_term": 0.035, "efficiency_cap": 0.634}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.637, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "3", "pAct_q10": 5.580182719583062, "aff_pf": 1.4188432296117146, "aff_hs": 1.360378623008728, "repeats_pf": {"runs": 3, "values": [1.3919, 1.4046, 1.4601], "mean": 1.4188, "spread": 0.0682}, "repeats_hs": {"runs": 3, "values": [1.4088, 1.3121, 1.3603], "mean": 1.3604, "spread": 0.0967}, "at": 1787267990}, "tier": 1, "relegate_reason": [], "submitted_at": 1787267263, "scored_at": 1787267990, "alerts": [], "rank": 4356}, {"candidate_id": "ODC-D49C14", "res_at": 1787555913, "skeleton": "PQFDWDKJNZUFBV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········F)CC2", "total": 26.477, "axes": {"activity": 11.46, "binding": 7.63, "selectivity": 0.0, "admet": 3.27, "novelty": 2.92, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 6.18, "LE": 0.292, "potency_term": 0.392, "efficiency_cap": 0.973}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.848, "cyp2c9-veith": 0.868, "cyp3a4-substrate-carbonmangels": 0.16, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.235, "novelty": 0.765}, "synthesis": {"sa_score": 3.81}}, "run": {"gpu": "3", "pAct_q10": 5.287569835651613, "aff_pf": -0.17702924460172653, "aff_hs": -0.3823988338311513, "repeats_pf": {"runs": 3, "values": [-0.0808, -0.3226, -0.1277], "mean": -0.177, "spread": 0.2419}, "repeats_hs": {"runs": 3, "values": [-0.3888, -0.4371, -0.3212], "mean": -0.3824, "spread": 0.1159}, "at": 1787555913}, "tier": 1, "relegate_reason": [], "submitted_at": 1787537256, "scored_at": 1787555913, "alerts": [], "rank": 4357}, {"candidate_id": "ODC-720A85", "res_at": 1786931247, "skeleton": "JJCDVKFRHUMINS", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)c2s1", "total": 26.462, "axes": {"activity": 8.35, "binding": 9.43, "selectivity": 0.0, "admet": 3.53, "novelty": 3.37, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 6.42, "LE": 0.366, "potency_term": 0.472, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.472}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.923, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.99, "ld50-zhu": 0.718, "herg": 0.394, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.100978403569133, "aff_pf": -0.4150473674138387, "aff_hs": -0.6564434369405111, "repeats_pf": {"runs": 3, "values": [-0.4094, -0.4682, -0.3676], "mean": -0.415, "spread": 0.1006}, "repeats_hs": {"runs": 3, "values": [-0.8655, -0.5423, -0.5615], "mean": -0.6564, "spread": 0.3232}, "at": 1786931247}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924951, "scored_at": 1786931247, "alerts": [], "rank": 4358}, {"candidate_id": "ODC-7A3FEC", "res_at": 1788520504, "skeleton": "HCRUKCGMDOQOGU", "hf_user": "Bio-JS", "display_name": "0904-S1 quota probe", "model_name": "Bio-JS", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 26.461, "axes": {"activity": 10.86, "binding": 7.51, "selectivity": 2.44, "admet": 2.1, "novelty": 1.78, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 6.13, "LE": 0.323, "potency_term": 0.376, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.325, "target_engagement": 0.376}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.158, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.251844074933071, "aff_pf": -0.12702886760234833, "aff_hs": 0.5220066507657369, "repeats_pf": {"runs": 3, "values": [-0.1957, -0.0715, -0.1138], "mean": -0.127, "spread": 0.1242}, "repeats_hs": {"runs": 3, "values": [0.6137, 0.493, 0.4593], "mean": 0.522, "spread": 0.1545}, "at": 1788520504}, "tier": 1, "alerts": [], "total_sd": 0.583, "total_ci95": [25.555, 27.685], "relegate_reason": [], "submitted_at": 1788488222, "scored_at": 1788520504, "rank": 4359}, {"candidate_id": "ODC-42D4A6", "res_at": 1789956571, "skeleton": "NKBXTRQAXJZMHI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 26.442, "axes": {"activity": 13.13, "binding": 4.02, "selectivity": 1.26, "admet": 3.33, "novelty": 3.05, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.388, "fraction": 0.438}, "binding": {"pIC50": 5.8, "LE": 0.227, "potency_term": 0.265, "efficiency_cap": 0.756}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.479, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.197, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.959}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "2", "pAct_q10": 5.387897113595739, "aff_pf": 0.2036339764793714, "aff_hs": 0.6781805356343588, "repeats_pf": {"runs": 3, "values": [0.301, 0.2461, 0.0638], "mean": 0.2036, "spread": 0.2371}, "repeats_hs": {"runs": 3, "values": [0.7381, 0.7001, 0.5964], "mean": 0.6782, "spread": 0.1417}, "at": 1789956571}, "tier": 1, "alerts": [], "total_sd": 0.564, "total_ci95": [25.597, 27.919], "relegate_reason": [], "submitted_at": 1789863691, "scored_at": 1789956571, "rank": 4360}, {"candidate_id": "ODC-7C4630", "res_at": 1788467630, "skeleton": "CNUGPCOZBJLIPA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········CCCC1", "total": 26.432, "axes": {"activity": 9.85, "binding": 7.02, "selectivity": 4.06, "admet": 1.6, "novelty": 2.51, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 6.31, "LE": 0.24, "potency_term": 0.438, "efficiency_cap": 0.801}, "selectivity": {"fold": 8.5, "selectivity_term": 0.464, "target_engagement": 0.438}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 0.976, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.296, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.554}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.191242619979795, "aff_pf": -0.3144315381844838, "aff_hs": 0.6130736271540324, "repeats_pf": {"runs": 3, "values": [-0.4484, -0.2993, -0.1956], "mean": -0.3144, "spread": 0.2528}, "repeats_hs": {"runs": 3, "values": [0.5767, 0.5863, 0.6763], "mean": 0.6131, "spread": 0.0996}, "at": 1788467630}, "tier": 1, "alerts": [], "total_sd": 1.148, "total_ci95": [24.497, 29.061], "relegate_reason": [], "submitted_at": 1788394330, "scored_at": 1788467630, "rank": 4361}, {"candidate_id": "ODC-40ED8C", "res_at": 1789610201, "skeleton": "ORVWNTVTKUSUAE", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 26.426, "axes": {"activity": 12.43, "binding": 7.02, "selectivity": 0.31, "admet": 2.82, "novelty": 2.85, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.414}, "binding": {"pIC50": 6.25, "LE": 0.252, "potency_term": 0.418, "efficiency_cap": 0.84}, "selectivity": {"fold": 1.2, "selectivity_term": 0.037, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.425, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.995, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.31}}, "run": {"gpu": "0", "pAct_q10": 5.34601734760338, "aff_pf": -0.2535651723543803, "aff_hs": -0.18029813965161642, "repeats_pf": {"runs": 3, "values": [-0.232, -0.2718, -0.2569], "mean": -0.2536, "spread": 0.0397}, "repeats_hs": {"runs": 3, "values": [-0.2455, -0.0469, -0.2486], "mean": -0.1803, "spread": 0.2017}, "at": 1789610201}, "tier": 1, "alerts": [], "total_sd": 0.242, "total_ci95": [26.031, 26.984], "relegate_reason": [], "submitted_at": 1789609866, "scored_at": 1789610201, "rank": 4362}, {"candidate_id": "ODC-CCACAD", "res_at": 1789287110, "skeleton": "ZZUDNCBZIYSJBC", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(N(··········c1C#N", "total": 26.423, "axes": {"activity": 13.98, "binding": 2.95, "selectivity": 1.74, "admet": 2.63, "novelty": 3.51, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 5.48, "LE": 0.278, "potency_term": 0.159, "efficiency_cap": 0.927}, "selectivity": {"fold": 12.3, "selectivity_term": 0.545, "target_engagement": 0.159}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.955, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 5.438519825080389, "aff_pf": 0.5218902826309204, "aff_hs": 1.611817200978597, "repeats_pf": {"runs": 3, "values": [0.4422, 0.582, 0.5415], "mean": 0.5219, "spread": 0.1398}, "repeats_hs": {"runs": 3, "values": [1.5437, 1.6247, 1.667], "mean": 1.6118, "spread": 0.1233}, "at": 1789287110}, "tier": 1, "alerts": [], "total_sd": 0.414, "total_ci95": [25.664, 27.403], "relegate_reason": [], "submitted_at": 1789286651, "scored_at": 1789287110, "rank": 4363}, {"candidate_id": "ODC-C849D9", "res_at": 1787193637, "skeleton": "MSBNSYFYSUWKQE", "hf_user": "Ku-ku", "display_name": "MZ1_leaderfamily", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········C2)C1", "total": 26.365, "axes": {"activity": 15.79, "binding": 2.07, "selectivity": 0.0, "admet": 3.11, "novelty": 3.58, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.548, "fraction": 0.526}, "binding": {"pIC50": 5.41, "LE": 0.225, "potency_term": 0.138, "efficiency_cap": 0.749}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.103, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.208, "ld50-zhu": 0.799, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.547545477119526, "aff_pf": 0.5864523351192474, "aff_hs": 0.5011639893054962, "repeats_pf": {"runs": 3, "values": [0.6697, 0.4346, 0.6551], "mean": 0.5865, "spread": 0.2352}, "repeats_hs": {"runs": 3, "values": [0.7453, 0.5451, 0.2131], "mean": 0.5012, "spread": 0.5322}, "at": 1787193637}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190304, "scored_at": 1787193637, "alerts": [], "rank": 4364}, {"candidate_id": "ODC-360A8B", "res_at": 1788303641, "skeleton": "DAJKWWVAHAAYMT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC=COc1··········2)cc1", "total": 26.358, "axes": {"activity": 13.49, "binding": 6.19, "selectivity": 0.0, "admet": 1.8, "novelty": 2.91, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 6.27, "LE": 0.22, "potency_term": 0.422, "efficiency_cap": 0.734}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.422}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.4093468480629605, "aff_pf": -0.2657943069934845, "aff_hs": -0.3221239348252614, "repeats_pf": {"runs": 3, "values": [-0.2019, -0.3694, -0.2261], "mean": -0.2658, "spread": 0.1675}, "repeats_hs": {"runs": 3, "values": [-0.2454, -0.3307, -0.3903], "mean": -0.3221, "spread": 0.1449}, "at": 1788303641}, "tier": 1, "alerts": [], "total_sd": 0.292, "total_ci95": [26.032, 27.191], "relegate_reason": [], "submitted_at": 1788275418, "scored_at": 1788303641, "rank": 4365}, {"candidate_id": "ODC-B3B24E", "res_at": 1788780415, "skeleton": "MJTUBAXQWZVCLO", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-CHAMP02]", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 26.345, "axes": {"activity": 15.02, "binding": 2.97, "selectivity": 0.61, "admet": 2.27, "novelty": 3.05, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.501, "fraction": 0.501}, "binding": {"pIC50": 5.61, "LE": 0.22, "potency_term": 0.203, "efficiency_cap": 0.732}, "selectivity": {"fold": 2.0, "selectivity_term": 0.15, "target_engagement": 0.203}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.533, "herg": 0.05, "dili": 0.353}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.501205834474008, "aff_pf": 0.39046137531598407, "aff_hs": 0.6905676126480103, "repeats_pf": {"runs": 3, "values": [0.2527, 0.4773, 0.4414], "mean": 0.3905, "spread": 0.2246}, "repeats_hs": {"runs": 3, "values": [0.8475, 0.5305, 0.6937], "mean": 0.6906, "spread": 0.317}, "at": 1788780415}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.481, "total_ci95": [25.554, 27.452], "relegate_reason": [], "submitted_at": 1788670853, "scored_at": 1788780415, "rank": 4366}, {"candidate_id": "ODC-1882CB", "res_at": 1790001526, "skeleton": "JEBYGXNHMWEYSJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 26.34, "axes": {"activity": 14.4, "binding": 3.87, "selectivity": 0.0, "admet": 2.87, "novelty": 3.12, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 5.75, "LE": 0.232, "potency_term": 0.25, "efficiency_cap": 0.772}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.25}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.928, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.341, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.463753723066272, "aff_pf": 0.24921695391337076, "aff_hs": -0.0015775760014851887, "repeats_pf": {"runs": 3, "values": [0.2383, 0.2428, 0.2665], "mean": 0.2492, "spread": 0.0282}, "repeats_hs": {"runs": 3, "values": [0.1023, -0.0429, -0.0641], "mean": -0.0016, "spread": 0.1664}, "at": 1790001526}, "tier": 1, "alerts": [], "total_sd": 0.041, "total_ci95": [26.285, 26.403], "relegate_reason": [], "submitted_at": 1789993220, "scored_at": 1790001526, "rank": 4367}, {"candidate_id": "ODC-C70D15", "res_at": 1787253751, "skeleton": "JWADJHBZXVBNMZ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 26.334, "axes": {"activity": 11.95, "binding": 6.85, "selectivity": 0.36, "admet": 2.61, "novelty": 2.82, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.398}, "binding": {"pIC50": 6.03, "LE": 0.306, "potency_term": 0.343, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.052, "target_engagement": 0.343}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.92, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.37, "ld50-zhu": 0.585, "herg": 0.4, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.317147044107405, "aff_pf": -0.02787948151429494, "aff_hs": 0.07603960732618968, "repeats_pf": {"runs": 3, "values": [-0.055, -0.1056, 0.077], "mean": -0.0279, "spread": 0.1826}, "repeats_hs": {"runs": 3, "values": [0.0781, 0.1186, 0.0315], "mean": 0.076, "spread": 0.0871}, "at": 1787253751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246772, "scored_at": 1787253751, "alerts": [], "rank": 4368}, {"candidate_id": "ODC-73D769", "res_at": 1788057257, "skeleton": "CQLDHNAEOUCKFV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.319, "axes": {"activity": 14.68, "binding": 3.3, "selectivity": 1.88, "admet": 3.32, "novelty": 1.74, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 5.67, "LE": 0.222, "potency_term": 0.223, "efficiency_cap": 0.74}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.507, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.425, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.692, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.645, "novelty": 0.355}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.480923434329609, "aff_pf": 0.3308166762193044, "aff_hs": 1.1748175422350566, "repeats_pf": {"runs": 3, "values": [0.3343, 0.3701, 0.288], "mean": 0.3308, "spread": 0.0821}, "repeats_hs": {"runs": 3, "values": [1.2376, 0.9646, 1.3223], "mean": 1.1748, "spread": 0.3577}, "at": 1788057257}, "tier": 1, "alerts": [], "total_sd": 0.287, "total_ci95": [25.778, 26.888], "relegate_reason": [], "submitted_at": 1788007129, "scored_at": 1788057257, "rank": 4369}, {"candidate_id": "ODC-EA8BA1", "res_at": 1787019790, "skeleton": "ZDEVILZYILPGBA", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, matched-pair SAR)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.297, "axes": {"activity": 7.63, "binding": 7.93, "selectivity": 4.99, "admet": 2.84, "novelty": 0.92, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.058, "fraction": 0.254}, "binding": {"pIC50": 6.19, "LE": 0.424, "potency_term": 0.397, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.1, "selectivity_term": 0.629, "target_engagement": 0.397}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.768, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.29, "herg": 0.585, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.767, "novelty": 0.233}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "3", "pAct_q10": 5.057612201664963, "aff_pf": -0.18997928500175476, "aff_hs": 1.068507234255473, "repeats_pf": {"runs": 3, "values": [-0.1452, -0.1095, -0.3152], "mean": -0.19, "spread": 0.2056}, "repeats_hs": {"runs": 3, "values": [1.1795, 1.0579, 0.9681], "mean": 1.0685, "spread": 0.2114}, "at": 1787019790}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019398, "scored_at": 1787019790, "alerts": [], "rank": 4370}, {"candidate_id": "ODC-6F27D8", "res_at": 1787388999, "skeleton": "PXQXDHGTUOJNQV", "hf_user": "Ku-ku", "display_name": "V6_anilineNMe_ring", "model_name": "Claude-Opus", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 26.294, "axes": {"activity": 15.96, "binding": 0.49, "selectivity": 0.0, "admet": 3.82, "novelty": 3.6, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.558, "fraction": 0.532}, "binding": {"pIC50": 4.48, "LE": 0.267, "potency_term": 0.027, "efficiency_cap": 0.89}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.3, "cyp3a4-substrate-carbonmangels": 0.079, "ld50-zhu": 0.518, "herg": 0.143, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.5575982364766405, "aff_pf": 1.5177425543467205, "aff_hs": 1.6591601371765137, "repeats_pf": {"runs": 3, "values": [1.4973, 1.5997, 1.4562], "mean": 1.5177, "spread": 0.1434}, "repeats_hs": {"runs": 3, "values": [1.6288, 1.6464, 1.7023], "mean": 1.6592, "spread": 0.0735}, "at": 1787388999}, "tier": 1, "relegate_reason": [], "submitted_at": 1787388027, "scored_at": 1787388999, "alerts": [], "rank": 4371}, {"candidate_id": "ODC-66B897", "res_at": 1787058654, "skeleton": "MHQJCCDBNHLLMC", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)c2c1", "total": 26.291, "axes": {"activity": 7.87, "binding": 8.38, "selectivity": 3.64, "admet": 1.96, "novelty": 2.75, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.072, "fraction": 0.262}, "binding": {"pIC50": 6.27, "LE": 0.296, "potency_term": 0.424, "efficiency_cap": 0.988}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.424}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.083, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.788, "herg": 0.05, "dili": 0.291}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.072082719708235, "aff_pf": -0.2721235106388728, "aff_hs": 0.5860803325970968, "repeats_pf": {"runs": 3, "values": [-0.3189, -0.2119, -0.2855], "mean": -0.2721, "spread": 0.107}, "repeats_hs": {"runs": 3, "values": [0.5656, 0.5893, 0.6033], "mean": 0.5861, "spread": 0.0377}, "at": 1787058654}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057482, "scored_at": 1787058654, "alerts": [], "rank": 4372}, {"candidate_id": "ODC-8B3F41", "res_at": 1786960964, "skeleton": "GXPRMDSOUPYIAF", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········1CCC1", "total": 26.289, "axes": {"activity": 13.99, "binding": 4.69, "selectivity": 0.0, "admet": 2.85, "novelty": 2.8, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 5.75, "LE": 0.281, "potency_term": 0.25, "efficiency_cap": 0.938}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.25}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.221, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.916, "herg": 0.224, "dili": 0.293}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.4393057675888175, "aff_pf": 0.249801238377889, "aff_hs": 0.06060584386189779, "repeats_pf": {"runs": 3, "values": [0.1866, 0.3713, 0.1914], "mean": 0.2498, "spread": 0.1847}, "repeats_hs": {"runs": 3, "values": [0.1526, 0.096, -0.0667], "mean": 0.0606, "spread": 0.2193}, "at": 1786960964}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959812, "scored_at": 1786960964, "alerts": [], "rank": 4373}, {"candidate_id": "ODC-F050B9", "res_at": 1787277143, "skeleton": "DABZLOZIXKQVFS", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 26.279, "axes": {"activity": 13.61, "binding": 4.81, "selectivity": 0.68, "admet": 2.99, "novelty": 2.64, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 5.72, "LE": 0.314, "potency_term": 0.241, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.142, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.583, "herg": 0.235, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 5.416832515617101, "aff_pf": 0.27831973135471344, "aff_hs": 0.5616828997929891, "repeats_pf": {"runs": 3, "values": [0.2473, 0.3474, 0.2403], "mean": 0.2783, "spread": 0.1071}, "repeats_hs": {"runs": 3, "values": [0.5623, 0.5544, 0.5684], "mean": 0.5617, "spread": 0.0139}, "at": 1787277143}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276045, "scored_at": 1787277143, "alerts": [], "rank": 4374}, {"candidate_id": "ODC-B6E312", "res_at": 1787029486, "skeleton": "HJUUVTHHOOUWJC", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········1COC1", "total": 26.263, "axes": {"activity": 15.71, "binding": 3.06, "selectivity": 0.0, "admet": 4.2, "novelty": 1.67, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 5.58, "LE": 0.239, "potency_term": 0.192, "efficiency_cap": 0.796}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.192}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.44, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.645, "cyp2c9-veith": 0.862, "cyp3a4-substrate-carbonmangels": 0.24, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.145}}, "novelty": {"max_tanimoto": 0.681, "novelty": 0.319}, "synthesis": {"sa_score": 3.84}}, "run": {"gpu": "3", "pAct_q10": 5.542843454980927, "aff_pf": 0.4226815700531006, "aff_hs": 0.27553438146909076, "repeats_pf": {"runs": 3, "values": [0.4875, 0.4464, 0.3341], "mean": 0.4227, "spread": 0.1534}, "repeats_hs": {"runs": 3, "values": [0.2197, 0.2451, 0.3619], "mean": 0.2755, "spread": 0.1422}, "at": 1787029486}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029185, "scored_at": 1787029486, "alerts": [], "rank": 4375}, {"candidate_id": "ODC-5A8465", "res_at": 1787382682, "skeleton": "FKIXNJWTZKAJHP", "hf_user": "Ku-ku", "display_name": "Z2_denovo_ether", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 26.262, "axes": {"activity": 16.63, "binding": 1.25, "selectivity": 0.19, "admet": 2.14, "novelty": 3.65, "synthesis": 2.4}, "detail": {"activity": {"pAct_q10": 5.598, "fraction": 0.554}, "binding": {"pIC50": 5.29, "LE": 0.196, "potency_term": 0.096, "efficiency_cap": 0.653}, "selectivity": {"fold": 1.6, "selectivity_term": 0.098, "target_engagement": 0.096}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.054, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.85, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.553, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.597758994819847, "aff_pf": 0.7127501567204794, "aff_hs": 0.9079399506251017, "repeats_pf": {"runs": 3, "values": [0.3799, 0.7583, 1.0001], "mean": 0.7128, "spread": 0.6202}, "repeats_hs": {"runs": 3, "values": [0.9665, 0.9625, 0.7949], "mean": 0.9079, "spread": 0.1716}, "at": 1787382682}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381499, "scored_at": 1787382682, "alerts": [], "rank": 4376}, {"candidate_id": "ODC-754C3E", "res_at": 1786858577, "skeleton": "RHNSXMVTIOWSEO", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········nc2n1", "total": 26.24, "axes": {"activity": 1.26, "binding": 11.29, "selectivity": 3.69, "admet": 3.81, "novelty": 3.7, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 4.252, "fraction": 0.042}, "binding": {"pIC50": 6.69, "LE": 0.399, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.346, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.202, "herg": 0.849, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 4.25176848845027, "aff_pf": -0.6932245294253031, "aff_hs": -0.039886372784773506, "repeats_pf": {"runs": 3, "values": [-0.655, -0.7076, -0.717], "mean": -0.6932, "spread": 0.062}, "repeats_hs": {"runs": 3, "values": [-0.0522, 0.0094, -0.0769], "mean": -0.0399, "spread": 0.0864}, "at": 1786858577}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848326, "scored_at": 1786858577, "alerts": [], "rank": 4377}, {"candidate_id": "ODC-8FBE4A", "res_at": 1788085870, "skeleton": "MPDOODDLCITRGO", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 26.225, "axes": {"activity": 11.55, "binding": 8.58, "selectivity": 1.06, "admet": 1.81, "novelty": 1.92, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 6.33, "LE": 0.289, "potency_term": 0.445, "efficiency_cap": 0.964}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.12, "caco2-wang": 0.332, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.85, "herg": 0.304, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.553, "novelty": 0.447}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "0", "pAct_q10": 5.293029174680014, "aff_pf": -0.3344201147556305, "aff_hs": -0.09656453629334767, "repeats_pf": {"runs": 3, "values": [-0.3455, -0.2968, -0.361], "mean": -0.3344, "spread": 0.0642}, "repeats_hs": {"runs": 3, "values": [0.0569, -0.1466, -0.2], "mean": -0.0966, "spread": 0.257}, "at": 1788085870}, "tier": 1, "alerts": [], "total_sd": 0.407, "total_ci95": [25.493, 26.991], "relegate_reason": [], "submitted_at": 1788078730, "scored_at": 1788085870, "rank": 4378}, {"candidate_id": "ODC-B73F1F", "res_at": 1787261125, "skeleton": "UODCZABCYDHVAB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc12", "total": 26.224, "axes": {"activity": 11.02, "binding": 5.66, "selectivity": 3.38, "admet": 2.05, "novelty": 2.59, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.261, "fraction": 0.367}, "binding": {"pIC50": 6.1, "LE": 0.232, "potency_term": 0.366, "efficiency_cap": 0.774}, "selectivity": {"fold": 8.4, "selectivity_term": 0.461, "target_engagement": 0.366}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.678, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.841, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.261361427992496, "aff_pf": -0.09801950926582019, "aff_hs": 0.8242581884066263, "repeats_pf": {"runs": 3, "values": [-0.124, -0.0167, -0.1534], "mean": -0.098, "spread": 0.1367}, "repeats_hs": {"runs": 3, "values": [0.822, 0.9617, 0.6891], "mean": 0.8243, "spread": 0.2726}, "at": 1787261125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787260019, "scored_at": 1787261125, "alerts": [], "rank": 4379}, {"candidate_id": "ODC-86E234", "res_at": 1788618336, "skeleton": "WHBSMGAXMVASCR", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-20B]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COSc1nc··········)n2n1", "total": 26.212, "axes": {"activity": 14.26, "binding": 3.4, "selectivity": 0.14, "admet": 3.97, "novelty": 2.33, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.475}, "binding": {"pIC50": 5.51, "LE": 0.343, "potency_term": 0.17, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.041, "target_engagement": 0.17}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.5, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.396, "ld50-zhu": 0.256, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.455802807144539, "aff_pf": 0.489901343981425, "aff_hs": 0.5722653468449911, "repeats_pf": {"runs": 3, "values": [0.5604, 0.4479, 0.4614], "mean": 0.4899, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [0.5216, 0.576, 0.6192], "mean": 0.5723, "spread": 0.0977}, "at": 1788618336}, "tier": 1, "alerts": [], "total_sd": 0.245, "total_ci95": [25.822, 26.6], "relegate_reason": [], "submitted_at": 1788588711, "scored_at": 1788618336, "rank": 4380}, {"candidate_id": "ODC-A1C47A", "res_at": 1787569357, "skeleton": "QYKXKSNYKOEPFG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 26.193, "axes": {"activity": 8.83, "binding": 9.23, "selectivity": 0.0, "admet": 3.67, "novelty": 3.51, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 5.13, "fraction": 0.294}, "binding": {"pIC50": 6.38, "LE": 0.302, "potency_term": 0.461, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.461}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.596, "cyp2c9-veith": 0.984, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.836, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 4.56}}, "run": {"gpu": "3", "pAct_q10": 5.1299333075368425, "aff_pf": -0.3844664494196574, "aff_hs": -0.7386742234230042, "repeats_pf": {"runs": 3, "values": [-0.4037, -0.3753, -0.3744], "mean": -0.3845, "spread": 0.0293}, "repeats_hs": {"runs": 3, "values": [-0.5783, -0.8625, -0.7752], "mean": -0.7387, "spread": 0.2842}, "at": 1787569357}, "tier": 1, "relegate_reason": [], "submitted_at": 1787566865, "scored_at": 1787569357, "alerts": [], "rank": 4381}, {"candidate_id": "ODC-2D812A", "res_at": 1790000175, "skeleton": "DMLWBYSTBDJTNB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(COc··········COCC1", "total": 26.171, "axes": {"activity": 14.56, "binding": 3.39, "selectivity": 0.0, "admet": 2.74, "novelty": 3.52, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 5.7, "LE": 0.217, "potency_term": 0.234, "efficiency_cap": 0.723}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.234}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.355, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.473485920756992, "aff_pf": 0.2969462275505066, "aff_hs": 0.1604841947555542, "repeats_pf": {"runs": 3, "values": [0.337, 0.32, 0.2338], "mean": 0.2969, "spread": 0.1032}, "repeats_hs": {"runs": 3, "values": [0.2413, 0.1349, 0.1053], "mean": 0.1605, "spread": 0.136}, "at": 1790000175}, "tier": 1, "alerts": [], "total_sd": 0.144, "total_ci95": [25.956, 26.517], "relegate_reason": [], "submitted_at": 1789993049, "scored_at": 1790000175, "rank": 4382}, {"candidate_id": "ODC-BF7120", "res_at": 1787376283, "skeleton": "DFEBMMUYDOQIGD", "hf_user": "1Dmeds", "display_name": "ODC26-G09", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 26.145, "axes": {"activity": 15.73, "binding": 1.41, "selectivity": 0.49, "admet": 2.33, "novelty": 3.61, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.544, "fraction": 0.524}, "binding": {"pIC50": 5.3, "LE": 0.213, "potency_term": 0.099, "efficiency_cap": 0.712}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.81, "herg": 0.05, "dili": 0.554}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.543590993015512, "aff_pf": 0.7022863427797953, "aff_hs": 1.1914296944936116, "repeats_pf": {"runs": 3, "values": [0.9084, 0.7777, 0.4207], "mean": 0.7023, "spread": 0.4877}, "repeats_hs": {"runs": 3, "values": [1.1753, 1.229, 1.17], "mean": 1.1914, "spread": 0.0589}, "at": 1787376283}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372698, "scored_at": 1787376283, "alerts": [], "rank": 4383}, {"candidate_id": "ODC-22B629", "res_at": 1786879072, "skeleton": "NHFBSDSEPHPRST", "hf_user": "araai", "display_name": "Ara", "model_name": "Ara (OpenAI Codex)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cnc··········C1CC1", "total": 26.137, "axes": {"activity": 9.11, "binding": 8.06, "selectivity": 0.9, "admet": 3.38, "novelty": 2.93, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.147, "fraction": 0.304}, "binding": {"pIC50": 6.21, "LE": 0.354, "potency_term": 0.403, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.112, "target_engagement": 0.403}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.701, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.722, "herg": 0.268, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.146551260665057, "aff_pf": -0.208992009361585, "aff_hs": 0.01425011952718099, "repeats_pf": {"runs": 3, "values": [-0.235, -0.2144, -0.1776], "mean": -0.209, "spread": 0.0574}, "repeats_hs": {"runs": 3, "values": [0.0562, -0.0255, 0.0121], "mean": 0.0143, "spread": 0.0817}, "at": 1786879072}, "tier": 1, "relegate_reason": [], "submitted_at": 1786870610, "scored_at": 1786879072, "alerts": [], "rank": 4384}, {"candidate_id": "ODC-E2A504", "res_at": 1786833266, "skeleton": "FORGZZRRHVMDIC", "hf_user": "rkrkrkekekek", "display_name": "zzzzz", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc2··········)cn12", "total": 26.125, "axes": {"activity": 2.3, "binding": 9.63, "selectivity": 4.61, "admet": 3.75, "novelty": 3.43, "synthesis": 2.41}, "detail": {"activity": {"pAct_q10": 4.495, "fraction": 0.077}, "binding": {"pIC50": 6.44, "LE": 0.465, "potency_term": 0.481, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.1, "selectivity_term": 0.479, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.347, "ld50-zhu": 0.291, "herg": 0.962, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "2", "pAct_q10": 4.494575912073068, "aff_pf": -0.44440509875615436, "aff_hs": 0.5129730900128683, "repeats_pf": {"runs": 3, "values": [-0.4154, -0.4555, -0.4624], "mean": -0.4444, "spread": 0.047}, "repeats_hs": {"runs": 3, "values": [0.4877, 0.5538, 0.4974], "mean": 0.513, "spread": 0.0661}, "at": 1786833266}, "tier": 1, "relegate_reason": [], "submitted_at": 1786801007, "scored_at": 1786833266, "alerts": [], "rank": 4385}, {"candidate_id": "ODC-505C7F", "res_at": 1789492054, "skeleton": "MTVIGYYMCZEGQP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········F)c1F", "total": 26.124, "axes": {"activity": 2.89, "binding": 11.57, "selectivity": 0.34, "admet": 4.3, "novelty": 4.12, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 4.774, "fraction": 0.096}, "binding": {"pIC50": 6.74, "LE": 0.355, "potency_term": 0.579, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.579}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.997, "ld50-zhu": 0.551, "herg": 0.715, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 4.773627794249748, "aff_pf": -0.7361259857813517, "aff_hs": -0.6779747406641642, "repeats_pf": {"runs": 3, "values": [-0.7291, -0.8226, -0.6567], "mean": -0.7361, "spread": 0.1658}, "repeats_hs": {"runs": 3, "values": [-0.7415, -0.5981, -0.6942], "mean": -0.678, "spread": 0.1434}, "at": 1789492054}, "tier": 1, "alerts": [], "total_sd": 0.78, "total_ci95": [24.8, 27.711], "relegate_reason": [], "submitted_at": 1789490734, "scored_at": 1789492054, "rank": 4386}, {"candidate_id": "ODC-E1D4B7", "res_at": 1787013161, "skeleton": "NZYJRGVBJHSZFR", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 26.08, "axes": {"activity": 14.93, "binding": 3.62, "selectivity": 0.27, "admet": 1.93, "novelty": 2.85, "synthesis": 2.49}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 5.69, "LE": 0.236, "potency_term": 0.23, "efficiency_cap": 0.787}, "selectivity": {"fold": 1.3, "selectivity_term": 0.058, "target_engagement": 0.23}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 0.083, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.722, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "3", "pAct_q10": 5.495597204453628, "aff_pf": 0.3111165314912796, "aff_hs": 0.4277478555838267, "repeats_pf": {"runs": 3, "values": [0.4516, 0.1712, 0.3105], "mean": 0.3111, "spread": 0.2804}, "repeats_hs": {"runs": 3, "values": [0.3903, 0.3667, 0.5263], "mean": 0.4277, "spread": 0.1595}, "at": 1787013161}, "tier": 1, "relegate_reason": [], "submitted_at": 1787012602, "scored_at": 1787013161, "alerts": [], "rank": 4387}, {"candidate_id": "ODC-E2F420", "res_at": 1787351423, "skeleton": "RHOWMFCPHBAKRT", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCNC··········CCCC1", "total": 26.074, "axes": {"activity": 14.61, "binding": 4.35, "selectivity": 0.0, "admet": 2.14, "novelty": 3.31, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 5.81, "LE": 0.241, "potency_term": 0.27, "efficiency_cap": 0.804}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.485, "hia-hou": 1.0, "bioavailability-ma": 0.947, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.72, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.191, "herg": 0.05, "dili": 0.611}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.476619335977676, "aff_pf": 0.18855930864810944, "aff_hs": 0.16907673080762228, "repeats_pf": {"runs": 3, "values": [-0.4052, 0.2135, 0.7574], "mean": 0.1886, "spread": 1.1626}, "repeats_hs": {"runs": 3, "values": [0.5641, -0.347, 0.2902], "mean": 0.1691, "spread": 0.9111}, "at": 1787351423}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347707, "scored_at": 1787351423, "alerts": [], "rank": 4388}, {"candidate_id": "ODC-017A4E", "res_at": 1786896144, "skeleton": "HADTZXKTJGZCPG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)c1Cl", "total": 26.073, "axes": {"activity": 8.25, "binding": 7.79, "selectivity": 3.03, "admet": 2.62, "novelty": 2.78, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.095, "fraction": 0.275}, "binding": {"pIC50": 6.17, "LE": 0.338, "potency_term": 0.39, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.388, "target_engagement": 0.39}, "admet": {"geometric_mean": 0.448, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.903, "ld50-zhu": 0.523, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.094798956497326, "aff_pf": -0.1687417502204577, "aff_hs": 0.6080254912376404, "repeats_pf": {"runs": 3, "values": [-0.2745, -0.2959, 0.0642], "mean": -0.1687, "spread": 0.3601}, "repeats_hs": {"runs": 3, "values": [0.6431, 0.6151, 0.5659], "mean": 0.608, "spread": 0.0772}, "at": 1786896144}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881273, "scored_at": 1786896144, "alerts": [], "rank": 4389}, {"candidate_id": "ODC-16CEB8", "res_at": 1789955804, "skeleton": "BISZPZJKRTTYBH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 26.066, "axes": {"activity": 16.14, "binding": 0.42, "selectivity": 0.0, "admet": 3.66, "novelty": 4.02, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.569, "fraction": 0.538}, "binding": {"pIC50": 5.1, "LE": 0.189, "potency_term": 0.033, "efficiency_cap": 0.629}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.637, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.877, "cyp2c9-veith": 0.89, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.822, "herg": 0.05, "dili": 0.18}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "2", "pAct_q10": 5.568572110777424, "aff_pf": 0.9006746411323547, "aff_hs": 0.6094600955645243, "repeats_pf": {"runs": 3, "values": [0.8624, 0.8998, 0.9399], "mean": 0.9007, "spread": 0.0775}, "repeats_hs": {"runs": 3, "values": [0.4843, 0.6435, 0.7005], "mean": 0.6095, "spread": 0.2162}, "at": 1789955804}, "tier": 1, "alerts": [], "total_sd": 0.075, "total_ci95": [25.956, 26.231], "relegate_reason": [], "submitted_at": 1789863646, "scored_at": 1789955804, "rank": 4390}, {"candidate_id": "ODC-5610B1", "res_at": 1787372132, "skeleton": "KVLIYFPWLZDRCG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N1C··········)(F)F", "total": 26.008, "axes": {"activity": 12.26, "binding": 5.9, "selectivity": 0.0, "admet": 3.47, "novelty": 2.93, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 5.92, "LE": 0.29, "potency_term": 0.306, "efficiency_cap": 0.965}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.306}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 0.87, "pgp-broccatelli": 0.978, "cyp2c9-veith": 0.831, "cyp3a4-substrate-carbonmangels": 0.083, "ld50-zhu": 0.967, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.335530168105934, "aff_pf": 0.08309123913447063, "aff_hs": 0.08413547029097874, "repeats_pf": {"runs": 3, "values": [0.0741, 0.0733, 0.1019], "mean": 0.0831, "spread": 0.0286}, "repeats_hs": {"runs": 3, "values": [0.0964, 0.0653, 0.0907], "mean": 0.0841, "spread": 0.0311}, "at": 1787372132}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365096, "scored_at": 1787372132, "alerts": [], "rank": 4391}, {"candidate_id": "ODC-A7534C", "res_at": 1788796293, "skeleton": "STKSYDONPFBXJI", "hf_user": "Bio-JS", "display_name": "0907-S1-19", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 26.005, "axes": {"activity": 13.95, "binding": 3.61, "selectivity": 1.55, "admet": 2.42, "novelty": 2.18, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 5.59, "LE": 0.274, "potency_term": 0.198, "efficiency_cap": 0.912}, "selectivity": {"fold": 6.1, "selectivity_term": 0.391, "target_engagement": 0.198}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.761, "ld50-zhu": 0.562, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.532, "novelty": 0.468}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 5.436906397159568, "aff_pf": 0.406222403049469, "aff_hs": 1.1890915632247925, "repeats_pf": {"runs": 3, "values": [0.4758, 0.363, 0.3799], "mean": 0.4062, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [1.1798, 1.1523, 1.2352], "mean": 1.1891, "spread": 0.0829}, "at": 1788796293}, "tier": 1, "alerts": [], "total_sd": 0.314, "total_ci95": [25.518, 26.522], "relegate_reason": [], "submitted_at": 1788707746, "scored_at": 1788796293, "rank": 4392}, {"candidate_id": "ODC-F2EE58", "res_at": 1788331424, "skeleton": "OFFQKBLBURVLNP", "hf_user": "Bio-JS", "display_name": "0902-말단SO2메틸", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········)n2n1", "total": 25.977, "axes": {"activity": 15.05, "binding": 3.55, "selectivity": 0.0, "admet": 2.11, "novelty": 3.22, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.503, "fraction": 0.502}, "binding": {"pIC50": 5.7, "LE": 0.23, "potency_term": 0.232, "efficiency_cap": 0.765}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.232}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.298, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.502985281378059, "aff_pf": 0.30436526735623676, "aff_hs": 0.033224051197369896, "repeats_pf": {"runs": 3, "values": [0.0581, 0.4093, 0.4457], "mean": 0.3044, "spread": 0.3876}, "repeats_hs": {"runs": 3, "values": [0.1153, 0.0553, -0.0709], "mean": 0.0332, "spread": 0.1861}, "at": 1788331424}, "tier": 1, "alerts": [], "total_sd": 0.554, "total_ci95": [25.186, 26.732], "relegate_reason": [], "submitted_at": 1788327384, "scored_at": 1788331424, "rank": 4393}, {"candidate_id": "ODC-35694A", "res_at": 1788793240, "skeleton": "COTIHKPJOVFXQU", "hf_user": "Bio-JS", "display_name": "0907-S1-14", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)cc1", "total": 25.968, "axes": {"activity": 6.09, "binding": 8.62, "selectivity": 4.64, "admet": 2.21, "novelty": 2.32, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 4.965, "fraction": 0.203}, "binding": {"pIC50": 6.3, "LE": 0.298, "potency_term": 0.434, "efficiency_cap": 0.992}, "selectivity": {"fold": 11.7, "selectivity_term": 0.534, "target_engagement": 0.434}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.392, "caco2-wang": 0.482, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.543, "herg": 0.065, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 4.965125497874283, "aff_pf": -0.3023926665385564, "aff_hs": 0.7665748596191406, "repeats_pf": {"runs": 3, "values": [-0.3352, -0.3517, -0.2203], "mean": -0.3024, "spread": 0.1314}, "repeats_hs": {"runs": 3, "values": [0.5944, 0.9501, 0.7552], "mean": 0.7666, "spread": 0.3557}, "at": 1788793240}, "tier": 1, "alerts": [], "total_sd": 0.795, "total_ci95": [24.516, 27.349], "relegate_reason": [], "submitted_at": 1788707719, "scored_at": 1788793240, "rank": 4394}, {"candidate_id": "ODC-E47E15", "res_at": 1787372319, "skeleton": "KEZHXRRHNNAFTC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)C(··········2)CC1", "total": 25.963, "axes": {"activity": 14.01, "binding": 3.23, "selectivity": 0.11, "admet": 3.92, "novelty": 3.36, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.441, "fraction": 0.467}, "binding": {"pIC50": 5.54, "LE": 0.271, "potency_term": 0.179, "efficiency_cap": 0.903}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.179}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.867, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.862, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "3", "pAct_q10": 5.440741320981911, "aff_pf": 0.46338226397832233, "aff_hs": 0.5223556359608968, "repeats_pf": {"runs": 3, "values": [0.4776, 0.4363, 0.4762], "mean": 0.4634, "spread": 0.0412}, "repeats_hs": {"runs": 3, "values": [0.5412, 0.5506, 0.4752], "mean": 0.5224, "spread": 0.0754}, "at": 1787372319}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365112, "scored_at": 1787372319, "alerts": [], "rank": 4395}, {"candidate_id": "ODC-FEFB7E", "res_at": 1786871423, "skeleton": "YQMFQQNEANTROC", "hf_user": "DOATC", "display_name": "SOL_RETAKE_01", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 25.963, "axes": {"activity": 9.28, "binding": 8.15, "selectivity": 2.56, "admet": 2.55, "novelty": 1.43, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.157, "fraction": 0.309}, "binding": {"pIC50": 6.22, "LE": 0.371, "potency_term": 0.407, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.315, "target_engagement": 0.407}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.232, "ld50-zhu": 0.497, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.156824166502445, "aff_pf": -0.22240844865640005, "aff_hs": 0.40671658515930176, "repeats_pf": {"runs": 3, "values": [-0.2322, -0.2675, -0.1675], "mean": -0.2224, "spread": 0.1}, "repeats_hs": {"runs": 3, "values": [0.4251, 0.3715, 0.4236], "mean": 0.4067, "spread": 0.0536}, "at": 1786871423}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865919, "scored_at": 1786871423, "alerts": [], "rank": 4396}, {"candidate_id": "ODC-647ED2", "res_at": 1788095395, "skeleton": "AWXWHKAITHVCEX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ncc··········c2)n1", "total": 25.957, "axes": {"activity": 8.36, "binding": 8.8, "selectivity": 0.0, "admet": 3.53, "novelty": 3.06, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.102, "fraction": 0.279}, "binding": {"pIC50": 6.32, "LE": 0.412, "potency_term": 0.44, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.992, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.52, "ld50-zhu": 0.494, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.101855629640159, "aff_pf": -0.32024013499418896, "aff_hs": -0.43472787737846375, "repeats_pf": {"runs": 3, "values": [-0.3913, -0.2277, -0.3417], "mean": -0.3202, "spread": 0.1635}, "repeats_hs": {"runs": 3, "values": [-0.4231, -0.3984, -0.4827], "mean": -0.4347, "spread": 0.0843}, "at": 1788095395}, "tier": 1, "alerts": [], "total_sd": 0.55, "total_ci95": [24.724, 26.904], "relegate_reason": [], "submitted_at": 1788081386, "scored_at": 1788095395, "rank": 4397}, {"candidate_id": "ODC-264D9F", "res_at": 1786867836, "skeleton": "IHXCDODWLMSBTI", "hf_user": "DOATC", "display_name": "SOL_AGG70_CN_COREHOP", "model_name": "오픈AI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 25.914, "axes": {"activity": 2.77, "binding": 10.93, "selectivity": 3.07, "admet": 3.51, "novelty": 3.35, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 4.766, "fraction": 0.092}, "binding": {"pIC50": 6.64, "LE": 0.413, "potency_term": 0.546, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.281, "target_engagement": 0.546}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.283, "herg": 0.562, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 4.766286502662802, "aff_pf": -0.6394121050834656, "aff_hs": -0.07823137938976288, "repeats_pf": {"runs": 3, "values": [-0.579, -0.6964, -0.6428], "mean": -0.6394, "spread": 0.1174}, "repeats_hs": {"runs": 3, "values": [-0.0754, -0.0292, -0.13], "mean": -0.0782, "spread": 0.1008}, "at": 1786867836}, "tier": 1, "relegate_reason": [], "submitted_at": 1786862195, "scored_at": 1786867836, "alerts": [], "rank": 4398}, {"candidate_id": "ODC-329326", "res_at": 1786889228, "skeleton": "AOKXCNGRNWXXRE", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA-openai", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 25.903, "axes": {"activity": 10.64, "binding": 9.11, "selectivity": 0.12, "admet": 2.36, "novelty": 1.85, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.238, "fraction": 0.355}, "binding": {"pIC50": 6.4, "LE": 0.292, "potency_term": 0.467, "efficiency_cap": 0.974}, "selectivity": {"fold": 1.1, "selectivity_term": 0.013, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.85, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.593, "novelty": 0.407}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.238254078160346, "aff_pf": -0.40180044372876483, "aff_hs": -0.3753812909126282, "repeats_pf": {"runs": 3, "values": [-0.2306, -0.4888, -0.4861], "mean": -0.4018, "spread": 0.2582}, "repeats_hs": {"runs": 3, "values": [-0.4699, -0.4299, -0.2264], "mean": -0.3754, "spread": 0.2435}, "at": 1786889228}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880451, "scored_at": 1786889228, "alerts": [], "rank": 4399}, {"candidate_id": "ODC-C10717", "res_at": 1787265891, "skeleton": "KNZGNONZDVGYQY", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 25.899, "axes": {"activity": 16.77, "binding": 0.72, "selectivity": 0.0, "admet": 2.62, "novelty": 3.16, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.606, "fraction": 0.559}, "binding": {"pIC50": 4.79, "LE": 0.182, "potency_term": 0.06, "efficiency_cap": 0.608}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.419, "ld50-zhu": 0.8, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.605937874720526, "aff_pf": 1.2069897651672363, "aff_hs": 0.5634967684745789, "repeats_pf": {"runs": 3, "values": [1.0706, 1.2665, 1.2839], "mean": 1.207, "spread": 0.2133}, "repeats_hs": {"runs": 3, "values": [0.5419, 0.6045, 0.544], "mean": 0.5635, "spread": 0.0626}, "at": 1787265891}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264780, "scored_at": 1787265891, "alerts": [], "rank": 4400}, {"candidate_id": "ODC-DB1C2E", "res_at": 1787372694, "skeleton": "DVRKEJCSGSDTAX", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N1C··········)(F)F", "total": 25.892, "axes": {"activity": 10.72, "binding": 7.38, "selectivity": 0.56, "admet": 3.18, "novelty": 2.71, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.243, "fraction": 0.357}, "binding": {"pIC50": 6.11, "LE": 0.299, "potency_term": 0.37, "efficiency_cap": 0.997}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.845, "cyp2c9-veith": 0.889, "cyp3a4-substrate-carbonmangels": 0.086, "ld50-zhu": 0.931, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 5.242973155203947, "aff_pf": -0.11106640845537186, "aff_hs": 0.03931805491447449, "repeats_pf": {"runs": 3, "values": [-0.1132, -0.1182, -0.1018], "mean": -0.1111, "spread": 0.0163}, "repeats_hs": {"runs": 3, "values": [0.045, 0.0313, 0.0417], "mean": 0.0393, "spread": 0.0136}, "at": 1787372694}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365148, "scored_at": 1787372694, "alerts": [], "rank": 4401}, {"candidate_id": "ODC-29AA50", "res_at": 1789195055, "skeleton": "ZEHMMVSTUPVXDZ", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_COC_5Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 25.891, "axes": {"activity": 9.05, "binding": 8.49, "selectivity": 1.8, "admet": 2.64, "novelty": 2.02, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 6.27, "LE": 0.358, "potency_term": 0.425, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.425}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.632, "cyp2c9-veith": 0.299, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.404, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.142832843866758, "aff_pf": -0.2738018383582433, "aff_hs": 0.15065407752990723, "repeats_pf": {"runs": 3, "values": [-0.2314, -0.1792, -0.4108], "mean": -0.2738, "spread": 0.2316}, "repeats_hs": {"runs": 3, "values": [0.0921, 0.2051, 0.1548], "mean": 0.1507, "spread": 0.113}, "at": 1789195055}, "tier": 1, "alerts": [], "total_sd": 1.103, "total_ci95": [24.412, 28.426], "relegate_reason": [], "submitted_at": 1789177465, "scored_at": 1789195055, "rank": 4402}, {"candidate_id": "ODC-D5F647", "res_at": 1788086300, "skeleton": "YKBICNPZZZQDSX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········C(F)F", "total": 25.89, "axes": {"activity": 14.61, "binding": 4.84, "selectivity": 0.95, "admet": 2.52, "novelty": 1.55, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 5.84, "LE": 0.258, "potency_term": 0.281, "efficiency_cap": 0.861}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.258, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.981, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.789, "herg": 0.158, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.681, "novelty": 0.319}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "0", "pAct_q10": 5.476529976059071, "aff_pf": 0.1565882737437884, "aff_hs": 0.4935474495093028, "repeats_pf": {"runs": 3, "values": [0.1676, 0.1789, 0.1232], "mean": 0.1566, "spread": 0.0557}, "repeats_hs": {"runs": 3, "values": [0.4394, 0.6062, 0.435], "mean": 0.4935, "spread": 0.1712}, "at": 1788086300}, "tier": 1, "alerts": [], "total_sd": 0.191, "total_ci95": [25.539, 26.249], "relegate_reason": [], "submitted_at": 1788078757, "scored_at": 1788086300, "rank": 4403}, {"candidate_id": "ODC-709BE9", "res_at": 1789546136, "skeleton": "OJCIRWACBORQLI", "hf_user": "Bio-JS", "display_name": "0916-S1-div07", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 25.889, "axes": {"activity": 9.98, "binding": 6.55, "selectivity": 3.11, "admet": 2.92, "novelty": 2.15, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.199, "fraction": 0.333}, "binding": {"pIC50": 5.98, "LE": 0.373, "potency_term": 0.328, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.475, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.634, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.673, "cyp3a4-substrate-carbonmangels": 0.252, "ld50-zhu": 0.379, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "0", "pAct_q10": 5.198504827405912, "aff_pf": 0.017490758871038754, "aff_hs": 0.9680554072062174, "repeats_pf": {"runs": 3, "values": [0.0523, 0.0305, -0.0303], "mean": 0.0175, "spread": 0.0825}, "repeats_hs": {"runs": 3, "values": [0.8415, 0.8837, 1.179], "mean": 0.9681, "spread": 0.3374}, "at": 1789546136}, "tier": 1, "alerts": [], "total_sd": 0.375, "total_ci95": [25.217, 26.71], "relegate_reason": [], "submitted_at": 1789526755, "scored_at": 1789546136, "rank": 4404}, {"candidate_id": "ODC-285B3A", "res_at": 1788861345, "skeleton": "OYRXUUXKLIMSCJ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-24", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 25.888, "axes": {"activity": 5.33, "binding": 9.2, "selectivity": 2.8, "admet": 3.45, "novelty": 2.86, "synthesis": 2.25}, "detail": {"activity": {"pAct_q10": 4.92, "fraction": 0.178}, "binding": {"pIC50": 6.38, "LE": 0.38, "potency_term": 0.46, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.963, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.394, "herg": 0.973, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 4.919860312080258, "aff_pf": -0.38001301884651184, "aff_hs": 0.22846890489260355, "repeats_pf": {"runs": 3, "values": [-0.3462, -0.3353, -0.4586], "mean": -0.38, "spread": 0.1233}, "repeats_hs": {"runs": 3, "values": [0.2912, 0.1539, 0.2403], "mean": 0.2285, "spread": 0.1374}, "at": 1788861345}, "tier": 1, "alerts": [], "total_sd": 0.663, "total_ci95": [24.829, 27.358], "relegate_reason": [], "submitted_at": 1788856613, "scored_at": 1788861345, "rank": 4405}, {"candidate_id": "ODC-05ACC6", "res_at": 1787623799, "skeleton": "JYUGPOHUNUIFAO", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········)(F)F", "total": 25.884, "axes": {"activity": 9.9, "binding": 9.48, "selectivity": 0.0, "admet": 2.36, "novelty": 2.25, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.194, "fraction": 0.33}, "binding": {"pIC50": 6.45, "LE": 0.294, "potency_term": 0.483, "efficiency_cap": 0.982}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.483}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.979, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.347, "ld50-zhu": 0.648, "herg": 0.062, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.193770619244464, "aff_pf": -0.448561559120814, "aff_hs": -0.9748754103978475, "repeats_pf": {"runs": 3, "values": [-0.441, -0.4424, -0.4623], "mean": -0.4486, "spread": 0.0213}, "repeats_hs": {"runs": 3, "values": [-0.9385, -1.01, -0.9761], "mean": -0.9749, "spread": 0.0715}, "at": 1787623799}, "tier": 1, "relegate_reason": [], "submitted_at": 1787620973, "scored_at": 1787623799, "alerts": [], "rank": 4406}, {"candidate_id": "ODC-B0F39E", "res_at": 1789039020, "skeleton": "DMKFEILINJRPBJ", "hf_user": "1Dmeds", "display_name": "ODC26-CHEMBL6150748", "model_name": "1Dmeds", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 25.876, "axes": {"activity": 10.76, "binding": 8.59, "selectivity": 0.0, "admet": 3.73, "novelty": 1.27, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.246, "fraction": 0.359}, "binding": {"pIC50": 6.29, "LE": 0.319, "potency_term": 0.43, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.43}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.625, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.737, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.866, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.705, "novelty": 0.295}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 5.245719538968322, "aff_pf": -0.28904375433921814, "aff_hs": -0.5311155915260315, "repeats_pf": {"runs": 3, "values": [-0.3414, -0.3259, -0.1998], "mean": -0.289, "spread": 0.1416}, "repeats_hs": {"runs": 3, "values": [-0.5595, -0.5251, -0.5087], "mean": -0.5311, "spread": 0.0508}, "at": 1789039020}, "tier": 1, "alerts": [], "total_sd": 0.453, "total_ci95": [24.83, 26.49], "relegate_reason": [], "submitted_at": 1789036640, "scored_at": 1789039020, "rank": 4407}, {"candidate_id": "ODC-D43AB9", "res_at": 1789230132, "skeleton": "KYSDSGDYRJDCME", "hf_user": "Bio-JS", "display_name": "0913-S1-div06", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 25.866, "axes": {"activity": 11.86, "binding": 5.36, "selectivity": 1.67, "admet": 2.79, "novelty": 2.31, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.395}, "binding": {"pIC50": 5.8, "LE": 0.346, "potency_term": 0.268, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.483, "cyp3a4-substrate-carbonmangels": 0.428, "ld50-zhu": 0.257, "herg": 0.312, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "0", "pAct_q10": 5.311698280240606, "aff_pf": 0.1960995296637217, "aff_hs": 0.8192115823427836, "repeats_pf": {"runs": 3, "values": [0.1633, 0.175, 0.25], "mean": 0.1961, "spread": 0.0867}, "repeats_hs": {"runs": 3, "values": [0.8702, 0.816, 0.7714], "mean": 0.8192, "spread": 0.0989}, "at": 1789230132}, "tier": 1, "alerts": [], "total_sd": 0.264, "total_ci95": [25.26, 26.294], "relegate_reason": [], "submitted_at": 1789226295, "scored_at": 1789230132, "rank": 4408}, {"candidate_id": "ODC-DB6471", "res_at": 1788801115, "skeleton": "AZMSWECCDPXXFK", "hf_user": "Bio-JS", "display_name": "0907-S1-27", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCN(··········2)CC1", "total": 25.862, "axes": {"activity": 15.08, "binding": 2.82, "selectivity": 0.0, "admet": 2.9, "novelty": 2.54, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.505, "fraction": 0.503}, "binding": {"pIC50": 5.58, "LE": 0.218, "potency_term": 0.194, "efficiency_cap": 0.728}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.194}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.939, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.238}}, "novelty": {"max_tanimoto": 0.494, "novelty": 0.506}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 5.504739809640986, "aff_pf": 0.4182376166184743, "aff_hs": 0.3749380161364873, "repeats_pf": {"runs": 3, "values": [0.3998, 0.563, 0.2919], "mean": 0.4182, "spread": 0.271}, "repeats_hs": {"runs": 3, "values": [0.5515, 0.1246, 0.4487], "mean": 0.3749, "spread": 0.427}, "at": 1788801115}, "tier": 1, "alerts": [], "total_sd": 0.369, "total_ci95": [25.104, 26.553], "relegate_reason": [], "submitted_at": 1788707798, "scored_at": 1788801115, "rank": 4409}, {"candidate_id": "ODC-D3B0A9", "res_at": 1788779129, "skeleton": "IDDPOGKWQLSTBK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(I··········cc1Cl", "total": 25.858, "axes": {"activity": 12.52, "binding": 4.35, "selectivity": 0.79, "admet": 3.28, "novelty": 2.89, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 5.65, "LE": 0.352, "potency_term": 0.218, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.356, "cyp2c9-veith": 0.456, "cyp3a4-substrate-carbonmangels": 0.834, "ld50-zhu": 0.247, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.351112014324972, "aff_pf": 0.34682004650433856, "aff_hs": 0.710906187693278, "repeats_pf": {"runs": 3, "values": [0.342, 0.3501, 0.3484], "mean": 0.3468, "spread": 0.0081}, "repeats_hs": {"runs": 3, "values": [0.7304, 0.6956, 0.7067], "mean": 0.7109, "spread": 0.0348}, "at": 1788779129}, "tier": 1, "alerts": [], "total_sd": 0.028, "total_ci95": [25.806, 25.922], "relegate_reason": [], "submitted_at": 1788666123, "scored_at": 1788779129, "rank": 4410}, {"candidate_id": "ODC-08D1C3", "res_at": 1787649932, "skeleton": "SYLSJPZJYRNPFL", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 25.843, "axes": {"activity": 11.64, "binding": 6.4, "selectivity": 2.15, "admet": 3.04, "novelty": 1.07, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.298, "fraction": 0.388}, "binding": {"pIC50": 5.96, "LE": 0.327, "potency_term": 0.32, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.32}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.555, "caco2-wang": 0.695, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.841, "cyp2c9-veith": 0.962, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.802}}, "novelty": {"max_tanimoto": 0.724, "novelty": 0.276}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.2981296222786005, "aff_pf": 0.04040320714314779, "aff_hs": 0.7114257017771403, "repeats_pf": {"runs": 3, "values": [0.0047, 0.0782, 0.0383], "mean": 0.0404, "spread": 0.0735}, "repeats_hs": {"runs": 3, "values": [0.723, 0.5958, 0.8155], "mean": 0.7114, "spread": 0.2197}, "at": 1787649932}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643674, "scored_at": 1787649932, "alerts": [], "rank": 4411}, {"candidate_id": "ODC-7DBA4F", "res_at": 1787895292, "skeleton": "PNUCPIHFWHLLPU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-30", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C)CC1", "total": 25.823, "axes": {"activity": 11.58, "binding": 7.78, "selectivity": 0.0, "admet": 2.16, "novelty": 2.85, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 6.37, "LE": 0.256, "potency_term": 0.455, "efficiency_cap": 0.855}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.455}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.646, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.295033292033637, "aff_pf": -0.36552960673968, "aff_hs": -0.8597967624664307, "repeats_pf": {"runs": 3, "values": [-0.1483, -0.5312, -0.4171], "mean": -0.3655, "spread": 0.3829}, "repeats_hs": {"runs": 3, "values": [-0.9046, -0.8016, -0.8732], "mean": -0.8598, "spread": 0.1029}, "at": 1787895292}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841511, "scored_at": 1787895292, "alerts": [], "rank": 4412}, {"candidate_id": "ODC-1A42D7", "res_at": 1787166688, "skeleton": "DFICKDRTOWVLLO", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 25.811, "axes": {"activity": 13.55, "binding": 4.37, "selectivity": 0.0, "admet": 2.68, "novelty": 3.04, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.413, "fraction": 0.452}, "binding": {"pIC50": 5.88, "LE": 0.224, "potency_term": 0.293, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.293}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.194, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.961, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.413006697494034, "aff_pf": 0.12019684910774231, "aff_hs": -0.2467856208483378, "repeats_pf": {"runs": 3, "values": [0.146, 0.2149, -0.0003], "mean": 0.1202, "spread": 0.2152}, "repeats_hs": {"runs": 3, "values": [-0.3968, -0.2095, -0.1341], "mean": -0.2468, "spread": 0.2627}, "at": 1787166688}, "tier": 1, "relegate_reason": [], "submitted_at": 1787159561, "scored_at": 1787166688, "alerts": [], "rank": 4413}, {"candidate_id": "ODC-0E1F87", "res_at": 1786862173, "skeleton": "PPRLXOGFSGUFDF", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G1-PyCF3", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 25.807, "axes": {"activity": 12.56, "binding": 5.0, "selectivity": 0.75, "admet": 3.52, "novelty": 2.13, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.354, "fraction": 0.419}, "binding": {"pIC50": 5.75, "LE": 0.342, "potency_term": 0.25, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.15, "target_engagement": 0.25}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.484, "ld50-zhu": 0.594, "herg": 0.6, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 5.353779664495581, "aff_pf": 0.25056904554367065, "aff_hs": 0.5502719481786092, "repeats_pf": {"runs": 3, "values": [0.2576, 0.2038, 0.2903], "mean": 0.2506, "spread": 0.0865}, "repeats_hs": {"runs": 3, "values": [0.4883, 0.474, 0.6885], "mean": 0.5503, "spread": 0.2145}, "at": 1786862173}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854091, "scored_at": 1786862173, "alerts": [], "rank": 4414}, {"candidate_id": "ODC-40A7A1", "res_at": 1787378434, "skeleton": "JJJZXQLBJQUBFL", "hf_user": "1Dmeds", "display_name": "ODC26-G20", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 25.805, "axes": {"activity": 16.45, "binding": 0.38, "selectivity": 0.0, "admet": 2.6, "novelty": 3.93, "synthesis": 2.45}, "detail": {"activity": {"pAct_q10": 5.587, "fraction": 0.548}, "binding": {"pIC50": 4.53, "LE": 0.188, "potency_term": 0.031, "efficiency_cap": 0.626}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.529, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.833, "herg": 0.067, "dili": 0.536}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.586828579235804, "aff_pf": 1.4748084545135498, "aff_hs": 1.4773438771565754, "repeats_pf": {"runs": 3, "values": [1.4324, 1.5007, 1.4914], "mean": 1.4748, "spread": 0.0683}, "repeats_hs": {"runs": 3, "values": [1.546, 1.6421, 1.2439], "mean": 1.4773, "spread": 0.3982}, "at": 1787378434}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372780, "scored_at": 1787378434, "alerts": [], "rank": 4415}, {"candidate_id": "ODC-D671CD", "res_at": 1787278108, "skeleton": "SXQVCVWRSWJMDN", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 25.795, "axes": {"activity": 13.37, "binding": 4.56, "selectivity": 0.32, "admet": 3.41, "novelty": 2.57, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.402, "fraction": 0.446}, "binding": {"pIC50": 5.68, "LE": 0.311, "potency_term": 0.228, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.07, "target_engagement": 0.228}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.529, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.529, "herg": 0.509, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.402427083318065, "aff_pf": 0.31628816326459247, "aff_hs": 0.4555659592151642, "repeats_pf": {"runs": 3, "values": [0.3459, 0.299, 0.3039], "mean": 0.3163, "spread": 0.0469}, "repeats_hs": {"runs": 3, "values": [0.4481, 0.5397, 0.3789], "mean": 0.4556, "spread": 0.1608}, "at": 1787278108}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276083, "scored_at": 1787278108, "alerts": [], "rank": 4416}, {"candidate_id": "ODC-28E5DC", "res_at": 1787626631, "skeleton": "FYWJFJBKCSYTOD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cc··········)nn12", "total": 25.79, "axes": {"activity": 13.54, "binding": 5.23, "selectivity": 0.0, "admet": 2.45, "novelty": 2.76, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.412, "fraction": 0.451}, "binding": {"pIC50": 5.8, "LE": 0.294, "potency_term": 0.267, "efficiency_cap": 0.981}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.267}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.365, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.487, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.412448952644708, "aff_pf": 0.19966605305671692, "aff_hs": -0.4184568226337433, "repeats_pf": {"runs": 3, "values": [0.1476, 0.3087, 0.1428], "mean": 0.1997, "spread": 0.1659}, "repeats_hs": {"runs": 3, "values": [-0.3753, -0.3962, -0.4838], "mean": -0.4185, "spread": 0.1085}, "at": 1787626631}, "tier": 1, "relegate_reason": [], "submitted_at": 1787621113, "scored_at": 1787626631, "alerts": [], "rank": 4417}, {"candidate_id": "ODC-96F8FC", "res_at": 1790002193, "skeleton": "NQCWYZNGQCEPRN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Sc··········)n2n1", "total": 25.763, "axes": {"activity": 15.91, "binding": 0.85, "selectivity": 0.0, "admet": 2.95, "novelty": 3.85, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.53}, "binding": {"pIC50": 5.18, "LE": 0.215, "potency_term": 0.06, "efficiency_cap": 0.717}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.06}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.137, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.727, "herg": 0.306, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.554766718964233, "aff_pf": 0.821257750193278, "aff_hs": 0.4245611329873403, "repeats_pf": {"runs": 3, "values": [0.8191, 0.7164, 0.9283], "mean": 0.8213, "spread": 0.212}, "repeats_hs": {"runs": 3, "values": [0.2588, 0.6029, 0.412], "mean": 0.4246, "spread": 0.344}, "at": 1790002193}, "tier": 1, "alerts": [], "total_sd": 0.233, "total_ci95": [25.419, 26.117], "relegate_reason": [], "submitted_at": 1789993272, "scored_at": 1790002193, "rank": 4418}, {"candidate_id": "ODC-4C0057", "res_at": 1787320979, "skeleton": "OSSNKBPUUZBNAQ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1cc(Br)c(C(=O)NC2CCC2)s1", "smiles_masked": null, "total": 25.743, "axes": {"activity": 12.19, "binding": 8.36, "selectivity": 0.0, "admet": 1.9, "novelty": 1.42, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 6.25, "LE": 0.343, "potency_term": 0.418, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.27, "caco2-wang": 0.555, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.501}}, "novelty": {"max_tanimoto": 0.662, "novelty": 0.338}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.331126255802609, "aff_pf": -0.254721537232399, "aff_hs": -1.119429071744283, "repeats_pf": {"runs": 3, "values": [-0.2336, -0.3024, -0.2282], "mean": -0.2547, "spread": 0.0743}, "repeats_hs": {"runs": 3, "values": [-1.1416, -1.132, -1.0847], "mean": -1.1194, "spread": 0.0569}, "at": 1787320979}, "tier": 1, "relegate_reason": [], "submitted_at": 1787319647, "scored_at": 1787320979, "alerts": [], "rank": 4419}, {"candidate_id": "ODC-8629B3", "res_at": 1787576212, "skeleton": "GAGMLTAQRPRRKQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 25.735, "axes": {"activity": 10.94, "binding": 6.51, "selectivity": 2.04, "admet": 2.92, "novelty": 1.66, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.365}, "binding": {"pIC50": 5.98, "LE": 0.356, "potency_term": 0.326, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.314, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.974, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.676, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.531, "herg": 0.856, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.256483902397466, "aff_pf": 0.022905748337507248, "aff_hs": 0.650284210840861, "repeats_pf": {"runs": 3, "values": [-0.0412, 0.0412, 0.0688], "mean": 0.0229, "spread": 0.11}, "repeats_hs": {"runs": 3, "values": [0.544, 0.7271, 0.6798], "mean": 0.6503, "spread": 0.1832}, "at": 1787576212}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575030, "scored_at": 1787576212, "alerts": [], "rank": 4420}, {"candidate_id": "ODC-0F5BCB", "res_at": 1786846379, "skeleton": "UDBAKOQUTGTXDR", "hf_user": "ALEX32321", "display_name": "ALEXAI-Final8-V3-BrOMe", "model_name": "OpenCrab-ALEXAI final-8 benchmark v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 25.729, "axes": {"activity": 12.21, "binding": 5.79, "selectivity": 0.56, "admet": 3.34, "novelty": 2.0, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.333, "fraction": 0.407}, "binding": {"pIC50": 5.87, "LE": 0.365, "potency_term": 0.289, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.096, "target_engagement": 0.289}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.503, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.81, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.506, "herg": 0.16, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.332534287780437, "aff_pf": 0.13197292387485504, "aff_hs": 0.324626882870992, "repeats_pf": {"runs": 3, "values": [0.1419, 0.1065, 0.1475], "mean": 0.132, "spread": 0.041}, "repeats_hs": {"runs": 3, "values": [0.3269, 0.3028, 0.3442], "mean": 0.3246, "spread": 0.0415}, "at": 1786846379}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837554, "scored_at": 1786846379, "alerts": [], "rank": 4421}, {"candidate_id": "ODC-E9EA0A", "res_at": 1786851845, "skeleton": "XDKOQBICNHAMKL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(Br)c(F)c2)n2nc(CO)nc2n1", "smiles_masked": null, "total": 25.707, "axes": {"activity": 10.95, "binding": 5.26, "selectivity": 3.35, "admet": 2.7, "novelty": 1.69, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.257, "fraction": 0.365}, "binding": {"pIC50": 5.79, "LE": 0.378, "potency_term": 0.263, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.9, "selectivity_term": 0.638, "target_engagement": 0.263}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.615, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.845, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.316, "herg": 0.329, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.537, "novelty": 0.463}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.25722284766613, "aff_pf": 0.2116390516360601, "aff_hs": 1.487996260325114, "repeats_pf": {"runs": 3, "values": [0.1342, 0.2554, 0.2453], "mean": 0.2116, "spread": 0.1212}, "repeats_hs": {"runs": 3, "values": [1.4872, 1.5548, 1.4219], "mean": 1.488, "spread": 0.1329}, "at": 1786851845}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847513, "scored_at": 1786851845, "alerts": [], "rank": 4422}, {"candidate_id": "ODC-8F599B", "res_at": 1787193825, "skeleton": "TUHKLYPDXWKYIG", "hf_user": "Ku-ku", "display_name": "MZ3_ethynyl_NMe2core", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 25.694, "axes": {"activity": 9.32, "binding": 7.27, "selectivity": 2.8, "admet": 2.89, "novelty": 1.92, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.159, "fraction": 0.311}, "binding": {"pIC50": 6.09, "LE": 0.379, "potency_term": 0.364, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.364}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.574, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.792, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.401, "herg": 0.517, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.159481089709308, "aff_pf": -0.09086534380912781, "aff_hs": 0.6791081031163534, "repeats_pf": {"runs": 3, "values": [-0.0338, -0.0254, -0.2135], "mean": -0.0909, "spread": 0.1881}, "repeats_hs": {"runs": 3, "values": [0.6542, 0.6808, 0.7024], "mean": 0.6791, "spread": 0.0482}, "at": 1787193825}, "tier": 1, "relegate_reason": [], "submitted_at": 1787190314, "scored_at": 1787193825, "alerts": [], "rank": 4423}, {"candidate_id": "ODC-B1F351", "res_at": 1787277905, "skeleton": "IDLJDHINKMDVJK", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 25.693, "axes": {"activity": 14.69, "binding": 3.32, "selectivity": 0.09, "admet": 3.07, "novelty": 2.82, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.49}, "binding": {"pIC50": 5.55, "LE": 0.272, "potency_term": 0.183, "efficiency_cap": 0.905}, "selectivity": {"fold": 1.1, "selectivity_term": 0.025, "target_engagement": 0.183}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.243, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.11}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.4811073067203, "aff_pf": 0.4500897427399953, "aff_hs": 0.49930651982625324, "repeats_pf": {"runs": 3, "values": [0.4888, 0.4742, 0.3872], "mean": 0.4501, "spread": 0.1016}, "repeats_hs": {"runs": 3, "values": [0.4758, 0.6003, 0.4219], "mean": 0.4993, "spread": 0.1784}, "at": 1787277905}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276074, "scored_at": 1787277905, "alerts": [], "rank": 4424}, {"candidate_id": "ODC-2BD798", "res_at": 1788860928, "skeleton": "ANNCEDQYDDZZLE", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-23", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 25.679, "axes": {"activity": 5.76, "binding": 9.68, "selectivity": 2.0, "admet": 3.12, "novelty": 2.69, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 4.946, "fraction": 0.192}, "binding": {"pIC50": 6.45, "LE": 0.368, "potency_term": 0.484, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.206, "target_engagement": 0.484}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.144, "caco2-wang": 0.945, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.712, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.593, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "0", "pAct_q10": 4.945760984098288, "aff_pf": -0.4525662859280904, "aff_hs": -0.03981664031744003, "repeats_pf": {"runs": 3, "values": [-0.4589, -0.4178, -0.481], "mean": -0.4526, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [0.0335, -0.1658, 0.0128], "mean": -0.0398, "spread": 0.1992}, "at": 1788860928}, "tier": 1, "alerts": [], "total_sd": 0.38, "total_ci95": [24.821, 26.397], "relegate_reason": [], "submitted_at": 1788856578, "scored_at": 1788860928, "rank": 4425}, {"candidate_id": "ODC-1A474D", "res_at": 1787078080, "skeleton": "YUVJOSHZEUPKED", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc2n1", "total": 25.659, "axes": {"activity": 12.52, "binding": 6.99, "selectivity": 0.13, "admet": 1.37, "novelty": 3.08, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.351, "fraction": 0.417}, "binding": {"pIC50": 6.4, "LE": 0.225, "potency_term": 0.467, "efficiency_cap": 0.749}, "selectivity": {"fold": 1.1, "selectivity_term": 0.014, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.22, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.481, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.371, "herg": 0.05, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.351151882697187, "aff_pf": -0.3996248046557109, "aff_hs": -0.3716075619061788, "repeats_pf": {"runs": 3, "values": [-0.2508, -0.4889, -0.4591], "mean": -0.3996, "spread": 0.2381}, "repeats_hs": {"runs": 3, "values": [-0.5502, -0.4133, -0.1513], "mean": -0.3716, "spread": 0.3989}, "at": 1787078080}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066939, "scored_at": 1787078080, "alerts": [], "rank": 4426}, {"candidate_id": "ODC-859E1A", "res_at": 1788909152, "skeleton": "CQCNPFTZBVPWRN", "hf_user": "Bio-JS", "display_name": "0909-S1-27", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 25.657, "axes": {"activity": 8.42, "binding": 7.62, "selectivity": 3.4, "admet": 2.83, "novelty": 1.78, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.105, "fraction": 0.281}, "binding": {"pIC50": 6.14, "LE": 0.337, "potency_term": 0.381, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.381}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.302, "herg": 0.881, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.1052350934982895, "aff_pf": -0.14324921121199927, "aff_hs": 0.7492368419965109, "repeats_pf": {"runs": 3, "values": [-0.1477, -0.1903, -0.0917], "mean": -0.1432, "spread": 0.0985}, "repeats_hs": {"runs": 3, "values": [0.6874, 0.8249, 0.7353], "mean": 0.7492, "spread": 0.1375}, "at": 1788909152}, "tier": 1, "alerts": [], "total_sd": 0.454, "total_ci95": [24.75, 26.578], "relegate_reason": [], "submitted_at": 1788902877, "scored_at": 1788909152, "rank": 4427}, {"candidate_id": "ODC-CD1625", "res_at": 1789564019, "skeleton": "RWJMQMZCAIUWCQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········F)c1C", "total": 25.649, "axes": {"activity": 7.31, "binding": 8.83, "selectivity": 2.42, "admet": 3.03, "novelty": 2.87, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.039, "fraction": 0.244}, "binding": {"pIC50": 6.44, "LE": 0.276, "potency_term": 0.481, "efficiency_cap": 0.919}, "selectivity": {"fold": 3.2, "selectivity_term": 0.252, "target_engagement": 0.481}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.305, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.907, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 4.12}}, "run": {"gpu": "0", "pAct_q10": 5.0388034578196885, "aff_pf": -0.44159125288327533, "aff_hs": 0.062114657213290535, "repeats_pf": {"runs": 3, "values": [-0.4232, -0.4797, -0.4218], "mean": -0.4416, "spread": 0.0579}, "repeats_hs": {"runs": 3, "values": [0.0762, 0.0656, 0.0445], "mean": 0.0621, "spread": 0.0317}, "at": 1789564019}, "tier": 1, "alerts": [], "total_sd": 0.315, "total_ci95": [25.231, 26.418], "relegate_reason": [], "submitted_at": 1789563094, "scored_at": 1789564019, "rank": 4428}, {"candidate_id": "ODC-77EDA6", "res_at": 1787369797, "skeleton": "AJKHACDJNKLDRM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCOc··········3)cn1", "total": 25.641, "axes": {"activity": 13.17, "binding": 3.99, "selectivity": 0.0, "admet": 3.67, "novelty": 3.24, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.39, "fraction": 0.439}, "binding": {"pIC50": 5.67, "LE": 0.268, "potency_term": 0.223, "efficiency_cap": 0.893}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.615, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.484, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.789, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 5.390032123644644, "aff_pf": 0.32985400160153705, "aff_hs": 0.1919646660486857, "repeats_pf": {"runs": 3, "values": [0.3285, 0.2651, 0.3959], "mean": 0.3299, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [0.1653, 0.1303, 0.2802], "mean": 0.192, "spread": 0.1499}, "at": 1787369797}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364863, "scored_at": 1787369797, "alerts": [], "rank": 4429}, {"candidate_id": "ODC-8EA6FA", "res_at": 1787176915, "skeleton": "LIIXXGHZOXJPMU", "hf_user": "1Dmeds", "display_name": "ODC26-FN-28", "model_name": "Claude Opus 5 series sentinel", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 25.599, "axes": {"activity": 12.65, "binding": 4.9, "selectivity": 1.39, "admet": 1.67, "novelty": 3.0, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 5.92, "LE": 0.239, "potency_term": 0.308, "efficiency_cap": 0.796}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.308}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.819, "herg": 0.05, "dili": 0.31}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.359250054943412, "aff_pf": 0.07676508029301961, "aff_hs": 0.52928759654363, "repeats_pf": {"runs": 3, "values": [0.4842, -0.1639, -0.09], "mean": 0.0768, "spread": 0.6481}, "repeats_hs": {"runs": 3, "values": [0.6564, 0.5556, 0.3758], "mean": 0.5293, "spread": 0.2806}, "at": 1787176915}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171856, "scored_at": 1787176915, "alerts": [], "rank": 4430}, {"candidate_id": "ODC-3C875C", "res_at": 1790025198, "skeleton": "BVSHWLYGOPCYSA", "hf_user": "Dinesh4311", "display_name": "Dinesh4311", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 25.598, "axes": {"activity": 15.44, "binding": 2.46, "selectivity": 0.0, "admet": 1.92, "novelty": 3.43, "synthesis": 2.35}, "detail": {"activity": {"pAct_q10": 5.526, "fraction": 0.515}, "binding": {"pIC50": 5.5, "LE": 0.222, "potency_term": 0.167, "efficiency_cap": 0.739}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.167}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.436, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.844, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.526176478186588, "aff_pf": 0.5000922481218973, "aff_hs": 0.0498059888680776, "repeats_pf": {"runs": 3, "values": [0.5198, 0.5392, 0.4412], "mean": 0.5001, "spread": 0.098}, "repeats_hs": {"runs": 3, "values": [-0.1277, 0.0774, 0.1997], "mean": 0.0498, "spread": 0.3275}, "at": 1790025198}, "tier": 1, "alerts": [], "total_sd": 0.131, "total_ci95": [25.389, 25.917], "relegate_reason": [], "submitted_at": 1790013473, "scored_at": 1790025198, "rank": 4431}, {"candidate_id": "ODC-15863D", "res_at": 1787350998, "skeleton": "VMEDDCCZRCWBSK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 25.572, "axes": {"activity": 15.96, "binding": 0.98, "selectivity": 0.0, "admet": 2.4, "novelty": 3.57, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.557, "fraction": 0.532}, "binding": {"pIC50": 5.2, "LE": 0.216, "potency_term": 0.068, "efficiency_cap": 0.72}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.068}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 0.842, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.84, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.464, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.08}}, "run": {"gpu": "3", "pAct_q10": 5.557444482888382, "aff_pf": 0.7954224745432535, "aff_hs": 0.26803897817929584, "repeats_pf": {"runs": 3, "values": [0.7423, 0.8116, 0.8323], "mean": 0.7954, "spread": 0.09}, "repeats_hs": {"runs": 3, "values": [0.0208, 0.2362, 0.5472], "mean": 0.268, "spread": 0.5264}, "at": 1787350998}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347694, "scored_at": 1787350998, "alerts": [], "rank": 4432}, {"candidate_id": "ODC-8DA562", "res_at": 1786969168, "skeleton": "YSUHRXPCZGALQF", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1c(C··········l)c1F", "total": 25.527, "axes": {"activity": 5.26, "binding": 11.85, "selectivity": 0.0, "admet": 3.7, "novelty": 2.65, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 4.916, "fraction": 0.175}, "binding": {"pIC50": 6.78, "LE": 0.357, "potency_term": 0.592, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.592}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.522, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.191, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 4.9157428852768, "aff_pf": -0.7769449353218079, "aff_hs": -1.6957220633824666, "repeats_pf": {"runs": 3, "values": [-0.7713, -0.784, -0.7756], "mean": -0.7769, "spread": 0.0127}, "repeats_hs": {"runs": 3, "values": [-1.7325, -1.6578, -1.6968], "mean": -1.6957, "spread": 0.0747}, "at": 1786969168}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968478, "scored_at": 1786969168, "alerts": [], "rank": 4433}, {"candidate_id": "ODC-897EAD", "res_at": 1789963471, "skeleton": "QVYDFCJMVUDMPO", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 25.522, "axes": {"activity": 16.67, "binding": 0.87, "selectivity": 0.09, "admet": 2.86, "novelty": 2.25, "synthesis": 2.78}, "detail": {"activity": {"pAct_q10": 5.6, "fraction": 0.556}, "binding": {"pIC50": 5.18, "LE": 0.215, "potency_term": 0.061, "efficiency_cap": 0.717}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.55, "ld50-zhu": 0.445, "herg": 0.05, "dili": 0.287}}, "novelty": {"max_tanimoto": 0.594, "novelty": 0.406}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "2", "pAct_q10": 5.6001132703413345, "aff_pf": 0.8174156149228414, "aff_hs": 0.9690106709798177, "repeats_pf": {"runs": 3, "values": [0.8732, 0.8152, 0.7638], "mean": 0.8174, "spread": 0.1094}, "repeats_hs": {"runs": 3, "values": [0.9962, 0.9683, 0.9426], "mean": 0.969, "spread": 0.0536}, "at": 1789963471}, "tier": 1, "alerts": [], "total_sd": 0.161, "total_ci95": [25.201, 25.859], "relegate_reason": [], "submitted_at": 1789907431, "scored_at": 1789963471, "rank": 4434}, {"candidate_id": "ODC-5539E1", "res_at": 1789404477, "skeleton": "LKZUDWJDOOZRLB", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········n2)n1", "total": 25.519, "axes": {"activity": 12.3, "binding": 4.76, "selectivity": 1.5, "admet": 3.27, "novelty": 2.42, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 5.78, "LE": 0.273, "potency_term": 0.261, "efficiency_cap": 0.911}, "selectivity": {"fold": 3.7, "selectivity_term": 0.287, "target_engagement": 0.261}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.943, "cyp2c9-veith": 0.527, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 5.337808227564453, "aff_pf": 0.21604098876317343, "aff_hs": 0.7898205320040385, "repeats_pf": {"runs": 3, "values": [0.1847, 0.2044, 0.259], "mean": 0.216, "spread": 0.0743}, "repeats_hs": {"runs": 3, "values": [0.7788, 0.7873, 0.8033], "mean": 0.7898, "spread": 0.0245}, "at": 1789404477}, "tier": 1, "alerts": [], "total_sd": 0.213, "total_ci95": [25.037, 25.889], "relegate_reason": [], "submitted_at": 1789403415, "scored_at": 1789404477, "rank": 4435}, {"candidate_id": "ODC-DF741D", "res_at": 1788810349, "skeleton": "KWEHVTLPFIUGRN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········2)cn1", "total": 25.507, "axes": {"activity": 11.7, "binding": 5.31, "selectivity": 3.17, "admet": 2.31, "novelty": 1.71, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 5.81, "LE": 0.295, "potency_term": 0.27, "efficiency_cap": 0.983}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.558, "caco2-wang": 0.174, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.589, "herg": 0.49, "dili": 0.936}}, "novelty": {"max_tanimoto": 0.562, "novelty": 0.438}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 5.302210412724468, "aff_pf": 0.18970765670140585, "aff_hs": 1.3629266023635864, "repeats_pf": {"runs": 3, "values": [0.2641, 0.1501, 0.1549], "mean": 0.1897, "spread": 0.114}, "repeats_hs": {"runs": 3, "values": [1.418, 1.3195, 1.3513], "mean": 1.3629, "spread": 0.0985}, "at": 1788810349}, "tier": 1, "alerts": [], "total_sd": 0.445, "total_ci95": [24.511, 26.135], "relegate_reason": [], "submitted_at": 1788737688, "scored_at": 1788810349, "rank": 4436}, {"candidate_id": "ODC-FC3833", "res_at": 1786799519, "skeleton": "LOQXLPYKLUZANN", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········nc2n1", "total": 25.497, "axes": {"activity": 7.26, "binding": 8.8, "selectivity": 2.66, "admet": 2.71, "novelty": 2.06, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.036, "fraction": 0.242}, "binding": {"pIC50": 6.32, "LE": 0.346, "potency_term": 0.44, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.196, "herg": 0.247, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.531, "novelty": 0.469}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.035885111837347, "aff_pf": -0.3207075297832489, "aff_hs": 0.28354524075984955, "repeats_pf": {"runs": 3, "values": [-0.3404, -0.3361, -0.2856], "mean": -0.3207, "spread": 0.0549}, "repeats_hs": {"runs": 3, "values": [0.1613, 0.348, 0.3414], "mean": 0.2835, "spread": 0.1867}, "at": 1786799519}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785128, "scored_at": 1786799519, "alerts": [], "rank": 4437}, {"candidate_id": "ODC-93760D", "res_at": 1787353195, "skeleton": "CVLWVDFXLANQHL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCN··········CCCC1", "total": 25.489, "axes": {"activity": 15.76, "binding": 1.74, "selectivity": 0.0, "admet": 2.54, "novelty": 3.55, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 5.41, "LE": 0.19, "potency_term": 0.138, "efficiency_cap": 0.634}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.581, "herg": 0.05, "dili": 0.64}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.545455902928214, "aff_pf": 0.5874138275782267, "aff_hs": 0.3394710421562195, "repeats_pf": {"runs": 3, "values": [0.6712, 0.5469, 0.5442], "mean": 0.5874, "spread": 0.1269}, "repeats_hs": {"runs": 3, "values": [0.5503, 0.2646, 0.2035], "mean": 0.3395, "spread": 0.3468}, "at": 1787353195}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347774, "scored_at": 1787353195, "alerts": [], "rank": 4438}, {"candidate_id": "ODC-A2A936", "res_at": 1786869655, "skeleton": "VGJFZERQHOZWCD", "hf_user": "datarchive", "display_name": "datarchive", "model_name": "anthropic/claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 25.485, "axes": {"activity": 7.98, "binding": 8.81, "selectivity": 2.1, "admet": 3.67, "novelty": 1.08, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.079, "fraction": 0.266}, "binding": {"pIC50": 6.32, "LE": 0.346, "potency_term": 0.44, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.239, "target_engagement": 0.44}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.994, "cyp3a4-substrate-carbonmangels": 0.304, "ld50-zhu": 0.393, "herg": 0.531, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.755, "novelty": 0.245}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.078728836086362, "aff_pf": -0.321283757686615, "aff_hs": 0.15591748555501303, "repeats_pf": {"runs": 3, "values": [-0.3782, -0.3315, -0.2541], "mean": -0.3213, "spread": 0.124}, "repeats_hs": {"runs": 3, "values": [0.1763, 0.1529, 0.1386], "mean": 0.1559, "spread": 0.0377}, "at": 1786869655}, "tier": 1, "relegate_reason": [], "submitted_at": 1786862013, "scored_at": 1786869655, "alerts": [], "rank": 4439}, {"candidate_id": "ODC-F16B80", "res_at": 1789964937, "skeleton": "RACQJGQTIXMMPZ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)c2n1", "total": 25.484, "axes": {"activity": 14.11, "binding": 3.8, "selectivity": 0.92, "admet": 1.46, "novelty": 3.07, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.47}, "binding": {"pIC50": 5.76, "LE": 0.225, "potency_term": 0.253, "efficiency_cap": 0.751}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.253}, "admet": {"geometric_mean": 0.207, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.562, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.446581821206421, "aff_pf": 0.24198634922504425, "aff_hs": 0.6062293549378713, "repeats_pf": {"runs": 3, "values": [0.061, 0.5102, 0.1548], "mean": 0.242, "spread": 0.4493}, "repeats_hs": {"runs": 3, "values": [0.7532, 0.1652, 0.9004], "mean": 0.6062, "spread": 0.7352}, "at": 1789964937}, "tier": 1, "alerts": [], "total_sd": 1.065, "total_ci95": [23.583, 27.58], "relegate_reason": [], "submitted_at": 1789910869, "scored_at": 1789964937, "rank": 4440}, {"candidate_id": "ODC-E168DC", "res_at": 1787894590, "skeleton": "XJRKVDRTVNIASV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-17", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 25.47, "axes": {"activity": 11.68, "binding": 7.71, "selectivity": 0.0, "admet": 1.87, "novelty": 2.81, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.389}, "binding": {"pIC50": 6.35, "LE": 0.256, "potency_term": 0.452, "efficiency_cap": 0.854}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.277, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 5.300861838107564, "aff_pf": -0.3547384738922119, "aff_hs": -0.5168724457422892, "repeats_pf": {"runs": 3, "values": [-0.4067, -0.3223, -0.3352], "mean": -0.3547, "spread": 0.0844}, "repeats_hs": {"runs": 3, "values": [-0.5177, -0.5106, -0.5223], "mean": -0.5169, "spread": 0.0117}, "at": 1787894590}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841282, "scored_at": 1787894590, "alerts": [], "rank": 4441}, {"candidate_id": "ODC-2C40CC", "res_at": 1787217254, "skeleton": "HJWRISSZJNEENB", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1=C(C··········=O)N1", "total": 25.465, "axes": {"activity": 12.16, "binding": 6.56, "selectivity": 0.56, "admet": 1.58, "novelty": 2.98, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.405}, "binding": {"pIC50": 5.98, "LE": 0.304, "potency_term": 0.328, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.085, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.064, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.494, "herg": 0.05, "dili": 0.266}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.329528334072163, "aff_pf": 0.015614011324942112, "aff_hs": 0.18480081856250763, "repeats_pf": {"runs": 3, "values": [-0.0109, 0.0327, 0.025], "mean": 0.0156, "spread": 0.0435}, "repeats_hs": {"runs": 3, "values": [0.2369, 0.2461, 0.0714], "mean": 0.1848, "spread": 0.1747}, "at": 1787217254}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217047, "scored_at": 1787217254, "alerts": [], "rank": 4442}, {"candidate_id": "ODC-DEB20E", "res_at": 1787224359, "skeleton": "VGOUCUCCGUXEMQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 25.45, "axes": {"activity": 8.45, "binding": 10.8, "selectivity": 0.0, "admet": 2.97, "novelty": 0.76, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.107, "fraction": 0.282}, "binding": {"pIC50": 6.62, "LE": 0.336, "potency_term": 0.54, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.54}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.86, "novelty": 0.14}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.106884778938911, "aff_pf": -0.6196825305620829, "aff_hs": -1.2722835938135784, "repeats_pf": {"runs": 3, "values": [-0.6889, -0.5314, -0.6388], "mean": -0.6197, "spread": 0.1575}, "repeats_hs": {"runs": 3, "values": [-1.2638, -1.2719, -1.2811], "mean": -1.2723, "spread": 0.0173}, "at": 1787224359}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220805, "scored_at": 1787224359, "alerts": [], "rank": 4443}, {"candidate_id": "ODC-A76ABF", "res_at": 1787330176, "skeleton": "ZQIZGKYCJKVYFH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········ccc12", "total": 25.442, "axes": {"activity": 9.44, "binding": 6.78, "selectivity": 3.79, "admet": 2.1, "novelty": 1.64, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.315}, "binding": {"pIC50": 6.02, "LE": 0.33, "potency_term": 0.339, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.1, "selectivity_term": 0.559, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.944, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.718, "ld50-zhu": 0.445, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.09}}, "run": {"gpu": "3", "pAct_q10": 5.166388219074997, "aff_pf": -0.01723345120747884, "aff_hs": 1.1005489826202393, "repeats_pf": {"runs": 3, "values": [-0.1346, 0.0621, 0.0208], "mean": -0.0172, "spread": 0.1966}, "repeats_hs": {"runs": 3, "values": [1.079, 1.0661, 1.1566], "mean": 1.1005, "spread": 0.0905}, "at": 1787330176}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328895, "scored_at": 1787330176, "alerts": [], "rank": 4444}, {"candidate_id": "ODC-437E2F", "res_at": 1787052617, "skeleton": "SILBXLKLLMKUDT", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Clc1cc(··········nc2n1", "total": 25.439, "axes": {"activity": 12.27, "binding": 5.27, "selectivity": 2.07, "admet": 1.29, "novelty": 2.99, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 6.01, "LE": 0.235, "potency_term": 0.336, "efficiency_cap": 0.784}, "selectivity": {"fold": 4.1, "selectivity_term": 0.308, "target_engagement": 0.336}, "admet": {"geometric_mean": 0.211, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.281, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.101, "ld50-zhu": 0.386, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "2", "pAct_q10": 5.336089912724174, "aff_pf": -0.008395065863927206, "aff_hs": 0.6083093881607056, "repeats_pf": {"runs": 3, "values": [-0.1623, 0.2328, -0.0957], "mean": -0.0084, "spread": 0.3951}, "repeats_hs": {"runs": 3, "values": [0.525, 0.6148, 0.6851], "mean": 0.6083, "spread": 0.16}, "at": 1787052617}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052106, "scored_at": 1787052617, "alerts": [], "rank": 4445}, {"candidate_id": "ODC-D8B6F6", "res_at": 1787697834, "skeleton": "NZTCHZMITQPFFK", "hf_user": "Bio-JS", "display_name": "팔 사다리: 4-(메틸설포닐)페닐 (9, −5)", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 25.437, "axes": {"activity": 12.76, "binding": 4.6, "selectivity": 2.06, "admet": 1.54, "novelty": 2.59, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.425}, "binding": {"pIC50": 5.83, "LE": 0.25, "potency_term": 0.277, "efficiency_cap": 0.832}, "selectivity": {"fold": 5.5, "selectivity_term": 0.372, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.412, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.392, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.365775988918002, "aff_pf": 0.1701949735482534, "aff_hs": 0.9140275120735168, "repeats_pf": {"runs": 3, "values": [0.2462, 0.155, 0.1094], "mean": 0.1702, "spread": 0.1368}, "repeats_hs": {"runs": 3, "values": [0.9105, 0.924, 0.9076], "mean": 0.914, "spread": 0.0163}, "at": 1787697834}, "tier": 1, "relegate_reason": [], "submitted_at": 1787696912, "scored_at": 1787697834, "alerts": [], "rank": 4446}, {"candidate_id": "ODC-C22B4D", "res_at": 1789522721, "skeleton": "AYOMPBLZPFBQQQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 25.437, "axes": {"activity": 10.98, "binding": 7.52, "selectivity": 0.97, "admet": 2.84, "novelty": 2.1, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 5.259, "fraction": 0.366}, "binding": {"pIC50": 6.2, "LE": 0.283, "potency_term": 0.398, "efficiency_cap": 0.943}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.914, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "0", "pAct_q10": 5.258748645274023, "aff_pf": -0.19536595543225607, "aff_hs": 0.04768963158130646, "repeats_pf": {"runs": 3, "values": [-0.2443, -0.2386, -0.1032], "mean": -0.1954, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [0.1211, 0.0313, -0.0093], "mean": 0.0477, "spread": 0.1304}, "at": 1789522721}, "tier": 1, "alerts": [], "total_sd": 0.683, "total_ci95": [24.075, 26.487], "relegate_reason": [], "submitted_at": 1789522246, "scored_at": 1789522721, "rank": 4447}, {"candidate_id": "ODC-9DE5E7", "res_at": 1789555983, "skeleton": "FHKFQBYZRQJTHJ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 25.436, "axes": {"activity": 11.19, "binding": 7.31, "selectivity": 1.01, "admet": 2.67, "novelty": 2.23, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 6.2, "LE": 0.274, "potency_term": 0.4, "efficiency_cap": 0.913}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.4}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.598, "cyp2c9-veith": 0.226, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.887, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "0", "pAct_q10": 5.271375746033012, "aff_pf": -0.20089127123355865, "aff_hs": 0.05129933853944143, "repeats_pf": {"runs": 3, "values": [-0.222, -0.2305, -0.1502], "mean": -0.2009, "spread": 0.0803}, "repeats_hs": {"runs": 3, "values": [0.1305, 0.0961, -0.0727], "mean": 0.0513, "spread": 0.2031}, "at": 1789555983}, "tier": 1, "alerts": [], "total_sd": 0.325, "total_ci95": [24.85, 26.032], "relegate_reason": [], "submitted_at": 1789529708, "scored_at": 1789555983, "rank": 4448}, {"candidate_id": "ODC-135310", "res_at": 1787471301, "skeleton": "WDNCGYIFBOVKGE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········C2)n1", "total": 25.428, "axes": {"activity": 5.27, "binding": 9.8, "selectivity": 1.4, "admet": 3.46, "novelty": 3.32, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 4.916, "fraction": 0.176}, "binding": {"pIC50": 6.47, "LE": 0.355, "potency_term": 0.49, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.143, "target_engagement": 0.49}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.707, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.924, "ld50-zhu": 0.375, "herg": 0.06, "dili": 0.182}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.916349789502323, "aff_pf": -0.469456950823466, "aff_hs": -0.18393854051828384, "repeats_pf": {"runs": 3, "values": [-0.5127, -0.4647, -0.431], "mean": -0.4695, "spread": 0.0817}, "repeats_hs": {"runs": 3, "values": [-0.2506, -0.2178, -0.0834], "mean": -0.1839, "spread": 0.1671}, "at": 1787471301}, "tier": 1, "relegate_reason": [], "submitted_at": 1787470920, "scored_at": 1787471301, "alerts": [], "rank": 4449}, {"candidate_id": "ODC-64507C", "res_at": 1786956519, "skeleton": "JLCNAVNBAYGEPC", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 25.423, "axes": {"activity": 11.8, "binding": 6.62, "selectivity": 2.0, "admet": 1.75, "novelty": 1.36, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 5.99, "LE": 0.304, "potency_term": 0.331, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.331}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.3, "cyp2c9-veith": 0.322, "cyp3a4-substrate-carbonmangels": 0.205, "ld50-zhu": 0.501, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "2", "pAct_q10": 5.307840241503493, "aff_pf": 0.007314840952555339, "aff_hs": 0.6117994983990988, "repeats_pf": {"runs": 3, "values": [-0.1169, 0.0776, 0.0612], "mean": 0.0073, "spread": 0.1945}, "repeats_hs": {"runs": 3, "values": [0.6647, 0.507, 0.6638], "mean": 0.6118, "spread": 0.1577}, "at": 1786956519}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956338, "scored_at": 1786956519, "alerts": [], "rank": 4450}, {"candidate_id": "ODC-F9040A", "res_at": 1790001996, "skeleton": "GFQXDNSQJHEGMN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 25.395, "axes": {"activity": 14.43, "binding": 2.33, "selectivity": 0.96, "admet": 2.22, "novelty": 3.4, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 5.466, "fraction": 0.481}, "binding": {"pIC50": 5.5, "LE": 0.209, "potency_term": 0.167, "efficiency_cap": 0.698}, "selectivity": {"fold": 3.7, "selectivity_term": 0.287, "target_engagement": 0.167}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.276, "ld50-zhu": 0.777, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.46586438350594, "aff_pf": 0.49926356474558514, "aff_hs": 1.072268803914388, "repeats_pf": {"runs": 3, "values": [0.3202, 0.5606, 0.617], "mean": 0.4993, "spread": 0.2969}, "repeats_hs": {"runs": 3, "values": [1.1355, 1.101, 0.9803], "mean": 1.0723, "spread": 0.1552}, "at": 1790001996}, "tier": 1, "alerts": [], "total_sd": 0.663, "total_ci95": [24.434, 26.988], "relegate_reason": [], "submitted_at": 1789993265, "scored_at": 1790001996, "rank": 4451}, {"candidate_id": "ODC-B8C557", "res_at": 1787019430, "skeleton": "LAYOEFFTXQECDW", "hf_user": "araai", "display_name": "araai", "model_name": "Ara-알파", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCC··········)CCC1", "total": 25.372, "axes": {"activity": 15.14, "binding": 2.37, "selectivity": 0.13, "admet": 2.46, "novelty": 3.27, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.509, "fraction": 0.505}, "binding": {"pIC50": 5.49, "LE": 0.215, "potency_term": 0.165, "efficiency_cap": 0.717}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.165}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 0.989, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.909, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.508573795634956, "aff_pf": 0.5050450166066488, "aff_hs": 0.5859156250953674, "repeats_pf": {"runs": 3, "values": [0.48, 0.6038, 0.4313], "mean": 0.505, "spread": 0.1725}, "repeats_hs": {"runs": 3, "values": [0.51, 0.49, 0.7577], "mean": 0.5859, "spread": 0.2677}, "at": 1787019430}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019240, "scored_at": 1787019430, "alerts": [], "rank": 4452}, {"candidate_id": "ODC-7E278B", "res_at": 1787052306, "skeleton": "UAKSHAAXXHLQJK", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········cc2n1", "total": 25.346, "axes": {"activity": 15.63, "binding": 2.43, "selectivity": 0.0, "admet": 1.49, "novelty": 3.77, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.538, "fraction": 0.521}, "binding": {"pIC50": 5.52, "LE": 0.21, "potency_term": 0.174, "efficiency_cap": 0.7}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.174}, "admet": {"geometric_mean": 0.19, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.38, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.538015058022034, "aff_pf": 0.47870562473932904, "aff_hs": -0.5327567259470621, "repeats_pf": {"runs": 3, "values": [0.3964, 0.5291, 0.5106], "mean": 0.4787, "spread": 0.1327}, "repeats_hs": {"runs": 3, "values": [-0.556, -0.5437, -0.4986], "mean": -0.5328, "spread": 0.0574}, "at": 1787052306}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052064, "scored_at": 1787052306, "alerts": [], "rank": 4453}, {"candidate_id": "ODC-4975D3", "res_at": 1789545501, "skeleton": "IEXQYIDYXYJSJY", "hf_user": "Bio-JS", "display_name": "0916-S1-div06", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Cl", "total": 25.345, "axes": {"activity": 11.7, "binding": 6.27, "selectivity": 1.21, "admet": 2.04, "novelty": 2.41, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 5.94, "LE": 0.326, "potency_term": 0.313, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.313}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.301957900561452, "aff_pf": 0.05983426421880722, "aff_hs": 0.44714727997779846, "repeats_pf": {"runs": 3, "values": [0.1751, -0.1102, 0.1146], "mean": 0.0598, "spread": 0.2853}, "repeats_hs": {"runs": 3, "values": [0.5169, 0.4918, 0.3327], "mean": 0.4471, "spread": 0.1842}, "at": 1789545501}, "tier": 1, "alerts": [], "total_sd": 0.763, "total_ci95": [24.147, 27.131], "relegate_reason": [], "submitted_at": 1789526748, "scored_at": 1789545501, "rank": 4454}, {"candidate_id": "ODC-51AA07", "res_at": 1789405327, "skeleton": "BKTXRFOGGXNVBD", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 25.344, "axes": {"activity": 5.26, "binding": 8.99, "selectivity": 3.8, "admet": 3.13, "novelty": 2.77, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 4.915, "fraction": 0.175}, "binding": {"pIC50": 6.35, "LE": 0.3, "potency_term": 0.45, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.422, "target_engagement": 0.45}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.35, "cyp2c9-veith": 0.273, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.887, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 4.915419295952449, "aff_pf": -0.3487212061882019, "aff_hs": 0.49561718106269836, "repeats_pf": {"runs": 3, "values": [-0.4731, -0.2929, -0.2801], "mean": -0.3487, "spread": 0.193}, "repeats_hs": {"runs": 3, "values": [0.5235, 0.4963, 0.467], "mean": 0.4956, "spread": 0.0565}, "at": 1789405327}, "tier": 1, "alerts": [], "total_sd": 1.039, "total_ci95": [23.823, 27.764], "relegate_reason": [], "submitted_at": 1789403488, "scored_at": 1789405327, "rank": 4455}, {"candidate_id": "ODC-E7C118", "res_at": 1787377472, "skeleton": "XFVCRCXZJASIQE", "hf_user": "1Dmeds", "display_name": "ODC26-G15", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 25.335, "axes": {"activity": 16.06, "binding": 0.68, "selectivity": 0.14, "admet": 2.14, "novelty": 3.82, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.535}, "binding": {"pIC50": 5.16, "LE": 0.196, "potency_term": 0.052, "efficiency_cap": 0.654}, "selectivity": {"fold": 1.9, "selectivity_term": 0.14, "target_engagement": 0.052}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.786, "herg": 0.05, "dili": 0.367}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.563770153066292, "aff_pf": 0.8443679213523865, "aff_hs": 1.1234813531239827, "repeats_pf": {"runs": 3, "values": [1.0226, 0.8239, 0.6865], "mean": 0.8444, "spread": 0.3361}, "repeats_hs": {"runs": 3, "values": [1.2468, 1.0923, 1.0314], "mean": 1.1235, "spread": 0.2154}, "at": 1787377472}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372744, "scored_at": 1787377472, "alerts": [], "rank": 4456}, {"candidate_id": "ODC-D8D71F", "res_at": 1787230166, "skeleton": "ZKEWFIIEVYTFSJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········3)CC1", "total": 25.31, "axes": {"activity": 12.98, "binding": 4.74, "selectivity": 0.52, "admet": 2.35, "novelty": 2.7, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 5.92, "LE": 0.232, "potency_term": 0.307, "efficiency_cap": 0.773}, "selectivity": {"fold": 1.5, "selectivity_term": 0.085, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.092, "cyp2c9-veith": 0.422, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.376, "novelty": 0.624}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.37885700599183, "aff_pf": 0.07906619707743327, "aff_hs": 0.24869600931803384, "repeats_pf": {"runs": 3, "values": [0.0271, 0.2318, -0.0217], "mean": 0.0791, "spread": 0.2535}, "repeats_hs": {"runs": 3, "values": [0.0382, 0.414, 0.2939], "mean": 0.2487, "spread": 0.3758}, "at": 1787230166}, "tier": 1, "relegate_reason": [], "submitted_at": 1787228770, "scored_at": 1787230166, "alerts": [], "rank": 4457}, {"candidate_id": "ODC-A75AAA", "res_at": 1789435875, "skeleton": "ROZSEOUJJDKJNH", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 25.297, "axes": {"activity": 11.55, "binding": 7.26, "selectivity": 0.24, "admet": 2.84, "novelty": 2.37, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 6.19, "LE": 0.274, "potency_term": 0.398, "efficiency_cap": 0.912}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.633, "cyp2c9-veith": 0.296, "cyp3a4-substrate-carbonmangels": 0.824, "ld50-zhu": 0.868, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 4.11}}, "run": {"gpu": "0", "pAct_q10": 5.293219901687194, "aff_pf": -0.19339247544606528, "aff_hs": -0.13338959713776907, "repeats_pf": {"runs": 3, "values": [-0.0932, -0.2801, -0.2069], "mean": -0.1934, "spread": 0.1868}, "repeats_hs": {"runs": 3, "values": [-0.2583, 0.0221, -0.164], "mean": -0.1334, "spread": 0.2804}, "at": 1789435875}, "tier": 1, "alerts": [], "total_sd": 0.516, "total_ci95": [24.61, 26.477], "relegate_reason": [], "submitted_at": 1789435014, "scored_at": 1789435875, "rank": 4458}, {"candidate_id": "ODC-EB8873", "res_at": 1787085754, "skeleton": "ASJJJVKJXPKDDF", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········2)cc1", "total": 25.295, "axes": {"activity": 13.62, "binding": 3.12, "selectivity": 1.76, "admet": 1.76, "novelty": 2.96, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 5.59, "LE": 0.239, "potency_term": 0.196, "efficiency_cap": 0.797}, "selectivity": {"fold": 7.9, "selectivity_term": 0.45, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.411, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.374, "ld50-zhu": 0.755, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.417244137549114, "aff_pf": 0.4130454162756602, "aff_hs": 1.3128640254338582, "repeats_pf": {"runs": 3, "values": [0.4874, 0.432, 0.3198], "mean": 0.413, "spread": 0.1676}, "repeats_hs": {"runs": 3, "values": [1.2395, 1.1011, 1.5981], "mean": 1.3129, "spread": 0.497}, "at": 1787085754}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074169, "scored_at": 1787085754, "alerts": [], "rank": 4459}, {"candidate_id": "ODC-3DA95C", "res_at": 1787237697, "skeleton": "JMOLSQXWCINUPQ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········c2)N1", "total": 25.278, "axes": {"activity": 15.35, "binding": 0.56, "selectivity": 0.0, "admet": 3.49, "novelty": 3.67, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.521, "fraction": 0.512}, "binding": {"pIC50": 5.1, "LE": 0.25, "potency_term": 0.034, "efficiency_cap": 0.832}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.034}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.988, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.532, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.521298590653705, "aff_pf": 0.8994073470433553, "aff_hs": 0.8993095556894938, "repeats_pf": {"runs": 3, "values": [0.8803, 0.9215, 0.8965], "mean": 0.8994, "spread": 0.0413}, "repeats_hs": {"runs": 3, "values": [0.9887, 0.8762, 0.833], "mean": 0.8993, "spread": 0.1556}, "at": 1787237697}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234318, "scored_at": 1787237697, "alerts": [], "rank": 4460}, {"candidate_id": "ODC-0B8EB9", "res_at": 1788983348, "skeleton": "CTPJUQKYLSSISH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(B··········cc1Cl", "total": 25.218, "axes": {"activity": 11.97, "binding": 4.64, "selectivity": 0.5, "admet": 3.35, "novelty": 2.77, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 5.7, "LE": 0.355, "potency_term": 0.232, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.109, "target_engagement": 0.232}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.748, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.66, "ld50-zhu": 0.323, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.317991313176759, "aff_pf": 0.3040721118450165, "aff_hs": 0.5216222802797953, "repeats_pf": {"runs": 3, "values": [0.2826, 0.3741, 0.2555], "mean": 0.3041, "spread": 0.1186}, "repeats_hs": {"runs": 3, "values": [0.6212, 0.4597, 0.4839], "mean": 0.5216, "spread": 0.1615}, "at": 1788983348}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [24.555, 25.832], "relegate_reason": [], "submitted_at": 1788978254, "scored_at": 1788983348, "rank": 4461}, {"candidate_id": "ODC-A3791A", "res_at": 1787655184, "skeleton": "QWYWEOLBXSWISS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCC(=O··········F)CC1", "total": 25.197, "axes": {"activity": 10.11, "binding": 6.74, "selectivity": 1.97, "admet": 3.19, "novelty": 2.54, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 5.206, "fraction": 0.337}, "binding": {"pIC50": 6.06, "LE": 0.286, "potency_term": 0.353, "efficiency_cap": 0.954}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.631, "per_endpoint": {"solubility-aqsoldb": 0.612, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.699, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 4.65}}, "run": {"gpu": "3", "pAct_q10": 5.206406625839763, "aff_pf": -0.05960536499818166, "aff_hs": 0.49841566880544025, "repeats_pf": {"runs": 3, "values": [-0.0898, 0.22, -0.309], "mean": -0.0596, "spread": 0.529}, "repeats_hs": {"runs": 3, "values": [0.5695, 0.6002, 0.3256], "mean": 0.4984, "spread": 0.2746}, "at": 1787655184}, "tier": 1, "relegate_reason": [], "submitted_at": 1787648156, "scored_at": 1787655184, "alerts": [], "rank": 4462}, {"candidate_id": "ODC-BDCDC2", "res_at": 1787023380, "skeleton": "YRLLKPAISMCMOQ", "hf_user": "takutoyo", "display_name": "PfD5-B1", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········O)CC1", "total": 25.189, "axes": {"activity": 11.4, "binding": 4.88, "selectivity": 2.14, "admet": 2.3, "novelty": 2.56, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.284, "fraction": 0.38}, "binding": {"pIC50": 5.83, "LE": 0.266, "potency_term": 0.275, "efficiency_cap": 0.887}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.275}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.497, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.675, "herg": 0.05, "dili": 0.123}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "2", "pAct_q10": 5.2842441690254685, "aff_pf": 0.17454135914643606, "aff_hs": 0.9534096717834473, "repeats_pf": {"runs": 3, "values": [-0.2325, 0.411, 0.3451], "mean": 0.1745, "spread": 0.6436}, "repeats_hs": {"runs": 3, "values": [0.8791, 1.0448, 0.9363], "mean": 0.9534, "spread": 0.1657}, "at": 1787023380}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023082, "scored_at": 1787023380, "alerts": [], "rank": 4463}, {"candidate_id": "ODC-F04F36", "res_at": 1787127908, "skeleton": "ORBVCXIPZPOVSJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(=O··········3)CC1", "total": 25.179, "axes": {"activity": 12.07, "binding": 5.03, "selectivity": 1.14, "admet": 2.59, "novelty": 2.42, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.324, "fraction": 0.402}, "binding": {"pIC50": 5.92, "LE": 0.246, "potency_term": 0.307, "efficiency_cap": 0.819}, "selectivity": {"fold": 2.3, "selectivity_term": 0.185, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.27, "cyp3a4-substrate-carbonmangels": 0.233, "ld50-zhu": 0.782, "herg": 0.05, "dili": 0.883}}, "novelty": {"max_tanimoto": 0.398, "novelty": 0.602}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.324074671546679, "aff_pf": 0.07992002367973328, "aff_hs": 0.4509199857711792, "repeats_pf": {"runs": 3, "values": [0.2641, -0.3261, 0.3018], "mean": 0.0799, "spread": 0.6279}, "repeats_hs": {"runs": 3, "values": [0.2185, 0.7811, 0.3532], "mean": 0.4509, "spread": 0.5626}, "at": 1787127908}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116566, "scored_at": 1787127908, "alerts": [], "rank": 4464}, {"candidate_id": "ODC-74D717", "res_at": 1786988233, "skeleton": "SLPIEYPVWBEONJ", "hf_user": "polarbearsong", "display_name": "ODC-R2-03-triazolopyrimidine-pyridazinyl", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········3)nn1", "total": 25.177, "axes": {"activity": 6.47, "binding": 9.41, "selectivity": 0.0, "admet": 4.52, "novelty": 3.03, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 4.988, "fraction": 0.216}, "binding": {"pIC50": 6.41, "LE": 0.382, "potency_term": 0.47, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.47}, "admet": {"geometric_mean": 0.641, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.834, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.873, "ld50-zhu": 0.471, "herg": 0.917, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 4.987990615546501, "aff_pf": -0.41118045647939044, "aff_hs": -0.4505005478858948, "repeats_pf": {"runs": 3, "values": [-0.3971, -0.4415, -0.3949], "mean": -0.4112, "spread": 0.0467}, "repeats_hs": {"runs": 3, "values": [-0.4738, -0.4525, -0.4252], "mean": -0.4505, "spread": 0.0486}, "at": 1786988233}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984574, "scored_at": 1786988233, "alerts": [], "rank": 4465}, {"candidate_id": "ODC-CC3AC1", "res_at": 1787492450, "skeleton": "CNFVGOLOLFRDQB", "hf_user": "takutoyo", "display_name": "PfD15-05", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)cc1F", "total": 25.176, "axes": {"activity": 12.49, "binding": 3.57, "selectivity": 0.44, "admet": 4.92, "novelty": 2.72, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 5.55, "LE": 0.292, "potency_term": 0.183, "efficiency_cap": 0.975}, "selectivity": {"fold": 1.7, "selectivity_term": 0.12, "target_engagement": 0.183}, "admet": {"geometric_mean": 0.788, "per_endpoint": {"solubility-aqsoldb": 0.858, "caco2-wang": 0.581, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.7, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.549, "herg": 0.9, "dili": 0.593}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "3", "pAct_q10": 5.349169527527124, "aff_pf": 0.45038673281669617, "aff_hs": 0.6908312638600668, "repeats_pf": {"runs": 3, "values": [0.4459, 0.4434, 0.4619], "mean": 0.4504, "spread": 0.0185}, "repeats_hs": {"runs": 3, "values": [0.7859, 0.5739, 0.7127], "mean": 0.6908, "spread": 0.212}, "at": 1787492450}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787491518, "scored_at": 1787492450, "rank": 4466}, {"candidate_id": "ODC-F9AC4F", "res_at": 1788828919, "skeleton": "RTGSZVGKCPTEBO", "hf_user": "daehan1123", "display_name": "Hanguri-Claude-1", "model_name": "Anthropic Claude", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········32)s1", "total": 25.174, "axes": {"activity": 7.27, "binding": 8.21, "selectivity": 2.56, "admet": 2.51, "novelty": 2.58, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.036, "fraction": 0.242}, "binding": {"pIC50": 6.23, "LE": 0.305, "potency_term": 0.411, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.312, "target_engagement": 0.411}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.73, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.971, "ld50-zhu": 0.297, "herg": 0.237, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.0362515318336305, "aff_pf": -0.23201338946819305, "aff_hs": 0.3916981716950734, "repeats_pf": {"runs": 3, "values": [-0.2779, -0.1639, -0.2542], "mean": -0.232, "spread": 0.1141}, "repeats_hs": {"runs": 3, "values": [0.4557, 0.4033, 0.316], "mean": 0.3917, "spread": 0.1397}, "at": 1788828919}, "tier": 1, "alerts": [], "total_sd": 0.544, "total_ci95": [23.852, 26.086], "relegate_reason": [], "submitted_at": 1788827684, "scored_at": 1788828919, "rank": 4467}, {"candidate_id": "ODC-EFC4D2", "res_at": 1789904278, "skeleton": "ZDGOGFAFRLQYND", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········nc2c1", "total": 25.165, "axes": {"activity": 14.42, "binding": 1.8, "selectivity": 0.74, "admet": 3.36, "novelty": 2.74, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.465, "fraction": 0.481}, "binding": {"pIC50": 5.33, "LE": 0.243, "potency_term": 0.111, "efficiency_cap": 0.812}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.111}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.121, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.578, "herg": 0.23, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.465074157613732, "aff_pf": 0.6681918104489645, "aff_hs": 1.3382083574930828, "repeats_pf": {"runs": 3, "values": [0.6165, 0.6705, 0.7176], "mean": 0.6682, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [1.2979, 1.2672, 1.4495], "mean": 1.3382, "spread": 0.1824}, "at": 1789904278}, "tier": 1, "alerts": [], "total_sd": 0.226, "total_ci95": [24.727, 25.634], "relegate_reason": [], "submitted_at": 1789778673, "scored_at": 1789904278, "rank": 4468}, {"candidate_id": "ODC-117B6A", "res_at": 1788984023, "skeleton": "PIIRIEYGMDSINN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········cc1Cl", "total": 25.159, "axes": {"activity": 11.23, "binding": 4.49, "selectivity": 2.33, "admet": 2.8, "novelty": 2.53, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 5.67, "LE": 0.338, "potency_term": 0.225, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.9, "selectivity_term": 0.519, "target_engagement": 0.225}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.559, "caco2-wang": 0.965, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.39, "herg": 0.05, "dili": 0.404}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.273716386495013, "aff_pf": 0.32611506680647534, "aff_hs": 1.3645636638005574, "repeats_pf": {"runs": 3, "values": [0.2061, 0.3018, 0.4704], "mean": 0.3261, "spread": 0.2643}, "repeats_hs": {"runs": 3, "values": [1.4662, 1.2696, 1.3579], "mean": 1.3646, "spread": 0.1966}, "at": 1788984023}, "tier": 1, "alerts": [], "total_sd": 0.761, "total_ci95": [23.909, 26.787], "relegate_reason": [], "submitted_at": 1788983843, "scored_at": 1788984023, "rank": 4469}, {"candidate_id": "ODC-F73341", "res_at": 1789913924, "skeleton": "ZABSJAPONDZXCE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 25.156, "axes": {"activity": 12.01, "binding": 6.05, "selectivity": 0.0, "admet": 2.88, "novelty": 2.82, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 6.19, "LE": 0.229, "potency_term": 0.396, "efficiency_cap": 0.764}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.458, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.888, "herg": 0.05, "dili": 0.308}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "2", "pAct_q10": 5.320590989881601, "aff_pf": -0.18843690554300943, "aff_hs": -0.4105592767397563, "repeats_pf": {"runs": 3, "values": [-0.3652, -0.156, -0.0441], "mean": -0.1884, "spread": 0.3211}, "repeats_hs": {"runs": 3, "values": [-0.4132, -0.2963, -0.5222], "mean": -0.4106, "spread": 0.2259}, "at": 1789913924}, "tier": 1, "alerts": [], "total_sd": 0.463, "total_ci95": [24.516, 26.254], "relegate_reason": [], "submitted_at": 1789863498, "scored_at": 1789913924, "rank": 4470}, {"candidate_id": "ODC-D2AD6B", "res_at": 1786900678, "skeleton": "FEULSYNPHKHCLY", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C(=O··········32)s1", "total": 25.147, "axes": {"activity": 8.84, "binding": 8.17, "selectivity": 1.63, "admet": 2.41, "novelty": 2.51, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.13, "fraction": 0.295}, "binding": {"pIC50": 6.22, "LE": 0.305, "potency_term": 0.408, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.2, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.746, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.687, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "2", "pAct_q10": 5.13049295743815, "aff_pf": -0.224897101521492, "aff_hs": 0.17412049571673074, "repeats_pf": {"runs": 3, "values": [-0.2338, -0.1667, -0.2742], "mean": -0.2249, "spread": 0.1075}, "repeats_hs": {"runs": 3, "values": [0.0862, 0.139, 0.2972], "mean": 0.1741, "spread": 0.211}, "at": 1786900678}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899121, "scored_at": 1786900678, "alerts": [], "rank": 4471}, {"candidate_id": "ODC-918329", "res_at": 1786978385, "skeleton": "DNXLPRGCWKYSQD", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········cccc1", "total": 25.144, "axes": {"activity": 14.98, "binding": 1.09, "selectivity": 0.0, "admet": 3.62, "novelty": 3.33, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.499, "fraction": 0.499}, "binding": {"pIC50": 4.79, "LE": 0.274, "potency_term": 0.06, "efficiency_cap": 0.912}, "selectivity": {"fold": 2.1, "selectivity_term": 0.162, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.526, "caco2-wang": 0.713, "hia-hou": 1.0, "bioavailability-ma": 0.698, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.33, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "2", "pAct_q10": 5.498730358467084, "aff_pf": 1.2053057352701824, "aff_hs": 1.5298898220062256, "repeats_pf": {"runs": 3, "values": [1.1218, 1.3177, 1.1765], "mean": 1.2053, "spread": 0.1959}, "repeats_hs": {"runs": 3, "values": [1.5711, 1.5251, 1.4935], "mean": 1.5299, "spread": 0.0775}, "at": 1786978385}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976754, "scored_at": 1786978385, "alerts": [], "rank": 4472}, {"candidate_id": "ODC-5B9620", "res_at": 1788517328, "skeleton": "TWKLBQLXYREZPA", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Cl/p-CN", "model_name": "Bio-JS", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 25.12, "axes": {"activity": 9.9, "binding": 6.36, "selectivity": 3.38, "admet": 2.61, "novelty": 1.29, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.194, "fraction": 0.33}, "binding": {"pIC50": 5.95, "LE": 0.388, "potency_term": 0.318, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.531, "target_engagement": 0.318}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.149, "ld50-zhu": 0.475, "herg": 0.828, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.608, "novelty": 0.392}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.193932584643198, "aff_pf": 0.04534406214952469, "aff_hs": 1.106574257214864, "repeats_pf": {"runs": 3, "values": [0.0532, 0.078, 0.0049], "mean": 0.0453, "spread": 0.0731}, "repeats_hs": {"runs": 3, "values": [1.2405, 1.0793, 0.9999], "mean": 1.1066, "spread": 0.2406}, "at": 1788517328}, "tier": 1, "alerts": [], "total_sd": 0.283, "total_ci95": [24.654, 25.783], "relegate_reason": [], "submitted_at": 1788487666, "scored_at": 1788517328, "rank": 4473}, {"candidate_id": "ODC-923DC4", "res_at": 1787132845, "skeleton": "INUBKCSMBPNUBI", "hf_user": "Ku-ku", "display_name": "NB5_vinyl_4CF3benzylamino", "model_name": "triazolo-novel-periphery", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1nc··········)n2n1", "total": 25.099, "axes": {"activity": 13.92, "binding": 2.85, "selectivity": 0.81, "admet": 2.91, "novelty": 2.43, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.435, "fraction": 0.464}, "binding": {"pIC50": 5.43, "LE": 0.31, "potency_term": 0.142, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.142}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.701, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.41, "herg": 0.099, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.43520728570937, "aff_pf": 0.5729661583900452, "aff_hs": 1.1397613088289897, "repeats_pf": {"runs": 3, "values": [0.6391, 0.6199, 0.4599], "mean": 0.573, "spread": 0.1791}, "repeats_hs": {"runs": 3, "values": [0.9344, 1.1821, 1.3028], "mean": 1.1398, "spread": 0.3683}, "at": 1787132845}, "tier": 1, "relegate_reason": [], "submitted_at": 1787125204, "scored_at": 1787132845, "alerts": [], "rank": 4474}, {"candidate_id": "ODC-E7758D", "res_at": 1786891284, "skeleton": "IZMANWHWENRROA", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 25.085, "axes": {"activity": 12.48, "binding": 3.94, "selectivity": 1.43, "admet": 2.51, "novelty": 2.89, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.349, "fraction": 0.416}, "binding": {"pIC50": 5.64, "LE": 0.276, "potency_term": 0.214, "efficiency_cap": 0.92}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.214}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.163, "ld50-zhu": 0.844, "herg": 0.05, "dili": 0.097}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.348777195650988, "aff_pf": 0.35819382468859357, "aff_hs": 1.0263593594233196, "repeats_pf": {"runs": 3, "values": [0.3737, 0.3222, 0.3787], "mean": 0.3582, "spread": 0.0564}, "repeats_hs": {"runs": 3, "values": [0.9599, 1.0919, 1.0272], "mean": 1.0264, "spread": 0.132}, "at": 1786891284}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877807, "scored_at": 1786891284, "alerts": [], "rank": 4475}, {"candidate_id": "ODC-35C869", "res_at": 1789350570, "skeleton": "IUUBGJPKQBKEOE", "hf_user": "Bio-JS", "display_name": "0914-S1-div06", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 25.082, "axes": {"activity": 11.01, "binding": 5.61, "selectivity": 2.52, "admet": 2.77, "novelty": 1.87, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.261, "fraction": 0.367}, "binding": {"pIC50": 5.84, "LE": 0.32, "potency_term": 0.281, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.9, "selectivity_term": 0.448, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.885, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.375, "herg": 0.594, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 5.260738193668837, "aff_pf": 0.15822440882523855, "aff_hs": 1.0550586382548015, "repeats_pf": {"runs": 3, "values": [0.1471, 0.1675, 0.1601], "mean": 0.1582, "spread": 0.0204}, "repeats_hs": {"runs": 3, "values": [1.0064, 1.086, 1.0728], "mean": 1.0551, "spread": 0.0796}, "at": 1789350570}, "tier": 1, "alerts": [], "total_sd": 0.08, "total_ci95": [24.923, 25.233], "relegate_reason": [], "submitted_at": 1789346088, "scored_at": 1789350570, "rank": 4476}, {"candidate_id": "ODC-F29B83", "res_at": 1786947927, "skeleton": "ASAIHTZSRMFCDC", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 25.067, "axes": {"activity": 10.93, "binding": 8.23, "selectivity": 0.0, "admet": 3.51, "novelty": 0.88, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.364}, "binding": {"pIC50": 6.23, "LE": 0.328, "potency_term": 0.411, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.411}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.673, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.929, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.056, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.786, "novelty": 0.214}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "2", "pAct_q10": 5.256072870204391, "aff_pf": -0.23382845024267832, "aff_hs": -0.7592655817667643, "repeats_pf": {"runs": 3, "values": [-0.2747, -0.2605, -0.1663], "mean": -0.2338, "spread": 0.1083}, "repeats_hs": {"runs": 3, "values": [-0.6922, -0.8453, -0.7403], "mean": -0.7593, "spread": 0.1531}, "at": 1786947927}, "tier": 1, "relegate_reason": [], "submitted_at": 1786937505, "scored_at": 1786947927, "alerts": [], "rank": 4477}, {"candidate_id": "ODC-20E876", "res_at": 1788082269, "skeleton": "CLOCHYPYCKVJHF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 25.067, "axes": {"activity": 8.47, "binding": 6.93, "selectivity": 3.91, "admet": 2.9, "novelty": 1.22, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.108, "fraction": 0.282}, "binding": {"pIC50": 6.04, "LE": 0.36, "potency_term": 0.347, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.347}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.575, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.933, "cyp3a4-substrate-carbonmangels": 0.159, "ld50-zhu": 0.352, "herg": 0.876, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "0", "pAct_q10": 5.108030532657921, "aff_pf": -0.03970420050124327, "aff_hs": 1.0879486799240112, "repeats_pf": {"runs": 3, "values": [0.0244, -0.1133, -0.0302], "mean": -0.0397, "spread": 0.1378}, "repeats_hs": {"runs": 3, "values": [1.0649, 1.0292, 1.1697], "mean": 1.0879, "spread": 0.1405}, "at": 1788082269}, "tier": 1, "alerts": [], "total_sd": 0.6, "total_ci95": [23.949, 26.135], "relegate_reason": [], "submitted_at": 1788063251, "scored_at": 1788082269, "rank": 4478}, {"candidate_id": "ODC-36ADA8", "res_at": 1787436838, "skeleton": "OKSFPNADFTUNRG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 25.06, "axes": {"activity": 15.49, "binding": 1.38, "selectivity": 0.0, "admet": 3.72, "novelty": 2.58, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.529, "fraction": 0.516}, "binding": {"pIC50": 5.28, "LE": 0.226, "potency_term": 0.092, "efficiency_cap": 0.753}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.092}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.255, "cyp2c9-veith": 0.874, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.442, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 5.529452367202588, "aff_pf": 0.724807858467102, "aff_hs": 0.5135785241921743, "repeats_pf": {"runs": 3, "values": [0.6372, 0.6231, 0.9142], "mean": 0.7248, "spread": 0.2911}, "repeats_hs": {"runs": 3, "values": [0.9279, 0.2833, 0.3296], "mean": 0.5136, "spread": 0.6446}, "at": 1787436838}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436306, "scored_at": 1787436838, "alerts": [], "rank": 4479}, {"candidate_id": "ODC-275650", "res_at": 1787079781, "skeleton": "HDRUGXLVDVGBTP", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········O)c1C", "total": 25.056, "axes": {"activity": 14.43, "binding": 1.54, "selectivity": 0.0, "admet": 4.14, "novelty": 3.47, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.466, "fraction": 0.481}, "binding": {"pIC50": 5.27, "LE": 0.258, "potency_term": 0.09, "efficiency_cap": 0.859}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.09}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.773, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.86}}, "run": {"gpu": "2", "pAct_q10": 5.465834337814097, "aff_pf": 0.7307600378990173, "aff_hs": 0.5326714615027109, "repeats_pf": {"runs": 3, "values": [0.4931, 0.9875, 0.7117], "mean": 0.7308, "spread": 0.4945}, "repeats_hs": {"runs": 3, "values": [0.5433, 0.573, 0.4817], "mean": 0.5327, "spread": 0.0913}, "at": 1787079781}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068700, "scored_at": 1787079781, "alerts": [], "rank": 4480}, {"candidate_id": "ODC-6E5702", "res_at": 1789052960, "skeleton": "JLKFVFQNVSQMGZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 25.054, "axes": {"activity": 11.17, "binding": 7.37, "selectivity": 1.02, "admet": 2.47, "novelty": 1.39, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 6.11, "LE": 0.335, "potency_term": 0.369, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.369}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.96, "cyp2c9-veith": 0.593, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.627, "novelty": 0.373}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.2701909179325455, "aff_pf": -0.10559309025605519, "aff_hs": 0.17157730956872305, "repeats_pf": {"runs": 3, "values": [-0.1837, -0.0266, -0.1065], "mean": -0.1056, "spread": 0.1572}, "repeats_hs": {"runs": 3, "values": [0.1103, 0.1922, 0.2123], "mean": 0.1716, "spread": 0.102}, "at": 1789052960}, "tier": 1, "alerts": [], "total_sd": 0.488, "total_ci95": [24.3, 25.986], "relegate_reason": [], "submitted_at": 1789040964, "scored_at": 1789052960, "rank": 4481}, {"candidate_id": "ODC-2B6457", "res_at": 1789405953, "skeleton": "IGSACNPGPNKJPC", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 25.02, "axes": {"activity": 11.84, "binding": 5.0, "selectivity": 1.69, "admet": 3.14, "novelty": 2.1, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.395}, "binding": {"pIC50": 5.84, "LE": 0.267, "potency_term": 0.281, "efficiency_cap": 0.889}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.945, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.808, "herg": 0.097, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "0", "pAct_q10": 5.3101147011777465, "aff_pf": 0.1567048728466034, "aff_hs": 0.7572585542996725, "repeats_pf": {"runs": 3, "values": [0.1743, 0.121, 0.1748], "mean": 0.1567, "spread": 0.0537}, "repeats_hs": {"runs": 3, "values": [0.7348, 0.7429, 0.7941], "mean": 0.7573, "spread": 0.0593}, "at": 1789405953}, "tier": 1, "alerts": [], "total_sd": 0.174, "total_ci95": [24.759, 25.439], "relegate_reason": [], "submitted_at": 1789403614, "scored_at": 1789405953, "rank": 4482}, {"candidate_id": "ODC-C0A5A3", "res_at": 1787016446, "skeleton": "IPLNLSKNXOPBTO", "hf_user": "ipsych", "display_name": "RCX-Bu-azabiaryl", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 24.971, "axes": {"activity": 14.69, "binding": 2.33, "selectivity": 0.0, "admet": 2.52, "novelty": 3.3, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 5.49, "LE": 0.215, "potency_term": 0.163, "efficiency_cap": 0.716}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.887, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.823, "herg": 0.05, "dili": 0.747}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.481638831233334, "aff_pf": 0.5113733112812042, "aff_hs": 0.01618143419424693, "repeats_pf": {"runs": 3, "values": [0.4954, 0.4954, 0.5433], "mean": 0.5114, "spread": 0.0479}, "repeats_hs": {"runs": 3, "values": [0.0739, 0.3561, -0.3815], "mean": 0.0162, "spread": 0.7375}, "at": 1787016446}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016262, "scored_at": 1787016446, "alerts": [], "rank": 4483}, {"candidate_id": "ODC-8BFF14", "res_at": 1787265505, "skeleton": "DFJGKJKQEZXCPP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 24.969, "axes": {"activity": 16.34, "binding": 0.16, "selectivity": 0.0, "admet": 2.79, "novelty": 3.17, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.58, "fraction": 0.545}, "binding": {"pIC50": 5.04, "LE": 0.187, "potency_term": 0.012, "efficiency_cap": 0.622}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.012}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.796, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.580322727304341, "aff_pf": 0.9625333547592163, "aff_hs": 0.9219710826873779, "repeats_pf": {"runs": 3, "values": [0.9431, 0.8049, 1.1396], "mean": 0.9625, "spread": 0.3347}, "repeats_hs": {"runs": 3, "values": [0.9029, 0.9675, 0.8955], "mean": 0.922, "spread": 0.0719}, "at": 1787265505}, "tier": 1, "relegate_reason": [], "submitted_at": 1787264765, "scored_at": 1787265505, "alerts": [], "rank": 4484}, {"candidate_id": "ODC-D64E7D", "res_at": 1787194597, "skeleton": "NOVNPNJINPZXMA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 24.969, "axes": {"activity": 12.64, "binding": 4.42, "selectivity": 0.01, "admet": 3.41, "novelty": 2.93, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 5.66, "LE": 0.31, "potency_term": 0.221, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.221}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.908, "cyp2c9-veith": 0.966, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.572, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.358160414156727, "aff_pf": 0.33676595489184064, "aff_hs": 0.3400229314963023, "repeats_pf": {"runs": 3, "values": [0.4098, 0.3164, 0.2841], "mean": 0.3368, "spread": 0.1257}, "repeats_hs": {"runs": 3, "values": [0.3372, 0.2863, 0.3966], "mean": 0.34, "spread": 0.1103}, "at": 1787194597}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192118, "scored_at": 1787194597, "alerts": [], "rank": 4485}, {"candidate_id": "ODC-CFB089", "res_at": 1788867523, "skeleton": "LQYYFEYIRUBJME", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-13", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········[nH]1", "total": 24.968, "axes": {"activity": 6.97, "binding": 8.02, "selectivity": 2.58, "admet": 2.8, "novelty": 2.93, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.018, "fraction": 0.232}, "binding": {"pIC50": 6.2, "LE": 0.37, "potency_term": 0.401, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.322, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.489, "cyp3a4-substrate-carbonmangels": 0.24, "ld50-zhu": 0.3, "herg": 0.819, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.017965901686951, "aff_pf": -0.20355546474456787, "aff_hs": 0.440613975127538, "repeats_pf": {"runs": 3, "values": [-0.2079, -0.3035, -0.0993], "mean": -0.2036, "spread": 0.2042}, "repeats_hs": {"runs": 3, "values": [0.4756, 0.5513, 0.295], "mean": 0.4406, "spread": 0.2563}, "at": 1788867523}, "tier": 1, "alerts": [], "total_sd": 0.874, "total_ci95": [23.37, 26.744], "relegate_reason": [], "submitted_at": 1788856945, "scored_at": 1788867523, "rank": 4486}, {"candidate_id": "ODC-03FC8D", "res_at": 1787552263, "skeleton": "RTKNJTRVNNPYNN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 24.951, "axes": {"activity": 16.85, "binding": 0.63, "selectivity": 0.0, "admet": 1.96, "novelty": 2.81, "synthesis": 2.7}, "detail": {"activity": {"pAct_q10": 5.611, "fraction": 0.562}, "binding": {"pIC50": 5.12, "LE": 0.234, "potency_term": 0.04, "efficiency_cap": 0.779}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.04}, "admet": {"geometric_mean": 0.232, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.366, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.454, "ld50-zhu": 0.575, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.611161193699683, "aff_pf": 0.8794878522555033, "aff_hs": 0.7278443574905396, "repeats_pf": {"runs": 3, "values": [0.9689, 0.8362, 0.8333], "mean": 0.8795, "spread": 0.1356}, "repeats_hs": {"runs": 3, "values": [0.8834, 0.5964, 0.7038], "mean": 0.7278, "spread": 0.287}, "at": 1787552263}, "tier": 1, "relegate_reason": [], "submitted_at": 1787532648, "scored_at": 1787552263, "alerts": [], "rank": 4487}, {"candidate_id": "ODC-B88F21", "res_at": 1787439179, "skeleton": "XCZVPAKWOKAYGK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCN··········)CCC1", "total": 24.945, "axes": {"activity": 12.69, "binding": 5.57, "selectivity": 0.5, "admet": 1.89, "novelty": 2.18, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.361, "fraction": 0.423}, "binding": {"pIC50": 6.06, "LE": 0.237, "potency_term": 0.353, "efficiency_cap": 0.79}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 0.902, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.821, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.421, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "3", "pAct_q10": 5.361337764408752, "aff_pf": -0.05794751147429148, "aff_hs": 0.08335676540931065, "repeats_pf": {"runs": 3, "values": [0.0164, -0.0454, -0.1449], "mean": -0.0579, "spread": 0.1613}, "repeats_hs": {"runs": 3, "values": [0.0875, -0.1083, 0.2709], "mean": 0.0834, "spread": 0.3793}, "at": 1787439179}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436441, "scored_at": 1787439179, "alerts": [], "rank": 4488}, {"candidate_id": "ODC-1FCB8B", "res_at": 1787237119, "skeleton": "MZLDZPOCUBKBDI", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C1C··········2)CC1", "total": 24.939, "axes": {"activity": 14.07, "binding": 2.44, "selectivity": 0.0, "admet": 3.13, "novelty": 3.32, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 5.51, "LE": 0.216, "potency_term": 0.17, "efficiency_cap": 0.719}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.17}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.126, "cyp3a4-substrate-carbonmangels": 0.219, "ld50-zhu": 0.707, "herg": 0.064, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.443987747315304, "aff_pf": 0.4914948840936025, "aff_hs": 0.2707663228114446, "repeats_pf": {"runs": 3, "values": [0.3633, 0.5086, 0.6026], "mean": 0.4915, "spread": 0.2392}, "repeats_hs": {"runs": 3, "values": [0.1072, 0.4385, 0.2666], "mean": 0.2708, "spread": 0.3314}, "at": 1787237119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787233824, "scored_at": 1787237119, "alerts": [], "rank": 4489}, {"candidate_id": "ODC-57F96E", "res_at": 1787366381, "skeleton": "JKBLKFDDWKHWRJ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCC(F)O··········3)cn1", "total": 24.929, "axes": {"activity": 14.67, "binding": 1.34, "selectivity": 0.0, "admet": 4.08, "novelty": 3.58, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 5.24, "LE": 0.256, "potency_term": 0.079, "efficiency_cap": 0.854}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.079}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.846, "cyp3a4-substrate-carbonmangels": 0.15, "ld50-zhu": 0.624, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 4.21}}, "run": {"gpu": "3", "pAct_q10": 5.480152193101811, "aff_pf": 0.7637858788172404, "aff_hs": 0.06788307428359985, "repeats_pf": {"runs": 3, "values": [0.7652, 0.7745, 0.7516], "mean": 0.7638, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [-0.0102, 0.0428, 0.1711], "mean": 0.0679, "spread": 0.1813}, "at": 1787366381}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364643, "scored_at": 1787366381, "alerts": [], "rank": 4490}, {"candidate_id": "ODC-502B34", "res_at": 1789965722, "skeleton": "MRZCPWGOIMUYNA", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)c2n1", "total": 24.923, "axes": {"activity": 13.2, "binding": 4.27, "selectivity": 0.64, "admet": 1.93, "novelty": 2.95, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.392, "fraction": 0.44}, "binding": {"pIC50": 5.84, "LE": 0.229, "potency_term": 0.28, "efficiency_cap": 0.762}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.28}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.258, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.391867436011516, "aff_pf": 0.1594721575578054, "aff_hs": 0.38829439878463745, "repeats_pf": {"runs": 3, "values": [0.1427, 0.1294, 0.2064], "mean": 0.1595, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [0.1314, 0.4407, 0.5927], "mean": 0.3883, "spread": 0.4613}, "at": 1789965722}, "tier": 1, "alerts": [], "total_sd": 0.369, "total_ci95": [24.256, 25.61], "relegate_reason": [], "submitted_at": 1789910873, "scored_at": 1789965722, "rank": 4491}, {"candidate_id": "ODC-06E212", "res_at": 1786872113, "skeleton": "VLEVFCHNKZEWDG", "hf_user": "DOATC", "display_name": "SOL_RETAKE_05", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.913, "axes": {"activity": 10.5, "binding": 7.91, "selectivity": 0.79, "admet": 2.47, "novelty": 1.44, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.23, "fraction": 0.35}, "binding": {"pIC50": 6.19, "LE": 0.369, "potency_term": 0.396, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 0.098, "ld50-zhu": 0.461, "herg": 0.157, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.229849305248839, "aff_pf": -0.18653987844785055, "aff_hs": 0.014012825985749563, "repeats_pf": {"runs": 3, "values": [-0.1461, -0.171, -0.2426], "mean": -0.1865, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [0.0361, -0.0024, 0.0083], "mean": 0.014, "spread": 0.0386}, "at": 1786872113}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865948, "scored_at": 1786872113, "alerts": [], "rank": 4492}, {"candidate_id": "ODC-9EB308", "res_at": 1787203228, "skeleton": "JDPHYJVOWHZUQG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CCC··········l)N1O", "total": 24.874, "axes": {"activity": 0.91, "binding": 11.31, "selectivity": 0.02, "admet": 6.32, "novelty": 4.06, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 4.121, "fraction": 0.03}, "binding": {"pIC50": 6.7, "LE": 0.459, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.745, "per_endpoint": {"solubility-aqsoldb": 0.609, "caco2-wang": 0.955, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.53, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.446, "herg": 1.0, "dili": 0.809}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 4.121135510841336, "aff_pf": -0.696381688117981, "aff_hs": -0.6935668587684631, "repeats_pf": {"runs": 3, "values": [-0.7563, -0.6301, -0.7027], "mean": -0.6964, "spread": 0.1261}, "repeats_hs": {"runs": 3, "values": [-0.8227, -0.7008, -0.5572], "mean": -0.6936, "spread": 0.2655}, "at": 1787203228}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200583, "scored_at": 1787203228, "alerts": [], "rank": 4493}, {"candidate_id": "ODC-D51483", "res_at": 1789958364, "skeleton": "SAHSUNVCALQUOZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 24.862, "axes": {"activity": 13.81, "binding": 2.28, "selectivity": 0.0, "admet": 3.62, "novelty": 3.15, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.428, "fraction": 0.46}, "binding": {"pIC50": 5.49, "LE": 0.209, "potency_term": 0.164, "efficiency_cap": 0.697}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.164}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 0.918, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.37, "ld50-zhu": 0.951, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.428366881907456, "aff_pf": 0.5084249277909597, "aff_hs": 0.23966066042582193, "repeats_pf": {"runs": 3, "values": [0.5857, 0.4732, 0.4663], "mean": 0.5084, "spread": 0.1194}, "repeats_hs": {"runs": 3, "values": [0.4107, 0.1386, 0.1697], "mean": 0.2397, "spread": 0.2721}, "at": 1789958364}, "tier": 1, "alerts": [], "total_sd": 0.168, "total_ci95": [24.476, 25.077], "relegate_reason": [], "submitted_at": 1789863685, "scored_at": 1789958364, "rank": 4494}, {"candidate_id": "ODC-F385F2", "res_at": 1787418910, "skeleton": "FZSRHDOWGXMLQW", "hf_user": "NILKNARFGonzo", "display_name": "2-(4-(6-(4'-fluoro-2-(pentylamino)-[1,1'-biphenyl]-4-yl)-4-m", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "CCCCCNc1cc(-c2ccc(F)cc2)ccc1-c1cnc2c(-c3ccc(C(C)(C)C#N)cc3)c(C)nnc2c1", "smiles_masked": null, "total": 24.854, "axes": {"activity": 11.76, "binding": 6.01, "selectivity": 0.9, "admet": 1.82, "novelty": 2.63, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.305, "fraction": 0.392}, "binding": {"pIC50": 6.29, "LE": 0.21, "potency_term": 0.429, "efficiency_cap": 0.7}, "selectivity": {"fold": 1.6, "selectivity_term": 0.105, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.617, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.851, "herg": 0.05, "dili": 0.488}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.30543295219479, "aff_pf": -0.28714343905448914, "aff_hs": -0.07809862494468689, "repeats_pf": {"runs": 3, "values": [-0.2653, -0.0208, -0.5753], "mean": -0.2871, "spread": 0.5545}, "repeats_hs": {"runs": 3, "values": [-0.2586, 0.097, -0.0727], "mean": -0.0781, "spread": 0.3556}, "at": 1787418910}, "tier": 1, "relegate_reason": [], "submitted_at": 1787415823, "scored_at": 1787418910, "alerts": [], "rank": 4495}, {"candidate_id": "ODC-1E96D9", "res_at": 1789239780, "skeleton": "NLULNOJBCVVUIA", "hf_user": "Bio-JS", "display_name": "0913-S1-div19", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 24.847, "axes": {"activity": 9.64, "binding": 7.09, "selectivity": 2.63, "admet": 2.35, "novelty": 1.55, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.178, "fraction": 0.321}, "binding": {"pIC50": 6.06, "LE": 0.378, "potency_term": 0.355, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.791, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.23, "herg": 0.547, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.178161490408121, "aff_pf": -0.06413376765946548, "aff_hs": 0.6784613132476807, "repeats_pf": {"runs": 3, "values": [-0.0208, -0.119, -0.0526], "mean": -0.0641, "spread": 0.0982}, "repeats_hs": {"runs": 3, "values": [0.7853, 0.4746, 0.7755], "mean": 0.6785, "spread": 0.3107}, "at": 1789239780}, "tier": 1, "alerts": [], "total_sd": 0.511, "total_ci95": [23.91, 25.825], "relegate_reason": [], "submitted_at": 1789226354, "scored_at": 1789239780, "rank": 4496}, {"candidate_id": "ODC-65E0D1", "res_at": 1788939867, "skeleton": "JBYRYTSWLORYDY", "hf_user": "trblnfxn", "display_name": "NC-OPT-02", "model_name": "Hermes-NewCore-Pareto-v1", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········C(F)F", "total": 24.846, "axes": {"activity": 11.82, "binding": 4.87, "selectivity": 1.17, "admet": 2.56, "novelty": 2.71, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 5.87, "LE": 0.251, "potency_term": 0.291, "efficiency_cap": 0.838}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.291}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.678, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.852, "ld50-zhu": 0.518, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.308996365255451, "aff_pf": 0.12798250218232474, "aff_hs": 0.5300665100415548, "repeats_pf": {"runs": 3, "values": [0.1948, 0.1671, 0.022], "mean": 0.128, "spread": 0.1728}, "repeats_hs": {"runs": 3, "values": [0.5756, 0.5262, 0.4884], "mean": 0.5301, "spread": 0.0872}, "at": 1788939867}, "tier": 1, "alerts": [], "total_sd": 0.479, "total_ci95": [24.168, 26.025], "relegate_reason": [], "submitted_at": 1788938433, "scored_at": 1788939867, "rank": 4497}, {"candidate_id": "ODC-8E8D69", "res_at": 1786889789, "skeleton": "HMSDTSCFFUZJCF", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.843, "axes": {"activity": 6.01, "binding": 7.99, "selectivity": 3.62, "admet": 3.13, "novelty": 2.26, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 4.96, "fraction": 0.2}, "binding": {"pIC50": 6.2, "LE": 0.369, "potency_term": 0.4, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.453, "target_engagement": 0.4}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.565, "herg": 0.483, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 4.960497837331517, "aff_pf": -0.19902224093675613, "aff_hs": 0.7061266104380289, "repeats_pf": {"runs": 3, "values": [-0.0544, -0.3089, -0.2337], "mean": -0.199, "spread": 0.2544}, "repeats_hs": {"runs": 3, "values": [0.6842, 0.7288, 0.7053], "mean": 0.7061, "spread": 0.0447}, "at": 1786889789}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881015, "scored_at": 1786889789, "alerts": [], "rank": 4498}, {"candidate_id": "ODC-59BFA0", "res_at": 1787365870, "skeleton": "CSXKDPSHMDEPIV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)Oc··········3)cn1", "total": 24.834, "axes": {"activity": 13.01, "binding": 4.06, "selectivity": 0.0, "admet": 3.43, "novelty": 3.16, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.38, "fraction": 0.434}, "binding": {"pIC50": 5.64, "LE": 0.286, "potency_term": 0.213, "efficiency_cap": 0.954}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.914, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.585, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 4.11}}, "run": {"gpu": "3", "pAct_q10": 5.380455922345876, "aff_pf": 0.3616192589203517, "aff_hs": 0.23233369986216226, "repeats_pf": {"runs": 3, "values": [0.4333, 0.1829, 0.4686], "mean": 0.3616, "spread": 0.2856}, "repeats_hs": {"runs": 3, "values": [0.2889, 0.2941, 0.114], "mean": 0.2323, "spread": 0.1801}, "at": 1787365870}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364624, "scored_at": 1787365870, "alerts": [], "rank": 4499}, {"candidate_id": "ODC-455469", "res_at": 1787079209, "skeleton": "VKMRIDDOEKGPHH", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 24.83, "axes": {"activity": 11.27, "binding": 7.37, "selectivity": 1.01, "admet": 1.14, "novelty": 2.62, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.276, "fraction": 0.376}, "binding": {"pIC50": 6.46, "LE": 0.227, "potency_term": 0.487, "efficiency_cap": 0.757}, "selectivity": {"fold": 1.6, "selectivity_term": 0.103, "target_engagement": 0.487}, "admet": {"geometric_mean": 0.203, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.31, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 5.276286998158337, "aff_pf": -0.4607255260149638, "aff_hs": -0.2539907395839691, "repeats_pf": {"runs": 3, "values": [-0.4979, -0.5414, -0.3428], "mean": -0.4607, "spread": 0.1986}, "repeats_hs": {"runs": 3, "values": [-0.1688, -0.2535, -0.3397], "mean": -0.254, "spread": 0.1708}, "at": 1787079209}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067104, "scored_at": 1787079209, "alerts": [], "rank": 4500}, {"candidate_id": "ODC-7B4942", "res_at": 1787367419, "skeleton": "GMMFTCQUKCDKJS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 24.823, "axes": {"activity": 13.54, "binding": 2.6, "selectivity": 0.0, "admet": 3.98, "novelty": 3.44, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.412, "fraction": 0.451}, "binding": {"pIC50": 5.45, "LE": 0.258, "potency_term": 0.151, "efficiency_cap": 0.859}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.151}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.608, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.877, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 4.04}}, "run": {"gpu": "3", "pAct_q10": 5.412395853281948, "aff_pf": 0.5461398363113403, "aff_hs": 0.3886084755261739, "repeats_pf": {"runs": 3, "values": [0.5053, 0.6238, 0.5094], "mean": 0.5461, "spread": 0.1185}, "repeats_hs": {"runs": 3, "values": [0.4036, 0.4341, 0.3281], "mean": 0.3886, "spread": 0.1059}, "at": 1787367419}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364716, "scored_at": 1787367419, "alerts": [], "rank": 4501}, {"candidate_id": "ODC-8862C7", "res_at": 1787900321, "skeleton": "HYFILBCLPPCAKC", "hf_user": "Bio-JS", "display_name": "팔제거: 코어2-CF3 + 옥세탄", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 24.821, "axes": {"activity": 11.5, "binding": 5.65, "selectivity": 1.01, "admet": 2.21, "novelty": 2.79, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.29, "fraction": 0.383}, "binding": {"pIC50": 5.85, "LE": 0.308, "potency_term": 0.282, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.178, "target_engagement": 0.282}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.594, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.454, "herg": 0.05, "dili": 0.253}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.289860175373072, "aff_pf": 0.152507317562898, "aff_hs": 0.5088729759057363, "repeats_pf": {"runs": 3, "values": [0.0583, 0.2966, 0.1026], "mean": 0.1525, "spread": 0.2383}, "repeats_hs": {"runs": 3, "values": [0.4814, 0.5145, 0.5307], "mean": 0.5089, "spread": 0.0494}, "at": 1787900321}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889385, "scored_at": 1787900321, "alerts": [], "rank": 4502}, {"candidate_id": "ODC-496BBD", "res_at": 1788445863, "skeleton": "ZYPBLOURVGCNPE", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········n2)n1", "total": 24.815, "axes": {"activity": 10.8, "binding": 6.81, "selectivity": 0.4, "admet": 3.0, "novelty": 2.68, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 6.1, "LE": 0.279, "potency_term": 0.367, "efficiency_cap": 0.928}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.532, "ld50-zhu": 0.824, "herg": 0.491, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "0", "pAct_q10": 5.248011516894601, "aff_pf": -0.09956976771354675, "aff_hs": 0.009947530925273895, "repeats_pf": {"runs": 3, "values": [-0.2041, -0.2321, 0.1375], "mean": -0.0996, "spread": 0.3696}, "repeats_hs": {"runs": 3, "values": [-0.0499, 0.0414, 0.0383], "mean": 0.0099, "spread": 0.0914}, "at": 1788445863}, "tier": 1, "alerts": [], "total_sd": 1.19, "total_ci95": [23.529, 26.949], "relegate_reason": [], "submitted_at": 1788366442, "scored_at": 1788445863, "rank": 4503}, {"candidate_id": "ODC-258D3F", "res_at": 1787894651, "skeleton": "SQQANZNFCQZDCD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-29", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 24.807, "axes": {"activity": 12.59, "binding": 5.63, "selectivity": 0.0, "admet": 2.19, "novelty": 2.85, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.355, "fraction": 0.42}, "binding": {"pIC50": 6.04, "LE": 0.243, "potency_term": 0.347, "efficiency_cap": 0.811}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.347}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.611, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.195, "ld50-zhu": 0.668, "herg": 0.258, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.355486638997976, "aff_pf": -0.04145039121309916, "aff_hs": -0.288491557041804, "repeats_pf": {"runs": 3, "values": [-0.0477, -0.0307, -0.046], "mean": -0.0415, "spread": 0.017}, "repeats_hs": {"runs": 3, "values": [-0.3003, -0.2089, -0.3563], "mean": -0.2885, "spread": 0.1474}, "at": 1787894651}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841499, "scored_at": 1787894651, "alerts": [], "rank": 4504}, {"candidate_id": "ODC-F6CCE9", "res_at": 1789211701, "skeleton": "KISWYLNRQGSUGV", "hf_user": "Bio-JS", "display_name": "0912-S1-x2CSC_anilClCHF2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSCc1nc··········)n2n1", "total": 24.787, "axes": {"activity": 7.59, "binding": 8.97, "selectivity": 1.13, "admet": 2.73, "novelty": 2.47, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.055, "fraction": 0.253}, "binding": {"pIC50": 6.35, "LE": 0.362, "potency_term": 0.449, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.449}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.695, "cyp2c9-veith": 0.072, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.552, "herg": 0.233, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.055224248955621, "aff_pf": -0.34587331612904865, "aff_hs": -0.09289402763048808, "repeats_pf": {"runs": 3, "values": [-0.4084, -0.2161, -0.4131], "mean": -0.3459, "spread": 0.197}, "repeats_hs": {"runs": 3, "values": [0.1041, -0.2066, -0.1761], "mean": -0.0929, "spread": 0.3108}, "at": 1789211701}, "tier": 1, "alerts": [], "total_sd": 0.993, "total_ci95": [22.644, 26.422], "relegate_reason": [], "submitted_at": 1789177579, "scored_at": 1789211701, "rank": 4505}, {"candidate_id": "ODC-2068EA", "res_at": 1787970042, "skeleton": "KPUSMQJRWCLESK", "hf_user": "Bio-JS", "display_name": "B x 팔4 C-연결 싸이오피란다이옥사이드", "model_name": "anthropic/claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········2)cc1", "total": 24.781, "axes": {"activity": 12.21, "binding": 6.09, "selectivity": 0.12, "admet": 1.74, "novelty": 3.02, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.332, "fraction": 0.407}, "binding": {"pIC50": 6.2, "LE": 0.229, "potency_term": 0.398, "efficiency_cap": 0.765}, "selectivity": {"fold": 1.1, "selectivity_term": 0.014, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.402, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.202}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.332350298238793, "aff_pf": -0.19525821010271707, "aff_hs": -0.16638324161370596, "repeats_pf": {"runs": 3, "values": [-0.1827, 0.0968, -0.4998], "mean": -0.1953, "spread": 0.5966}, "repeats_hs": {"runs": 3, "values": [-0.1595, -0.2391, -0.1005], "mean": -0.1664, "spread": 0.1386}, "at": 1787970042}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967314, "scored_at": 1787970042, "alerts": [], "rank": 4506}, {"candidate_id": "ODC-A16AC3", "res_at": 1787234357, "skeleton": "FWWAHAVSPVFSJQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 24.774, "axes": {"activity": 14.91, "binding": 1.25, "selectivity": 0.0, "admet": 3.17, "novelty": 3.24, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 5.27, "LE": 0.206, "potency_term": 0.091, "efficiency_cap": 0.688}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.47, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.49434654637343, "aff_pf": 0.7278123100598654, "aff_hs": 0.5866113702456156, "repeats_pf": {"runs": 3, "values": [0.6215, 0.6628, 0.8991], "mean": 0.7278, "spread": 0.2776}, "repeats_hs": {"runs": 3, "values": [0.6634, 0.4529, 0.6435], "mean": 0.5866, "spread": 0.2105}, "at": 1787234357}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232052, "scored_at": 1787234357, "alerts": [], "rank": 4507}, {"candidate_id": "ODC-CB7FCC", "res_at": 1788461441, "skeleton": "ARXSZAKERBINSV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········(C)n1", "total": 24.757, "axes": {"activity": 7.59, "binding": 9.56, "selectivity": 0.47, "admet": 1.79, "novelty": 3.4, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.055, "fraction": 0.253}, "binding": {"pIC50": 6.65, "LE": 0.26, "potency_term": 0.551, "efficiency_cap": 0.868}, "selectivity": {"fold": 1.2, "selectivity_term": 0.043, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.493, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.055167858288971, "aff_pf": -0.6522224942843119, "aff_hs": -0.5666042566299438, "repeats_pf": {"runs": 3, "values": [-0.7088, -0.5656, -0.6823], "mean": -0.6522, "spread": 0.1432}, "repeats_hs": {"runs": 3, "values": [-0.5125, -0.6893, -0.498], "mean": -0.5666, "spread": 0.1913}, "at": 1788461441}, "tier": 1, "alerts": [], "total_sd": 0.683, "total_ci95": [23.687, 25.981], "relegate_reason": [], "submitted_at": 1788394239, "scored_at": 1788461441, "rank": 4508}, {"candidate_id": "ODC-2E9170", "res_at": 1787377079, "skeleton": "WEPKEGIGDKSWGW", "hf_user": "1Dmeds", "display_name": "ODC26-G13", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 24.752, "axes": {"activity": 15.88, "binding": 0.64, "selectivity": 0.04, "admet": 2.13, "novelty": 3.64, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.553, "fraction": 0.529}, "binding": {"pIC50": 5.14, "LE": 0.213, "potency_term": 0.045, "efficiency_cap": 0.711}, "selectivity": {"fold": 1.2, "selectivity_term": 0.042, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.837, "herg": 0.05, "dili": 0.426}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.552878579537633, "aff_pf": 0.864851733048757, "aff_hs": 0.9480124711990356, "repeats_pf": {"runs": 3, "values": [0.6963, 0.9314, 0.9668], "mean": 0.8649, "spread": 0.2706}, "repeats_hs": {"runs": 3, "values": [1.0391, 0.9158, 0.8891], "mean": 0.948, "spread": 0.15}, "at": 1787377079}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372729, "scored_at": 1787377079, "alerts": [], "rank": 4509}, {"candidate_id": "ODC-FA64B3", "res_at": 1790001394, "skeleton": "GUDXXMUJWHJZEJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 24.724, "axes": {"activity": 15.74, "binding": 1.02, "selectivity": 0.0, "admet": 2.1, "novelty": 3.72, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.545, "fraction": 0.525}, "binding": {"pIC50": 5.22, "LE": 0.205, "potency_term": 0.075, "efficiency_cap": 0.682}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.075}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.885, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.544533388012599, "aff_pf": 0.77523805697759, "aff_hs": -0.2239456151922544, "repeats_pf": {"runs": 3, "values": [0.8282, 0.8247, 0.6729], "mean": 0.7752, "spread": 0.1553}, "repeats_hs": {"runs": 3, "values": [-0.1684, -0.0591, -0.4444], "mean": -0.2239, "spread": 0.3853}, "at": 1790001394}, "tier": 1, "alerts": [], "total_sd": 0.192, "total_ci95": [24.475, 25.218], "relegate_reason": [], "submitted_at": 1789993143, "scored_at": 1790001394, "rank": 4510}, {"candidate_id": "ODC-D983EF", "res_at": 1786868076, "skeleton": "VSEGJSRAZAQARF", "hf_user": "DOATC", "display_name": "SOL_AGG70_AZAHOP", "model_name": "오픈AI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cn2··········nc2n1", "total": 24.72, "axes": {"activity": 2.77, "binding": 10.11, "selectivity": 2.83, "admet": 3.81, "novelty": 3.2, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 4.569, "fraction": 0.092}, "binding": {"pIC50": 6.52, "LE": 0.425, "potency_term": 0.505, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.505}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.155, "herg": 0.547, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 4.568814552734877, "aff_pf": -0.5159790019194285, "aff_hs": 0.04399453351895014, "repeats_pf": {"runs": 3, "values": [-0.5389, -0.4455, -0.5635], "mean": -0.516, "spread": 0.118}, "repeats_hs": {"runs": 3, "values": [0.1616, -0.0012, -0.0284], "mean": 0.044, "spread": 0.1899}, "at": 1786868076}, "tier": 1, "relegate_reason": [], "submitted_at": 1786862213, "scored_at": 1786868076, "alerts": [], "rank": 4511}, {"candidate_id": "ODC-CD5C4F", "res_at": 1787224733, "skeleton": "AYXAGGDWFAAUKJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 24.716, "axes": {"activity": 8.96, "binding": 10.08, "selectivity": 0.0, "admet": 2.66, "novelty": 0.71, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.138, "fraction": 0.299}, "binding": {"pIC50": 6.51, "LE": 0.308, "potency_term": 0.504, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.504}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.439, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.517, "herg": 0.05, "dili": 0.277}}, "novelty": {"max_tanimoto": 0.86, "novelty": 0.14}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.137544130070488, "aff_pf": -0.5116507609685262, "aff_hs": -1.1377495924631755, "repeats_pf": {"runs": 3, "values": [-0.5349, -0.5276, -0.4724], "mean": -0.5117, "spread": 0.0625}, "repeats_hs": {"runs": 3, "values": [-1.1393, -1.1299, -1.144], "mean": -1.1377, "spread": 0.0141}, "at": 1787224733}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220810, "scored_at": 1787224733, "alerts": [], "rank": 4512}, {"candidate_id": "ODC-136153", "res_at": 1789875863, "skeleton": "CRGCRGOICHEMBV", "hf_user": "Bio-JS", "display_name": "0917-S1-div14", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 24.713, "axes": {"activity": 7.77, "binding": 6.61, "selectivity": 4.73, "admet": 2.58, "novelty": 1.57, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.066, "fraction": 0.259}, "binding": {"pIC50": 5.99, "LE": 0.373, "potency_term": 0.33, "efficiency_cap": 1.0}, "selectivity": {"fold": 26.9, "selectivity_term": 0.715, "target_engagement": 0.33}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.424, "ld50-zhu": 0.197, "herg": 0.778, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.06615005112224, "aff_pf": 0.008719128866990408, "aff_hs": 1.4390360911687214, "repeats_pf": {"runs": 3, "values": [-0.0309, 0.0651, -0.0081], "mean": 0.0087, "spread": 0.0959}, "repeats_hs": {"runs": 3, "values": [1.5133, 1.3335, 1.4704], "mean": 1.439, "spread": 0.1798}, "at": 1789875863}, "tier": 1, "alerts": [], "total_sd": 0.545, "total_ci95": [23.529, 25.526], "relegate_reason": [], "submitted_at": 1789628601, "scored_at": 1789875863, "rank": 4513}, {"candidate_id": "ODC-346238", "res_at": 1787351217, "skeleton": "QSTAFYRZQMRBJC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 24.71, "axes": {"activity": 15.59, "binding": 1.61, "selectivity": 0.0, "admet": 1.96, "novelty": 3.66, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.535, "fraction": 0.52}, "binding": {"pIC50": 5.36, "LE": 0.204, "potency_term": 0.118, "efficiency_cap": 0.679}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.118}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.411, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.535470079257112, "aff_pf": 0.6448650360107422, "aff_hs": 0.47153544922669727, "repeats_pf": {"runs": 3, "values": [0.5801, 0.705, 0.6496], "mean": 0.6449, "spread": 0.1249}, "repeats_hs": {"runs": 3, "values": [0.4446, -0.156, 1.126], "mean": 0.4715, "spread": 1.282}, "at": 1787351217}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347701, "scored_at": 1787351217, "alerts": [], "rank": 4514}, {"candidate_id": "ODC-3577F5", "res_at": 1787377275, "skeleton": "PMRIXTHHRGIFFD", "hf_user": "1Dmeds", "display_name": "ODC26-G14", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········COCC1", "total": 24.71, "axes": {"activity": 14.4, "binding": 2.78, "selectivity": 0.0, "admet": 1.96, "novelty": 3.39, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 5.57, "LE": 0.218, "potency_term": 0.191, "efficiency_cap": 0.727}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.191}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.929, "herg": 0.05, "dili": 0.389}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.464002777623737, "aff_pf": 0.4265635410944621, "aff_hs": 0.32334819436073303, "repeats_pf": {"runs": 3, "values": [0.5237, 0.3057, 0.4503], "mean": 0.4266, "spread": 0.218}, "repeats_hs": {"runs": 3, "values": [0.1437, 0.5122, 0.3141], "mean": 0.3233, "spread": 0.3685}, "at": 1787377275}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372736, "scored_at": 1787377275, "alerts": [], "rank": 4515}, {"candidate_id": "ODC-8C8245", "res_at": 1789610576, "skeleton": "JAHYWEIYTGVYPO", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 24.697, "axes": {"activity": 12.35, "binding": 5.0, "selectivity": 0.62, "admet": 2.91, "novelty": 2.8, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.412}, "binding": {"pIC50": 5.96, "LE": 0.233, "potency_term": 0.321, "efficiency_cap": 0.778}, "selectivity": {"fold": 1.6, "selectivity_term": 0.096, "target_engagement": 0.321}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.478, "hia-hou": 0.913, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.997, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.71, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 4.26}}, "run": {"gpu": "0", "pAct_q10": 5.34126998219765, "aff_pf": 0.03627523283163706, "aff_hs": 0.22792765498161316, "repeats_pf": {"runs": 3, "values": [0.0599, 0.0456, 0.0033], "mean": 0.0363, "spread": 0.0567}, "repeats_hs": {"runs": 3, "values": [0.3277, 0.1318, 0.2243], "mean": 0.2279, "spread": 0.1959}, "at": 1789610576}, "tier": 1, "alerts": [], "total_sd": 0.201, "total_ci95": [24.37, 25.13], "relegate_reason": [], "submitted_at": 1789609885, "scored_at": 1789610576, "rank": 4516}, {"candidate_id": "ODC-AD92A1", "res_at": 1787031690, "skeleton": "WRXVLVSVVCDSIL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········nc2n1", "total": 24.696, "axes": {"activity": 11.74, "binding": 4.6, "selectivity": 1.49, "admet": 3.0, "novelty": 2.2, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.304, "fraction": 0.391}, "binding": {"pIC50": 5.69, "LE": 0.339, "potency_term": 0.23, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.23}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.56, "cyp3a4-substrate-carbonmangels": 0.232, "ld50-zhu": 0.432, "herg": 0.562, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.304316318197062, "aff_pf": 0.31060701608657837, "aff_hs": 0.9578004876772562, "repeats_pf": {"runs": 3, "values": [0.3378, 0.2589, 0.3351], "mean": 0.3106, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [0.979, 0.9093, 0.9852], "mean": 0.9578, "spread": 0.0759}, "at": 1787031690}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030680, "scored_at": 1787031690, "alerts": [], "rank": 4517}, {"candidate_id": "ODC-DFA628", "res_at": 1787155012, "skeleton": "AIHIOLVIQBXNMO", "hf_user": "takutoyo", "display_name": "PfD8-B1", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.685, "axes": {"activity": 7.98, "binding": 6.95, "selectivity": 4.37, "admet": 2.56, "novelty": 1.53, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.079, "fraction": 0.266}, "binding": {"pIC50": 6.04, "LE": 0.36, "potency_term": 0.348, "efficiency_cap": 1.0}, "selectivity": {"fold": 18.0, "selectivity_term": 0.628, "target_engagement": 0.348}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.446, "herg": 0.863, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.078897918247398, "aff_pf": -0.042957728107770286, "aff_hs": 1.2131964365641277, "repeats_pf": {"runs": 3, "values": [-0.0879, -0.0331, -0.0079], "mean": -0.043, "spread": 0.0801}, "repeats_hs": {"runs": 3, "values": [1.2402, 1.2182, 1.1811], "mean": 1.2132, "spread": 0.0591}, "at": 1787155012}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148064, "scored_at": 1787155012, "alerts": [], "rank": 4518}, {"candidate_id": "ODC-0DBBCA", "res_at": 1786872088, "skeleton": "OOOAWVYATVRLRX", "hf_user": "DOATC", "display_name": "SOL_RETAKE_06", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Br", "total": 24.673, "axes": {"activity": 9.4, "binding": 8.27, "selectivity": 0.0, "admet": 3.36, "novelty": 1.9, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.164, "fraction": 0.313}, "binding": {"pIC50": 6.24, "LE": 0.356, "potency_term": 0.414, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.414}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.775, "cyp3a4-substrate-carbonmangels": 0.516, "ld50-zhu": 0.415, "herg": 0.361, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.541, "novelty": 0.459}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.163747818197997, "aff_pf": -0.24090602000554404, "aff_hs": -0.5141748189926147, "repeats_pf": {"runs": 3, "values": [-0.3955, -0.1731, -0.1542], "mean": -0.2409, "spread": 0.2413}, "repeats_hs": {"runs": 3, "values": [-0.5982, -0.3858, -0.5585], "mean": -0.5142, "spread": 0.2124}, "at": 1786872088}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865956, "scored_at": 1786872088, "alerts": [], "rank": 4519}, {"candidate_id": "ODC-4CF14C", "res_at": 1788145194, "skeleton": "NRTHGHPJXODKMC", "hf_user": "Bio-JS", "display_name": "C3 피롤->피라졸 아자치환", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········C1CC1", "total": 24.673, "axes": {"activity": 8.44, "binding": 7.67, "selectivity": 1.75, "admet": 3.21, "novelty": 1.74, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 6.15, "LE": 0.351, "potency_term": 0.384, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.228, "target_engagement": 0.384}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.361, "ld50-zhu": 0.468, "herg": 0.329, "dili": 0.224}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 5.106488585547965, "aff_pf": -0.15090453624725342, "aff_hs": 0.30556369324525195, "repeats_pf": {"runs": 3, "values": [-0.196, -0.0639, -0.1928], "mean": -0.1509, "spread": 0.132}, "repeats_hs": {"runs": 3, "values": [0.3977, 0.3154, 0.2036], "mean": 0.3056, "spread": 0.194}, "at": 1788145194}, "tier": 1, "alerts": [], "total_sd": 0.678, "total_ci95": [23.234, 25.746], "relegate_reason": [], "submitted_at": 1788139277, "scored_at": 1788145194, "rank": 4520}, {"candidate_id": "ODC-EA6E7E", "res_at": 1788788963, "skeleton": "WXITXQRDONHEGL", "hf_user": "Bio-JS", "display_name": "0907-S1-07", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········2)CC1", "total": 24.668, "axes": {"activity": 13.28, "binding": 3.96, "selectivity": 0.49, "admet": 2.16, "novelty": 2.72, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.397, "fraction": 0.443}, "binding": {"pIC50": 5.81, "LE": 0.221, "potency_term": 0.269, "efficiency_cap": 0.737}, "selectivity": {"fold": 1.5, "selectivity_term": 0.092, "target_engagement": 0.269}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.12, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.469, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.396823791792092, "aff_pf": 0.1937441031138102, "aff_hs": 0.3773682415485382, "repeats_pf": {"runs": 3, "values": [0.1372, 0.216, 0.2281], "mean": 0.1937, "spread": 0.0909}, "repeats_hs": {"runs": 3, "values": [0.356, 0.4448, 0.3313], "mean": 0.3774, "spread": 0.1134}, "at": 1788788963}, "tier": 1, "alerts": [], "total_sd": 0.242, "total_ci95": [24.313, 25.185], "relegate_reason": [], "submitted_at": 1788707679, "scored_at": 1788788963, "rank": 4521}, {"candidate_id": "ODC-F27C60", "res_at": 1786840964, "skeleton": "BLDJZMXIMPQPCE", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········C2)n1", "total": 24.667, "axes": {"activity": 11.26, "binding": 4.62, "selectivity": 1.36, "admet": 3.45, "novelty": 2.18, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.276, "fraction": 0.375}, "binding": {"pIC50": 5.69, "LE": 0.355, "potency_term": 0.231, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.231}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.988, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.529, "cyp3a4-substrate-carbonmangels": 0.554, "ld50-zhu": 0.549, "herg": 0.903, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "2", "pAct_q10": 5.275764886428001, "aff_pf": 0.30676976839701336, "aff_hs": 0.8974230686823527, "repeats_pf": {"runs": 3, "values": [0.2935, 0.2954, 0.3314], "mean": 0.3068, "spread": 0.0379}, "repeats_hs": {"runs": 3, "values": [0.9152, 0.9031, 0.874], "mean": 0.8974, "spread": 0.0412}, "at": 1786840964}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805793, "scored_at": 1786840964, "alerts": [], "rank": 4522}, {"candidate_id": "ODC-C86890", "res_at": 1787290770, "skeleton": "SKXLPUMSFFLXHS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········)cc1F", "total": 24.661, "axes": {"activity": 10.22, "binding": 7.4, "selectivity": 0.0, "admet": 3.08, "novelty": 2.63, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.213, "fraction": 0.341}, "binding": {"pIC50": 6.11, "LE": 0.322, "potency_term": 0.37, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.533, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.537, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 5.212918938851683, "aff_pf": -0.10988249629735947, "aff_hs": -0.4683000097672145, "repeats_pf": {"runs": 3, "values": [-0.0523, -0.1113, -0.1661], "mean": -0.1099, "spread": 0.1138}, "repeats_hs": {"runs": 3, "values": [-0.637, -0.6483, -0.1196], "mean": -0.4683, "spread": 0.5287}, "at": 1787290770}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286868, "scored_at": 1787290770, "alerts": [], "rank": 4523}, {"candidate_id": "ODC-AC6520", "res_at": 1786785912, "skeleton": "GHPOEGWQCSICTI", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.62, "axes": {"activity": 1.77, "binding": 9.92, "selectivity": 4.15, "admet": 3.9, "novelty": 2.93, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 4.389, "fraction": 0.059}, "binding": {"pIC50": 6.49, "LE": 0.356, "potency_term": 0.496, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.418, "target_engagement": 0.496}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.817, "cyp3a4-substrate-carbonmangels": 0.351, "ld50-zhu": 0.346, "herg": 0.443, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 4.389123462987264, "aff_pf": -0.4882107575734456, "aff_hs": 0.34835530320803326, "repeats_pf": {"runs": 3, "values": [-0.5013, -0.4926, -0.4707], "mean": -0.4882, "spread": 0.0306}, "repeats_hs": {"runs": 3, "values": [0.2495, 0.4009, 0.3946], "mean": 0.3484, "spread": 0.1514}, "at": 1786785912}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780873, "scored_at": 1786785912, "alerts": [], "rank": 4524}, {"candidate_id": "ODC-81BB84", "res_at": 1787359168, "skeleton": "YRLKGPSQRIHJJU", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.605, "axes": {"activity": 5.36, "binding": 9.31, "selectivity": 3.01, "admet": 3.17, "novelty": 1.95, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 4.922, "fraction": 0.179}, "binding": {"pIC50": 6.4, "LE": 0.313, "potency_term": 0.466, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.323, "target_engagement": 0.466}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.389, "ld50-zhu": 0.887, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 4.921682196878927, "aff_pf": -0.3965087831020355, "aff_hs": 0.24929137031237283, "repeats_pf": {"runs": 3, "values": [-0.4334, -0.4006, -0.3556], "mean": -0.3965, "spread": 0.0778}, "repeats_hs": {"runs": 3, "values": [0.2102, 0.2581, 0.2796], "mean": 0.2493, "spread": 0.0693}, "at": 1787359168}, "tier": 1, "relegate_reason": [], "submitted_at": 1787356727, "scored_at": 1787359168, "alerts": [], "rank": 4525}, {"candidate_id": "ODC-4B9E7C", "res_at": 1787277523, "skeleton": "NDZWUSWLMJPWIW", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 24.603, "axes": {"activity": 14.24, "binding": 2.0, "selectivity": 0.18, "admet": 3.71, "novelty": 2.82, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 5.31, "LE": 0.291, "potency_term": 0.103, "efficiency_cap": 0.97}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.103}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.32, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.57, "herg": 0.491, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.454481438018713, "aff_pf": 0.6911420623461405, "aff_hs": 0.8635574777921041, "repeats_pf": {"runs": 3, "values": [0.6886, 0.6667, 0.7181], "mean": 0.6911, "spread": 0.0514}, "repeats_hs": {"runs": 3, "values": [0.8723, 0.8922, 0.8262], "mean": 0.8636, "spread": 0.066}, "at": 1787277523}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276060, "scored_at": 1787277523, "alerts": [], "rank": 4526}, {"candidate_id": "ODC-FD3FCF", "res_at": 1788792686, "skeleton": "YPANBGZEQQIZQX", "hf_user": "Bio-JS", "display_name": "0907-S1-13", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 24.597, "axes": {"activity": 14.16, "binding": 2.2, "selectivity": 0.21, "admet": 2.8, "novelty": 3.0, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.449, "fraction": 0.472}, "binding": {"pIC50": 5.43, "LE": 0.232, "potency_term": 0.142, "efficiency_cap": 0.774}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.142}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.408, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.449466757985789, "aff_pf": 0.5740848183631897, "aff_hs": 0.723305364449819, "repeats_pf": {"runs": 3, "values": [0.5894, 0.5616, 0.5712], "mean": 0.5741, "spread": 0.0278}, "repeats_hs": {"runs": 3, "values": [0.7729, 0.622, 0.7751], "mean": 0.7233, "spread": 0.1531}, "at": 1788792686}, "tier": 1, "alerts": [], "total_sd": 0.078, "total_ci95": [24.453, 24.741], "relegate_reason": [], "submitted_at": 1788707714, "scored_at": 1788792686, "rank": 4527}, {"candidate_id": "ODC-BFC44A", "res_at": 1789078293, "skeleton": "BBVQJODHRCKDSD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CCC··········F)cc1", "total": 24.588, "axes": {"activity": 14.17, "binding": 1.3, "selectivity": 0.0, "admet": 3.92, "novelty": 3.36, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.45, "fraction": 0.472}, "binding": {"pIC50": 4.95, "LE": 0.219, "potency_term": 0.089, "efficiency_cap": 0.73}, "selectivity": {"fold": 1.4, "selectivity_term": 0.079, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.969, "cyp3a4-substrate-carbonmangels": 0.213, "ld50-zhu": 0.768, "herg": 0.05, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.450244056582818, "aff_pf": 1.0459864536921184, "aff_hs": 1.2047825654347737, "repeats_pf": {"runs": 3, "values": [0.849, 0.9979, 1.291], "mean": 1.046, "spread": 0.4419}, "repeats_hs": {"runs": 3, "values": [1.2574, 1.0097, 1.3472], "mean": 1.2048, "spread": 0.3375}, "at": 1789078293}, "tier": 1, "alerts": [], "total_sd": 0.467, "total_ci95": [23.299, 24.588], "relegate_reason": [], "submitted_at": 1789046035, "scored_at": 1789078293, "rank": 4528}, {"candidate_id": "ODC-2B353B", "res_at": 1787085381, "skeleton": "YBULJZNCECLEES", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 24.585, "axes": {"activity": 8.93, "binding": 7.81, "selectivity": 1.92, "admet": 1.47, "novelty": 2.66, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.136, "fraction": 0.298}, "binding": {"pIC50": 6.24, "LE": 0.285, "potency_term": 0.412, "efficiency_cap": 0.949}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.933, "ld50-zhu": 0.572, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.135570143762602, "aff_pf": -0.23503348231315613, "aff_hs": 0.23244431614875793, "repeats_pf": {"runs": 3, "values": [-0.3549, -0.2652, -0.085], "mean": -0.235, "spread": 0.2699}, "repeats_hs": {"runs": 3, "values": [0.3491, 0.0679, 0.2803], "mean": 0.2324, "spread": 0.2812}, "at": 1787085381}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074143, "scored_at": 1787085381, "alerts": [], "rank": 4529}, {"candidate_id": "ODC-EC89A1", "res_at": 1787166497, "skeleton": "PTBAXSCLSYJEEV", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=S(=O)(NCc1ccccc1-c1cc2[nH]cnc2cc1-c1ccccc1C(F)(F)F)c1ccccc1", "smiles_masked": null, "total": 24.585, "axes": {"activity": 15.48, "binding": 0.82, "selectivity": 0.0, "admet": 2.2, "novelty": 3.54, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.529, "fraction": 0.516}, "binding": {"pIC50": 4.84, "LE": 0.184, "potency_term": 0.067, "efficiency_cap": 0.614}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.528833457800369, "aff_pf": 1.1608066161473591, "aff_hs": 1.864507516225179, "repeats_pf": {"runs": 3, "values": [1.018, 1.2128, 1.2515], "mean": 1.1608, "spread": 0.2335}, "repeats_hs": {"runs": 3, "values": [1.6883, 2.0048, 1.9005], "mean": 1.8645, "spread": 0.3165}, "at": 1787166497}, "tier": 1, "relegate_reason": [], "submitted_at": 1787157702, "scored_at": 1787166497, "alerts": [], "rank": 4530}, {"candidate_id": "ODC-CB1EA4", "res_at": 1789959382, "skeleton": "XLMOJDLCAPXGPS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CCCC1", "total": 24.578, "axes": {"activity": 12.75, "binding": 3.47, "selectivity": 0.0, "admet": 3.83, "novelty": 2.95, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.365, "fraction": 0.425}, "binding": {"pIC50": 5.72, "LE": 0.218, "potency_term": 0.239, "efficiency_cap": 0.725}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.239}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.595, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 0.997, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.809, "herg": 0.05, "dili": 0.482}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "2", "pAct_q10": 5.364829606718291, "aff_pf": 0.2817620833714803, "aff_hs": 0.012800158311923346, "repeats_pf": {"runs": 3, "values": [0.4388, -0.1511, 0.5575], "mean": 0.2818, "spread": 0.7086}, "repeats_hs": {"runs": 3, "values": [-0.0955, 0.1533, -0.0194], "mean": 0.0128, "spread": 0.2488}, "at": 1789959382}, "tier": 1, "alerts": [], "total_sd": 1.012, "total_ci95": [23.141, 27.501], "relegate_reason": [], "submitted_at": 1789863723, "scored_at": 1789959382, "rank": 4531}, {"candidate_id": "ODC-7DAAFC", "res_at": 1789607883, "skeleton": "JEJITKHNDPBJOU", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCN(N)··········nc2n1", "total": 24.576, "axes": {"activity": 12.01, "binding": 5.89, "selectivity": 0.77, "admet": 2.12, "novelty": 2.79, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 6.08, "LE": 0.245, "potency_term": 0.36, "efficiency_cap": 0.817}, "selectivity": {"fold": 1.6, "selectivity_term": 0.107, "target_engagement": 0.36}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.228, "hia-hou": 0.934, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.392, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.59, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "0", "pAct_q10": 5.32074942521215, "aff_pf": -0.08110923071702321, "aff_hs": 0.13251677652200064, "repeats_pf": {"runs": 3, "values": [0.0467, -0.2109, -0.0791], "mean": -0.0811, "spread": 0.2577}, "repeats_hs": {"runs": 3, "values": [0.217, 0.1075, 0.0731], "mean": 0.1325, "spread": 0.1439}, "at": 1789607883}, "tier": 1, "alerts": [], "total_sd": 0.734, "total_ci95": [23.237, 26.187], "relegate_reason": [], "submitted_at": 1789606776, "scored_at": 1789607883, "rank": 4532}, {"candidate_id": "ODC-08E68D", "res_at": 1789952900, "skeleton": "ZAPYIMKPFRXZEY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 24.574, "axes": {"activity": 13.93, "binding": 2.64, "selectivity": 0.42, "admet": 2.64, "novelty": 3.29, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.436, "fraction": 0.464}, "binding": {"pIC50": 5.57, "LE": 0.206, "potency_term": 0.192, "efficiency_cap": 0.688}, "selectivity": {"fold": 1.7, "selectivity_term": 0.111, "target_engagement": 0.192}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.989, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.272}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 5.43570062818223, "aff_pf": 0.4251083085934321, "aff_hs": 0.6462216873963674, "repeats_pf": {"runs": 3, "values": [0.9588, 0.1787, 0.1378], "mean": 0.4251, "spread": 0.8209}, "repeats_hs": {"runs": 3, "values": [0.2271, 0.8145, 0.8971], "mean": 0.6462, "spread": 0.67}, "at": 1789952900}, "tier": 1, "alerts": [], "total_sd": 1.477, "total_ci95": [22.827, 27.406], "relegate_reason": [], "submitted_at": 1789863563, "scored_at": 1789952900, "rank": 4533}, {"candidate_id": "ODC-D879F5", "res_at": 1786957437, "skeleton": "IQAIXLUNQPKVIY", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.566, "axes": {"activity": 9.63, "binding": 7.42, "selectivity": 2.93, "admet": 1.54, "novelty": 1.19, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.178, "fraction": 0.321}, "binding": {"pIC50": 6.12, "LE": 0.299, "potency_term": 0.372, "efficiency_cap": 0.997}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.549, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.522, "ld50-zhu": 0.307, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "2", "pAct_q10": 5.178009640742218, "aff_pf": -0.11581973234812419, "aff_hs": 0.6722801129023234, "repeats_pf": {"runs": 3, "values": [-0.0411, -0.0976, -0.2087], "mean": -0.1158, "spread": 0.1676}, "repeats_hs": {"runs": 3, "values": [0.6036, 0.7075, 0.7058], "mean": 0.6723, "spread": 0.104}, "at": 1786957437}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956467, "scored_at": 1786957437, "alerts": [], "rank": 4534}, {"candidate_id": "ODC-838A92", "res_at": 1787196914, "skeleton": "AOBYTWFTGLEIPF", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 24.561, "axes": {"activity": 11.77, "binding": 5.44, "selectivity": 1.01, "admet": 2.37, "novelty": 2.12, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.306, "fraction": 0.392}, "binding": {"pIC50": 5.82, "LE": 0.306, "potency_term": 0.272, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.186, "target_engagement": 0.272}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.965, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.731, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.3062482099532176, "aff_pf": 0.18375412623087564, "aff_hs": 0.5547908941904703, "repeats_pf": {"runs": 3, "values": [0.2076, 0.1772, 0.1664], "mean": 0.1838, "spread": 0.0412}, "repeats_hs": {"runs": 3, "values": [0.6413, 0.5043, 0.5187], "mean": 0.5548, "spread": 0.137}, "at": 1787196914}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192522, "scored_at": 1787196914, "alerts": [], "rank": 4535}, {"candidate_id": "ODC-65F7D3", "res_at": 1787022923, "skeleton": "CCDLZRCGPGABEU", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc2c··········c2nn1", "total": 24.546, "axes": {"activity": 2.8, "binding": 7.7, "selectivity": 6.64, "admet": 2.78, "novelty": 2.76, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 4.572, "fraction": 0.093}, "binding": {"pIC50": 6.15, "LE": 0.422, "potency_term": 0.385, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.2, "selectivity_term": 0.863, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.135, "cyp3a4-substrate-carbonmangels": 0.634, "ld50-zhu": 0.331, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 4.571798783386192, "aff_pf": -0.1547506401936213, "aff_hs": 1.5714893341064453, "repeats_pf": {"runs": 3, "values": [-0.2322, -0.0566, -0.1754], "mean": -0.1548, "spread": 0.1757}, "repeats_hs": {"runs": 3, "values": [1.5717, 1.5964, 1.5464], "mean": 1.5715, "spread": 0.05}, "at": 1787022923}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021517, "scored_at": 1787022923, "alerts": [], "rank": 4536}, {"candidate_id": "ODC-8A9B19", "res_at": 1789553385, "skeleton": "BPMPTQGMPXFPRE", "hf_user": "Bio-JS", "display_name": "0916-S1-div21", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1Cl", "total": 24.541, "axes": {"activity": 8.03, "binding": 7.56, "selectivity": 1.54, "admet": 3.48, "novelty": 2.23, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.082, "fraction": 0.268}, "binding": {"pIC50": 6.13, "LE": 0.382, "potency_term": 0.378, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.378}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.906, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.519, "herg": 0.879, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.081979159166755, "aff_pf": -0.13448165853818259, "aff_hs": 0.2729994108279546, "repeats_pf": {"runs": 3, "values": [-0.0657, -0.2046, -0.1331], "mean": -0.1345, "spread": 0.1388}, "repeats_hs": {"runs": 3, "values": [0.1901, 0.4622, 0.1667], "mean": 0.273, "spread": 0.2955}, "at": 1789553385}, "tier": 1, "alerts": [], "total_sd": 0.694, "total_ci95": [23.313, 25.874], "relegate_reason": [], "submitted_at": 1789526896, "scored_at": 1789553385, "rank": 4537}, {"candidate_id": "ODC-501017", "res_at": 1786846945, "skeleton": "NMQYYWFRBQDBFH", "hf_user": "ALEX32321", "display_name": "ALEXAI-Final8-V8-CoreCF3", "model_name": "OpenCrab-ALEXAI final-8 benchmark v0.4", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 24.531, "axes": {"activity": 12.03, "binding": 3.95, "selectivity": 0.94, "admet": 3.46, "novelty": 2.46, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 5.59, "LE": 0.319, "potency_term": 0.197, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.238, "target_engagement": 0.197}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.765, "cyp3a4-substrate-carbonmangels": 0.789, "ld50-zhu": 0.692, "herg": 0.28, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "2", "pAct_q10": 5.3219971262746295, "aff_pf": 0.40823320547739667, "aff_hs": 0.8850298921267191, "repeats_pf": {"runs": 3, "values": [0.2798, 0.4287, 0.5161], "mean": 0.4082, "spread": 0.2363}, "repeats_hs": {"runs": 3, "values": [0.705, 0.9562, 0.9939], "mean": 0.885, "spread": 0.2889}, "at": 1786846945}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837567, "scored_at": 1786846945, "alerts": [], "rank": 4538}, {"candidate_id": "ODC-2EAFAA", "res_at": 1788983540, "skeleton": "LOCIYHNXPSNJAV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········cc1Cl", "total": 24.523, "axes": {"activity": 9.92, "binding": 6.21, "selectivity": 1.76, "admet": 2.77, "novelty": 2.2, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.331}, "binding": {"pIC50": 5.93, "LE": 0.369, "potency_term": 0.311, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.311}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.963, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.901, "cyp2c9-veith": 0.502, "cyp3a4-substrate-carbonmangels": 0.492, "ld50-zhu": 0.287, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.19521072512883, "aff_pf": 0.06837351620197296, "aff_hs": 0.6352399190266927, "repeats_pf": {"runs": 3, "values": [0.0609, 0.1045, 0.0397], "mean": 0.0684, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [0.545, 0.5786, 0.7822], "mean": 0.6352, "spread": 0.2372}, "at": 1788983540}, "tier": 1, "alerts": [], "total_sd": 0.281, "total_ci95": [24.033, 25.077], "relegate_reason": [], "submitted_at": 1788978260, "scored_at": 1788983540, "rank": 4539}, {"candidate_id": "ODC-23EF6A", "res_at": 1787375092, "skeleton": "MFPUSPJQQGDATI", "hf_user": "1Dmeds", "display_name": "ODC26-G04", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 24.503, "axes": {"activity": 15.69, "binding": 0.54, "selectivity": 0.0, "admet": 2.12, "novelty": 3.72, "synthesis": 2.43}, "detail": {"activity": {"pAct_q10": 5.542, "fraction": 0.523}, "binding": {"pIC50": 5.12, "LE": 0.2, "potency_term": 0.041, "efficiency_cap": 0.668}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.041}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.827, "herg": 0.05, "dili": 0.392}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.541538304140042, "aff_pf": 0.8777887225151062, "aff_hs": 0.8691524863243103, "repeats_pf": {"runs": 3, "values": [0.8274, 0.9394, 0.8666], "mean": 0.8778, "spread": 0.1121}, "repeats_hs": {"runs": 3, "values": [0.7247, 0.9219, 0.9609], "mean": 0.8692, "spread": 0.2363}, "at": 1787375092}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372662, "scored_at": 1787375092, "alerts": [], "rank": 4540}, {"candidate_id": "ODC-326DAE", "res_at": 1787230359, "skeleton": "MICHIQMHUOWVKK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········(C)C1", "total": 24.482, "axes": {"activity": 10.88, "binding": 7.94, "selectivity": 0.0, "admet": 1.78, "novelty": 2.57, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.253, "fraction": 0.363}, "binding": {"pIC50": 6.42, "LE": 0.251, "potency_term": 0.474, "efficiency_cap": 0.838}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.825}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.2530461392665275, "aff_pf": -0.4208616415659587, "aff_hs": -0.7055662870407104, "repeats_pf": {"runs": 3, "values": [-0.1285, -0.7778, -0.3563], "mean": -0.4209, "spread": 0.6492}, "repeats_hs": {"runs": 3, "values": [-0.7279, -0.7597, -0.6291], "mean": -0.7056, "spread": 0.1306}, "at": 1787230359}, "tier": 1, "relegate_reason": [], "submitted_at": 1787228784, "scored_at": 1787230359, "alerts": [], "rank": 4541}, {"candidate_id": "ODC-6F61FC", "res_at": 1787459714, "skeleton": "AARTTYPVTDTLJY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········C1CC1", "total": 24.459, "axes": {"activity": 6.11, "binding": 8.92, "selectivity": 1.44, "admet": 4.11, "novelty": 2.55, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 4.967, "fraction": 0.204}, "binding": {"pIC50": 6.34, "LE": 0.31, "potency_term": 0.446, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.161, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.615, "per_endpoint": {"solubility-aqsoldb": 0.535, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.677, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.815, "herg": 0.469, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.93}}, "run": {"gpu": "3", "pAct_q10": 4.966814194435402, "aff_pf": -0.3386394182840983, "aff_hs": -0.01651926835378011, "repeats_pf": {"runs": 3, "values": [-0.2897, -0.3335, -0.3928], "mean": -0.3386, "spread": 0.1031}, "repeats_hs": {"runs": 3, "values": [-0.0386, -0.0231, 0.0121], "mean": -0.0165, "spread": 0.0507}, "at": 1787459714}, "tier": 1, "relegate_reason": [], "submitted_at": 1787459166, "scored_at": 1787459714, "alerts": [], "rank": 4542}, {"candidate_id": "ODC-8BBD4A", "res_at": 1787298106, "skeleton": "HMMVFFPZLZWJKK", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2CCCCC2)s1", "smiles_masked": null, "total": 24.45, "axes": {"activity": 12.38, "binding": 7.21, "selectivity": 0.27, "admet": 2.23, "novelty": 0.38, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 6.08, "LE": 0.32, "potency_term": 0.36, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.038, "target_engagement": 0.36}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.187, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.393, "herg": 0.05, "dili": 0.516}}, "novelty": {"max_tanimoto": 0.909, "novelty": 0.091}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.342695604045206, "aff_pf": -0.08083367658158143, "aff_hs": -0.0054382383823394775, "repeats_pf": {"runs": 3, "values": [-0.1816, -0.0468, -0.0141], "mean": -0.0808, "spread": 0.1675}, "repeats_hs": {"runs": 3, "values": [0.4009, -0.1647, -0.2525], "mean": -0.0054, "spread": 0.6534}, "at": 1787298106}, "tier": 1, "relegate_reason": [], "submitted_at": 1787297903, "scored_at": 1787298106, "alerts": [], "rank": 4543}, {"candidate_id": "ODC-1C6D51", "res_at": 1787079198, "skeleton": "CDPCIUNXXUKGLX", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Clc1cc(··········nc2n1", "total": 24.445, "axes": {"activity": 10.09, "binding": 5.28, "selectivity": 4.09, "admet": 1.14, "novelty": 2.46, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.206, "fraction": 0.336}, "binding": {"pIC50": 6.01, "LE": 0.235, "potency_term": 0.336, "efficiency_cap": 0.784}, "selectivity": {"fold": 16.4, "selectivity_term": 0.608, "target_engagement": 0.336}, "admet": {"geometric_mean": 0.227, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.367, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.446, "ld50-zhu": 0.162, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 5.205572275452671, "aff_pf": -0.009473842879136404, "aff_hs": 1.2057557503382366, "repeats_pf": {"runs": 3, "values": [-0.0703, -0.0627, 0.1046], "mean": -0.0095, "spread": 0.1749}, "repeats_hs": {"runs": 3, "values": [1.2069, 1.2941, 1.1162], "mean": 1.2058, "spread": 0.1779}, "at": 1787079198}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067205, "scored_at": 1787079198, "alerts": [], "rank": 4544}, {"candidate_id": "ODC-6B3945", "res_at": 1789487420, "skeleton": "ZDPPYAMOCYMGMJ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "NCCCc1c··········Cl)c1", "total": 24.428, "axes": {"activity": 5.12, "binding": 7.83, "selectivity": 4.02, "admet": 2.79, "novelty": 2.71, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 4.907, "fraction": 0.171}, "binding": {"pIC50": 6.18, "LE": 0.352, "potency_term": 0.392, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.513, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.544, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.716, "ld50-zhu": 0.46, "herg": 0.242, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "0", "pAct_q10": 4.907040391452765, "aff_pf": -0.17506341139475504, "aff_hs": 0.8510093092918396, "repeats_pf": {"runs": 3, "values": [-0.358, 0.0533, -0.2205], "mean": -0.1751, "spread": 0.4113}, "repeats_hs": {"runs": 3, "values": [0.7432, 1.0444, 0.7654], "mean": 0.851, "spread": 0.3013}, "at": 1789487420}, "tier": 1, "alerts": [], "total_sd": 1.982, "total_ci95": [19.978, 28.126], "relegate_reason": [], "submitted_at": 1789483937, "scored_at": 1789487420, "rank": 4545}, {"candidate_id": "ODC-28BECA", "res_at": 1786891477, "skeleton": "FXUGNNVNPISQKG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 24.419, "axes": {"activity": 13.41, "binding": 2.88, "selectivity": 0.0, "admet": 2.81, "novelty": 3.33, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.405, "fraction": 0.447}, "binding": {"pIC50": 5.45, "LE": 0.287, "potency_term": 0.15, "efficiency_cap": 0.957}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.15}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.77, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.762, "herg": 0.05, "dili": 0.361}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 5.404573678881666, "aff_pf": 0.5485491156578064, "aff_hs": 0.4068610469500224, "repeats_pf": {"runs": 3, "values": [0.526, 0.537, 0.5826], "mean": 0.5485, "spread": 0.0565}, "repeats_hs": {"runs": 3, "values": [0.4713, 0.4621, 0.2871], "mean": 0.4069, "spread": 0.1842}, "at": 1786891477}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877931, "scored_at": 1786891477, "alerts": [], "rank": 4546}, {"candidate_id": "ODC-417863", "res_at": 1789913715, "skeleton": "CSEGFPIFOFYFDO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 24.411, "axes": {"activity": 13.07, "binding": 3.72, "selectivity": 0.0, "admet": 2.73, "novelty": 3.13, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 5.78, "LE": 0.214, "potency_term": 0.26, "efficiency_cap": 0.714}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.26}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.053, "cyp2c9-veith": 0.831, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.873, "herg": 0.05, "dili": 0.366}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.384142138127248, "aff_pf": 0.21881764630476633, "aff_hs": -0.08159179550906022, "repeats_pf": {"runs": 3, "values": [0.0998, 0.2308, 0.3258], "mean": 0.2188, "spread": 0.226}, "repeats_hs": {"runs": 3, "values": [-0.0204, -0.0434, -0.181], "mean": -0.0816, "spread": 0.1606}, "at": 1789913715}, "tier": 1, "alerts": [], "total_sd": 0.284, "total_ci95": [23.843, 24.823], "relegate_reason": [], "submitted_at": 1789863467, "scored_at": 1789913715, "rank": 4547}, {"candidate_id": "ODC-D0EC84", "res_at": 1787370184, "skeleton": "KGZSUSXPUPKFSO", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 24.406, "axes": {"activity": 12.55, "binding": 3.51, "selectivity": 0.3, "admet": 3.52, "novelty": 3.04, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 5.56, "LE": 0.282, "potency_term": 0.187, "efficiency_cap": 0.94}, "selectivity": {"fold": 1.4, "selectivity_term": 0.079, "target_engagement": 0.187}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 0.924, "pgp-broccatelli": 0.956, "cyp2c9-veith": 0.927, "cyp3a4-substrate-carbonmangels": 0.093, "ld50-zhu": 0.807, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "3", "pAct_q10": 5.353224498986807, "aff_pf": 0.4400390088558197, "aff_hs": 0.5983944535255432, "repeats_pf": {"runs": 3, "values": [0.4954, 0.4107, 0.414], "mean": 0.44, "spread": 0.0847}, "repeats_hs": {"runs": 3, "values": [0.6174, 0.5554, 0.6224], "mean": 0.5984, "spread": 0.067}, "at": 1787370184}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364899, "scored_at": 1787370184, "alerts": [], "rank": 4548}, {"candidate_id": "ODC-321E33", "res_at": 1787376875, "skeleton": "SOGDRWFKIAMTKP", "hf_user": "1Dmeds", "display_name": "ODC26-G12", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 24.405, "axes": {"activity": 15.04, "binding": 1.27, "selectivity": 0.0, "admet": 2.21, "novelty": 3.41, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.502, "fraction": 0.501}, "binding": {"pIC50": 4.97, "LE": 0.206, "potency_term": 0.093, "efficiency_cap": 0.688}, "selectivity": {"fold": 3.5, "selectivity_term": 0.275, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.128, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.815, "herg": 0.05, "dili": 0.564}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.5021102929044865, "aff_pf": 1.03042999903361, "aff_hs": 1.579978624979655, "repeats_pf": {"runs": 3, "values": [0.6971, 1.3262, 1.068], "mean": 1.0304, "spread": 0.629}, "repeats_hs": {"runs": 3, "values": [1.5796, 1.5341, 1.6263], "mean": 1.58, "spread": 0.0921}, "at": 1787376875}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372721, "scored_at": 1787376875, "alerts": [], "rank": 4549}, {"candidate_id": "ODC-34DAD3", "res_at": 1789540775, "skeleton": "FQZZCTZMBGQEGD", "hf_user": "Bio-JS", "display_name": "0916-S1-div02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1OC", "total": 24.382, "axes": {"activity": 9.91, "binding": 6.19, "selectivity": 2.51, "admet": 2.5, "novelty": 1.82, "synthesis": 1.44}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 5.93, "LE": 0.312, "potency_term": 0.309, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.48, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.818, "cyp3a4-substrate-carbonmangels": 0.166, "ld50-zhu": 0.36, "herg": 0.457, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.194611894936579, "aff_pf": 0.07189009586970012, "aff_hs": 0.8841593464215597, "repeats_pf": {"runs": 3, "values": [0.0777, 0.1073, 0.0307], "mean": 0.0719, "spread": 0.0766}, "repeats_hs": {"runs": 3, "values": [0.8468, 0.9618, 0.8439], "mean": 0.8842, "spread": 0.1178}, "at": 1789540775}, "tier": 1, "alerts": [], "total_sd": 0.255, "total_ci95": [23.947, 24.904], "relegate_reason": [], "submitted_at": 1789526716, "scored_at": 1789540775, "rank": 4550}, {"candidate_id": "ODC-C538FA", "res_at": 1786946597, "skeleton": "QQHDJNHZKMIVBX", "hf_user": "takutoyo", "display_name": "PfD-03", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 24.381, "axes": {"activity": 12.24, "binding": 3.35, "selectivity": 1.18, "admet": 2.82, "novelty": 2.78, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.408}, "binding": {"pIC50": 5.54, "LE": 0.281, "potency_term": 0.179, "efficiency_cap": 0.936}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.179}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.795, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.897, "cyp2c9-veith": 0.128, "cyp3a4-substrate-carbonmangels": 0.821, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "2", "pAct_q10": 5.334698318643879, "aff_pf": 0.46333903074264526, "aff_hs": 1.1249608993530273, "repeats_pf": {"runs": 3, "values": [0.4393, 0.4468, 0.5039], "mean": 0.4633, "spread": 0.0646}, "repeats_hs": {"runs": 3, "values": [1.1613, 1.0601, 1.1536], "mean": 1.125, "spread": 0.1012}, "at": 1786946597}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935196, "scored_at": 1786946597, "alerts": [], "rank": 4551}, {"candidate_id": "ODC-7E11DE", "res_at": 1788782325, "skeleton": "SNLCFCNAMFFKCP", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Hermes Agent + RDKit MPO Pipeline", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NS(··········cc2c1", "total": 24.369, "axes": {"activity": 6.22, "binding": 7.21, "selectivity": 4.25, "admet": 2.6, "novelty": 2.29, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 4.973, "fraction": 0.207}, "binding": {"pIC50": 6.08, "LE": 0.32, "potency_term": 0.361, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.1, "selectivity_term": 0.589, "target_engagement": 0.361}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.551, "herg": 0.346, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 4.972901111640176, "aff_pf": -0.08223923047383626, "aff_hs": 1.0952995618184407, "repeats_pf": {"runs": 3, "values": [0.0402, -0.2937, 0.0068], "mean": -0.0822, "spread": 0.3338}, "repeats_hs": {"runs": 3, "values": [1.0601, 1.2262, 0.9996], "mean": 1.0953, "spread": 0.2265}, "at": 1788782325}, "tier": 1, "alerts": [], "total_sd": 1.703, "total_ci95": [21.924, 28.589], "relegate_reason": [], "submitted_at": 1788705569, "scored_at": 1788782325, "rank": 4552}, {"candidate_id": "ODC-3195B6", "res_at": 1789230854, "skeleton": "YFOOSRYGVAVJAV", "hf_user": "Bio-JS", "display_name": "0913-S1-div07", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 24.356, "axes": {"activity": 12.62, "binding": 3.8, "selectivity": 0.47, "admet": 3.5, "novelty": 2.18, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.421}, "binding": {"pIC50": 5.57, "LE": 0.332, "potency_term": 0.19, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.944, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.317, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.357498652649734, "aff_pf": 0.4300265113512675, "aff_hs": 0.6752628485361735, "repeats_pf": {"runs": 3, "values": [0.3638, 0.4924, 0.4339], "mean": 0.43, "spread": 0.1286}, "repeats_hs": {"runs": 3, "values": [0.6637, 0.7287, 0.6334], "mean": 0.6753, "spread": 0.0953}, "at": 1789230854}, "tier": 1, "alerts": [], "total_sd": 0.297, "total_ci95": [23.837, 24.992], "relegate_reason": [], "submitted_at": 1789226299, "scored_at": 1789230854, "rank": 4553}, {"candidate_id": "ODC-A34A00", "res_at": 1787225109, "skeleton": "YZYOMTHEFFHPAM", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 24.353, "axes": {"activity": 10.99, "binding": 8.81, "selectivity": 0.0, "admet": 2.18, "novelty": 0.62, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.259, "fraction": 0.366}, "binding": {"pIC50": 6.4, "LE": 0.283, "potency_term": 0.467, "efficiency_cap": 0.943}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.467}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.34, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.288}}, "novelty": {"max_tanimoto": 0.86, "novelty": 0.14}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.259331063558845, "aff_pf": -0.40084226926167804, "aff_hs": -1.3089888095855713, "repeats_pf": {"runs": 3, "values": [-0.443, -0.4212, -0.3383], "mean": -0.4008, "spread": 0.1048}, "repeats_hs": {"runs": 3, "values": [-1.3476, -1.2786, -1.3007], "mean": -1.309, "spread": 0.069}, "at": 1787225109}, "tier": 1, "relegate_reason": [], "submitted_at": 1787220815, "scored_at": 1787225109, "alerts": [], "rank": 4554}, {"candidate_id": "ODC-3777D4", "res_at": 1788858570, "skeleton": "XKJXYJLBEDMSJL", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-18", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········sc2n1", "total": 24.352, "axes": {"activity": 9.53, "binding": 7.82, "selectivity": 0.0, "admet": 2.76, "novelty": 2.37, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 6.17, "LE": 0.384, "potency_term": 0.391, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.391}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.065, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.593, "herg": 0.924, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.171835972280032, "aff_pf": -0.1726136108239492, "aff_hs": -0.3395240406195323, "repeats_pf": {"runs": 3, "values": [-0.1959, -0.1411, -0.1808], "mean": -0.1726, "spread": 0.0549}, "repeats_hs": {"runs": 3, "values": [-0.3595, -0.3111, -0.3479], "mean": -0.3395, "spread": 0.0484}, "at": 1788858570}, "tier": 1, "alerts": [], "total_sd": 0.173, "total_ci95": [23.954, 24.646], "relegate_reason": [], "submitted_at": 1788856481, "scored_at": 1788858570, "rank": 4555}, {"candidate_id": "ODC-CC26F3", "res_at": 1786856992, "skeleton": "JNCUZIXXFJLQAC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 24.346, "axes": {"activity": 3.78, "binding": 9.65, "selectivity": 2.99, "admet": 3.7, "novelty": 2.5, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 4.827, "fraction": 0.126}, "binding": {"pIC50": 6.45, "LE": 0.327, "potency_term": 0.483, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.31, "target_engagement": 0.483}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.31, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.669, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 4.8269740907459155, "aff_pf": -0.4481383760770162, "aff_hs": 0.17112726469834647, "repeats_pf": {"runs": 3, "values": [-0.4552, -0.4572, -0.4321], "mean": -0.4481, "spread": 0.0251}, "repeats_hs": {"runs": 3, "values": [0.2406, 0.0868, 0.186], "mean": 0.1711, "spread": 0.1538}, "at": 1786856992}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849009, "scored_at": 1786856992, "alerts": [], "rank": 4556}, {"candidate_id": "ODC-3262AF", "res_at": 1787359793, "skeleton": "NYLOUKBJCLZBBN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.344, "axes": {"activity": 2.44, "binding": 8.9, "selectivity": 5.15, "admet": 3.72, "novelty": 2.26, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 4.517, "fraction": 0.081}, "binding": {"pIC50": 6.33, "LE": 0.347, "potency_term": 0.445, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.4, "selectivity_term": 0.579, "target_engagement": 0.445}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.952, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.482, "herg": 0.666, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 4.516933761007492, "aff_pf": -0.3348417480786641, "aff_hs": 0.8235308527946472, "repeats_pf": {"runs": 3, "values": [-0.2866, -0.3217, -0.3963], "mean": -0.3348, "spread": 0.1097}, "repeats_hs": {"runs": 3, "values": [0.7952, 0.8206, 0.8548], "mean": 0.8235, "spread": 0.0596}, "at": 1787359793}, "tier": 1, "relegate_reason": [], "submitted_at": 1787356755, "scored_at": 1787359793, "alerts": [], "rank": 4557}, {"candidate_id": "ODC-AFF228", "res_at": 1789917792, "skeleton": "HGQGJKHLFZOLKZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 24.328, "axes": {"activity": 12.01, "binding": 4.2, "selectivity": 2.34, "admet": 1.64, "novelty": 2.13, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 5.91, "LE": 0.208, "potency_term": 0.303, "efficiency_cap": 0.692}, "selectivity": {"fold": 5.9, "selectivity_term": 0.385, "target_engagement": 0.303}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 0.645, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.793, "ld50-zhu": 0.649, "herg": 0.05, "dili": 0.139}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "2", "pAct_q10": 5.320857728148038, "aff_pf": 0.08968065679073334, "aff_hs": 0.8600316246350607, "repeats_pf": {"runs": 3, "values": [0.2446, 0.4124, -0.388], "mean": 0.0897, "spread": 0.8004}, "repeats_hs": {"runs": 3, "values": [0.909, 0.8609, 0.8102], "mean": 0.86, "spread": 0.0988}, "at": 1789917792}, "tier": 1, "alerts": [], "total_sd": 2.16, "total_ci95": [21.635, 30.334], "relegate_reason": [], "submitted_at": 1789907180, "scored_at": 1789917792, "rank": 4558}, {"candidate_id": "ODC-856D90", "res_at": 1788142846, "skeleton": "AFROCDBVCHFELU", "hf_user": "Bio-JS", "display_name": "C1 피롤카복사마이드 벤질 CH2 제거", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(-c··········C1CC1", "total": 24.316, "axes": {"activity": 11.31, "binding": 6.62, "selectivity": 0.0, "admet": 3.21, "novelty": 1.3, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.377}, "binding": {"pIC50": 5.99, "LE": 0.357, "potency_term": 0.331, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.331}, "admet": {"geometric_mean": 0.568, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 0.523, "ld50-zhu": 0.672, "herg": 0.694, "dili": 0.209}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "3", "pAct_q10": 5.278480574218353, "aff_pf": 0.007194223503271739, "aff_hs": -0.06354127327601115, "repeats_pf": {"runs": 3, "values": [0.1202, -0.1259, 0.0272], "mean": 0.0072, "spread": 0.2461}, "repeats_hs": {"runs": 3, "values": [-0.1854, -0.0405, 0.0353], "mean": -0.0635, "spread": 0.2208}, "at": 1788142846}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [23.562, 25.342], "relegate_reason": [], "submitted_at": 1788139260, "scored_at": 1788142846, "rank": 4559}, {"candidate_id": "ODC-5D7A7B", "res_at": 1787328456, "skeleton": "IUDHLWZIMSRPKV", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1cc(C(F)(F)F)c(C(=O)NC2CC2)s1", "smiles_masked": null, "total": 24.29, "axes": {"activity": 12.19, "binding": 6.81, "selectivity": 0.0, "admet": 2.3, "novelty": 1.21, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 6.02, "LE": 0.306, "potency_term": 0.34, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.974, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.208, "ld50-zhu": 0.758, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.703, "novelty": 0.297}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.331257876851145, "aff_pf": -0.021008993188540142, "aff_hs": -0.9528366525967916, "repeats_pf": {"runs": 3, "values": [-0.1666, 0.0778, 0.0258], "mean": -0.021, "spread": 0.2444}, "repeats_hs": {"runs": 3, "values": [-0.9127, -1.018, -0.9278], "mean": -0.9528, "spread": 0.1052}, "at": 1787328456}, "tier": 1, "relegate_reason": [], "submitted_at": 1787326544, "scored_at": 1787328456, "alerts": [], "rank": 4560}, {"candidate_id": "ODC-7BE27F", "res_at": 1786930113, "skeleton": "YRDOPSBZXCXTLY", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 24.262, "axes": {"activity": 13.79, "binding": 0.87, "selectivity": 0.0, "admet": 4.29, "novelty": 3.02, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.427, "fraction": 0.46}, "binding": {"pIC50": 5.18, "LE": 0.222, "potency_term": 0.059, "efficiency_cap": 0.739}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.059}, "admet": {"geometric_mean": 0.622, "per_endpoint": {"solubility-aqsoldb": 0.528, "caco2-wang": 0.71, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.819, "cyp3a4-substrate-carbonmangels": 0.439, "ld50-zhu": 0.584, "herg": 0.05, "dili": 0.931}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.42719540350497, "aff_pf": 0.8227382302284241, "aff_hs": 0.6355632146199545, "repeats_pf": {"runs": 3, "values": [0.8551, 0.819, 0.7941], "mean": 0.8227, "spread": 0.0611}, "repeats_hs": {"runs": 3, "values": [0.6903, 0.6601, 0.5563], "mean": 0.6356, "spread": 0.134}, "at": 1786930113}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924595, "scored_at": 1786930113, "alerts": [], "rank": 4561}, {"candidate_id": "ODC-8C1ACF", "res_at": 1787035407, "skeleton": "PJTVGYQKYGTSBE", "hf_user": "epicsaga", "display_name": "PFD2-07", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········[nH]1", "total": 24.258, "axes": {"activity": 12.24, "binding": 4.61, "selectivity": 0.39, "admet": 2.84, "novelty": 2.12, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.408}, "binding": {"pIC50": 5.81, "LE": 0.257, "potency_term": 0.27, "efficiency_cap": 0.856}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.763, "cyp3a4-substrate-carbonmangels": 0.301, "ld50-zhu": 0.632, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.48, "novelty": 0.52}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "3", "pAct_q10": 5.3346957106477575, "aff_pf": 0.19113640983899435, "aff_hs": 0.3362671434879303, "repeats_pf": {"runs": 3, "values": [0.2023, 0.1453, 0.2258], "mean": 0.1911, "spread": 0.0804}, "repeats_hs": {"runs": 3, "values": [0.2599, 0.3165, 0.4324], "mean": 0.3363, "spread": 0.1724}, "at": 1787035407}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032564, "scored_at": 1787035407, "alerts": [], "rank": 4562}, {"candidate_id": "ODC-C807F7", "res_at": 1788465172, "skeleton": "FCQUYOHKAODPNN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········(C)c1", "total": 24.252, "axes": {"activity": 12.68, "binding": 4.03, "selectivity": 0.74, "admet": 2.11, "novelty": 3.03, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.361, "fraction": 0.423}, "binding": {"pIC50": 5.84, "LE": 0.216, "potency_term": 0.279, "efficiency_cap": 0.721}, "selectivity": {"fold": 1.8, "selectivity_term": 0.133, "target_engagement": 0.279}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.717, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.555, "cyp3a4-substrate-carbonmangels": 0.415, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.227}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 5.360710738536219, "aff_pf": 0.16161013146241507, "aff_hs": 0.4269450008869171, "repeats_pf": {"runs": 3, "values": [0.2163, 0.1402, 0.1283], "mean": 0.1616, "spread": 0.088}, "repeats_hs": {"runs": 3, "values": [0.4428, 0.4327, 0.4053], "mean": 0.4269, "spread": 0.0374}, "at": 1788465172}, "tier": 1, "alerts": [], "total_sd": 0.204, "total_ci95": [23.762, 24.562], "relegate_reason": [], "submitted_at": 1788394296, "scored_at": 1788465172, "rank": 4563}, {"candidate_id": "ODC-C73E05", "res_at": 1787036544, "skeleton": "HSTLLWCVINDJKA", "hf_user": "epicsaga", "display_name": "PFD2-04", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········cc2o1", "total": 24.248, "axes": {"activity": 14.04, "binding": 2.55, "selectivity": 0.0, "admet": 2.75, "novelty": 2.57, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 5.47, "LE": 0.242, "potency_term": 0.158, "efficiency_cap": 0.806}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.988, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 5.4421471001790795, "aff_pf": 0.5253646870454153, "aff_hs": 0.43288348118464154, "repeats_pf": {"runs": 3, "values": [0.0803, 0.4103, 1.0855], "mean": 0.5254, "spread": 1.0052}, "repeats_hs": {"runs": 3, "values": [0.4845, 0.3127, 0.5015], "mean": 0.4329, "spread": 0.1887}, "at": 1787036544}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032668, "scored_at": 1787036544, "alerts": [], "rank": 4564}, {"candidate_id": "ODC-367764", "res_at": 1787035976, "skeleton": "RNNFOCLPLUPYDP", "hf_user": "koreankat", "display_name": "koreankat", "model_name": "perplexity", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 24.238, "axes": {"activity": 7.82, "binding": 9.5, "selectivity": 1.46, "admet": 2.78, "novelty": 1.41, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.069, "fraction": 0.261}, "binding": {"pIC50": 6.53, "LE": 0.28, "potency_term": 0.51, "efficiency_cap": 0.932}, "selectivity": {"fold": 1.9, "selectivity_term": 0.144, "target_engagement": 0.51}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.467, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.982, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.703, "novelty": 0.297}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "3", "pAct_q10": 5.069008093454234, "aff_pf": -0.5294777353604635, "aff_hs": -0.24229266246159872, "repeats_pf": {"runs": 3, "values": [-0.5469, -0.5171, -0.5245], "mean": -0.5295, "spread": 0.0298}, "repeats_hs": {"runs": 3, "values": [-0.2452, -0.2898, -0.1919], "mean": -0.2423, "spread": 0.0979}, "at": 1787035976}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032624, "scored_at": 1787035976, "alerts": [], "rank": 4565}, {"candidate_id": "ODC-5C3AF5", "res_at": 1789206978, "skeleton": "UXHFNJZDRYXJEU", "hf_user": "Bio-JS", "display_name": "0912-S1-x2COC_anilCHF2F", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 24.236, "axes": {"activity": 11.14, "binding": 5.97, "selectivity": 0.9, "admet": 2.79, "novelty": 1.8, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 5.9, "LE": 0.337, "potency_term": 0.298, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.15, "target_engagement": 0.298}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.482, "cyp3a4-substrate-carbonmangels": 0.288, "ld50-zhu": 0.342, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.26820965160857, "aff_pf": 0.10496349322299163, "aff_hs": 0.40518643458684284, "repeats_pf": {"runs": 3, "values": [0.0879, 0.0185, 0.2085], "mean": 0.105, "spread": 0.19}, "repeats_hs": {"runs": 3, "values": [0.3379, 0.4983, 0.3793], "mean": 0.4052, "spread": 0.1604}, "at": 1789206978}, "tier": 1, "alerts": [], "total_sd": 0.457, "total_ci95": [23.274, 25.052], "relegate_reason": [], "submitted_at": 1789177535, "scored_at": 1789206978, "rank": 4566}, {"candidate_id": "ODC-4BB7DC", "res_at": 1790025400, "skeleton": "QXJQCPIYANLIPG", "hf_user": "Dinesh4311", "display_name": "Dinesh4311", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········F)c1F", "total": 24.232, "axes": {"activity": 14.07, "binding": 3.12, "selectivity": 0.0, "admet": 1.78, "novelty": 3.21, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.444, "fraction": 0.469}, "binding": {"pIC50": 5.62, "LE": 0.226, "potency_term": 0.207, "efficiency_cap": 0.755}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.207}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.467, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.823, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.444219159931362, "aff_pf": 0.38010914127031964, "aff_hs": 0.2189005414644877, "repeats_pf": {"runs": 3, "values": [0.3596, 0.4353, 0.3454], "mean": 0.3801, "spread": 0.0899}, "repeats_hs": {"runs": 3, "values": [0.2328, 0.2606, 0.1633], "mean": 0.2189, "spread": 0.0973}, "at": 1790025400}, "tier": 1, "alerts": [], "total_sd": 0.12, "total_ci95": [23.926, 24.427], "relegate_reason": [], "submitted_at": 1790013493, "scored_at": 1790025400, "rank": 4567}, {"candidate_id": "ODC-947197", "res_at": 1787167266, "skeleton": "FDFCKPBPCWBZRH", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 24.231, "axes": {"activity": 14.66, "binding": 1.66, "selectivity": 0.29, "admet": 2.34, "novelty": 2.85, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.48, "fraction": 0.489}, "binding": {"pIC50": 5.36, "LE": 0.21, "potency_term": 0.119, "efficiency_cap": 0.699}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.119}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.839, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.479726758935335, "aff_pf": 0.644382099310557, "aff_hs": 0.8886182904243469, "repeats_pf": {"runs": 3, "values": [0.6547, 0.5395, 0.739], "mean": 0.6444, "spread": 0.1995}, "repeats_hs": {"runs": 3, "values": [0.9488, 0.8639, 0.8532], "mean": 0.8886, "spread": 0.0956}, "at": 1787167266}, "tier": 1, "relegate_reason": [], "submitted_at": 1787159581, "scored_at": 1787167266, "alerts": [], "rank": 4568}, {"candidate_id": "ODC-493208", "res_at": 1787260937, "skeleton": "ZNXMRUFZLOUZKP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 24.223, "axes": {"activity": 12.9, "binding": 2.47, "selectivity": 1.15, "admet": 2.84, "novelty": 3.03, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.374, "fraction": 0.43}, "binding": {"pIC50": 5.54, "LE": 0.205, "potency_term": 0.181, "efficiency_cap": 0.684}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.532, "caco2-wang": 0.66, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.824, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.373860210301295, "aff_pf": 0.457651620109876, "aff_hs": 1.0935867230097454, "repeats_pf": {"runs": 3, "values": [0.6195, 0.2094, 0.544], "mean": 0.4577, "spread": 0.4101}, "repeats_hs": {"runs": 3, "values": [0.9707, 1.0945, 1.2156], "mean": 1.0936, "spread": 0.2449}, "at": 1787260937}, "tier": 1, "relegate_reason": [], "submitted_at": 1787260013, "scored_at": 1787260937, "alerts": [], "rank": 4569}, {"candidate_id": "ODC-CA78C3", "res_at": 1787371751, "skeleton": "BUZMUOJTOFQVKX", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········F)CC1", "total": 24.222, "axes": {"activity": 11.61, "binding": 5.24, "selectivity": 0.0, "admet": 3.6, "novelty": 2.97, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 5.297, "fraction": 0.387}, "binding": {"pIC50": 5.85, "LE": 0.277, "potency_term": 0.284, "efficiency_cap": 0.922}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.284}, "admet": {"geometric_mean": 0.62, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.997, "cyp2c9-veith": 0.956, "cyp3a4-substrate-carbonmangels": 0.218, "ld50-zhu": 0.875, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.55}}, "run": {"gpu": "3", "pAct_q10": 5.296830308845467, "aff_pf": 0.146902730067571, "aff_hs": -0.11394929140806198, "repeats_pf": {"runs": 3, "values": [0.1653, 0.0993, 0.1761], "mean": 0.1469, "spread": 0.0767}, "repeats_hs": {"runs": 3, "values": [-0.066, -0.1166, -0.1593], "mean": -0.1139, "spread": 0.0933}, "at": 1787371751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365062, "scored_at": 1787371751, "alerts": [], "rank": 4570}, {"candidate_id": "ODC-659114", "res_at": 1787053082, "skeleton": "VOSGYCNGDPUTTJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ncc(··········2)cn1", "total": 24.203, "axes": {"activity": 8.92, "binding": 8.13, "selectivity": 1.28, "admet": 1.15, "novelty": 2.92, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 6.38, "LE": 0.265, "potency_term": 0.46, "efficiency_cap": 0.883}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.188, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.332, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.091, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.135034478318801, "aff_pf": -0.3809449002146721, "aff_hs": -0.1026658018430074, "repeats_pf": {"runs": 3, "values": [-0.4656, -0.6046, -0.0727], "mean": -0.3809, "spread": 0.5319}, "repeats_hs": {"runs": 3, "values": [0.2795, -0.2671, -0.3203], "mean": -0.1027, "spread": 0.5998}, "at": 1787053082}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052136, "scored_at": 1787053082, "alerts": [], "rank": 4571}, {"candidate_id": "ODC-1FDA46", "res_at": 1788983731, "skeleton": "MIIKWLGVHPFMFL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(I··········cc1Br", "total": 24.193, "axes": {"activity": 11.46, "binding": 3.91, "selectivity": 0.79, "admet": 3.39, "novelty": 2.83, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 5.59, "LE": 0.348, "potency_term": 0.196, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.202, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.604, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.421, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.287432284868844, "aff_pf": 0.4132920404275258, "aff_hs": 0.8181647062301636, "repeats_pf": {"runs": 3, "values": [0.4201, 0.4154, 0.4043], "mean": 0.4133, "spread": 0.0158}, "repeats_hs": {"runs": 3, "values": [0.8351, 0.7765, 0.8428], "mean": 0.8182, "spread": 0.0663}, "at": 1788983731}, "tier": 1, "alerts": [], "total_sd": 0.052, "total_ci95": [24.098, 24.321], "relegate_reason": [], "submitted_at": 1788978268, "scored_at": 1788983731, "rank": 4572}, {"candidate_id": "ODC-6240F6", "res_at": 1787276573, "skeleton": "OHTNIXWIKLBKMC", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 24.173, "axes": {"activity": 12.37, "binding": 4.48, "selectivity": 0.0, "admet": 3.48, "novelty": 2.46, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 5.67, "LE": 0.299, "potency_term": 0.225, "efficiency_cap": 0.997}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.225}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.574, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.561, "herg": 0.367, "dili": 0.111}}, "novelty": {"max_tanimoto": 0.402, "novelty": 0.598}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "3", "pAct_q10": 5.342423641611472, "aff_pf": 0.32601747910181683, "aff_hs": -0.08471186459064484, "repeats_pf": {"runs": 3, "values": [0.323, 0.3275, 0.3276], "mean": 0.326, "spread": 0.0046}, "repeats_hs": {"runs": 3, "values": [-0.147, -0.0802, -0.0269], "mean": -0.0847, "spread": 0.1202}, "at": 1787276573}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276020, "scored_at": 1787276573, "alerts": [], "rank": 4573}, {"candidate_id": "ODC-68E1AA", "res_at": 1787378241, "skeleton": "HGJUTFZLURGMNK", "hf_user": "1Dmeds", "display_name": "ODC26-G19", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 24.17, "axes": {"activity": 14.82, "binding": 1.11, "selectivity": 0.0, "admet": 2.45, "novelty": 3.56, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 5.489, "fraction": 0.494}, "binding": {"pIC50": 4.91, "LE": 0.21, "potency_term": 0.079, "efficiency_cap": 0.7}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.662, "cyp3a4-substrate-carbonmangels": 0.057, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.856}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.489124195091139, "aff_pf": 1.0938164591789246, "aff_hs": 1.2035282055536907, "repeats_pf": {"runs": 3, "values": [1.1594, 0.9912, 1.1309], "mean": 1.0938, "spread": 0.1681}, "repeats_hs": {"runs": 3, "values": [1.1822, 1.1729, 1.2554], "mean": 1.2035, "spread": 0.0825}, "at": 1787378241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372772, "scored_at": 1787378241, "alerts": [], "rank": 4574}, {"candidate_id": "ODC-F538D7", "res_at": 1787377665, "skeleton": "JKVSDUIHXCWKSL", "hf_user": "1Dmeds", "display_name": "ODC26-G16", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 24.165, "axes": {"activity": 14.83, "binding": 0.83, "selectivity": 0.0, "admet": 2.71, "novelty": 3.43, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.49, "fraction": 0.494}, "binding": {"pIC50": 4.79, "LE": 0.212, "potency_term": 0.059, "efficiency_cap": 0.706}, "selectivity": {"fold": 2.8, "selectivity_term": 0.227, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.678, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.863, "herg": 0.05, "dili": 0.553}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.489547567811072, "aff_pf": 1.2099717855453491, "aff_hs": 1.6636375586191814, "repeats_pf": {"runs": 3, "values": [1.2114, 1.1993, 1.2192], "mean": 1.21, "spread": 0.0199}, "repeats_hs": {"runs": 3, "values": [1.7422, 1.4466, 1.8021], "mean": 1.6636, "spread": 0.3555}, "at": 1787377665}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372751, "scored_at": 1787377665, "alerts": [], "rank": 4575}, {"candidate_id": "ODC-B9DA62", "res_at": 1789590703, "skeleton": "MCUKRULVXQHLKD", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········COCC1", "total": 24.16, "axes": {"activity": 11.25, "binding": 6.53, "selectivity": 0.62, "admet": 1.69, "novelty": 2.76, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.275, "fraction": 0.375}, "binding": {"pIC50": 6.24, "LE": 0.237, "potency_term": 0.412, "efficiency_cap": 0.791}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.412}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.345, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.394, "ld50-zhu": 0.857, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 5.274776988565118, "aff_pf": -0.2373364120721817, "aff_hs": -0.08621720721324284, "repeats_pf": {"runs": 3, "values": [-0.2894, -0.2542, -0.1685], "mean": -0.2373, "spread": 0.1209}, "repeats_hs": {"runs": 3, "values": [-0.2342, -0.0266, 0.0022], "mean": -0.0862, "spread": 0.2364}, "at": 1789590703}, "tier": 1, "alerts": [], "total_sd": 0.4, "total_ci95": [23.412, 24.903], "relegate_reason": [], "submitted_at": 1789571990, "scored_at": 1789590703, "rank": 4576}, {"candidate_id": "ODC-AD94E0", "res_at": 1786840779, "skeleton": "NJCQUQPYKDJECZ", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cnc12", "total": 24.156, "axes": {"activity": 9.54, "binding": 7.67, "selectivity": 0.14, "admet": 2.48, "novelty": 2.49, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 6.15, "LE": 0.366, "potency_term": 0.383, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.383}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.98, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.145, "ld50-zhu": 0.572, "herg": 0.242, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 5.172353618728465, "aff_pf": -0.15029485275348028, "aff_hs": -0.11370110015074412, "repeats_pf": {"runs": 3, "values": [-0.0373, -0.3424, -0.0711], "mean": -0.1503, "spread": 0.3051}, "repeats_hs": {"runs": 3, "values": [-0.0598, -0.1696, -0.1117], "mean": -0.1137, "spread": 0.1099}, "at": 1786840779}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805790, "scored_at": 1786840779, "alerts": [], "rank": 4577}, {"candidate_id": "ODC-AB298D", "res_at": 1786884720, "skeleton": "VWOCCOAPKVWDHE", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nn2n1", "total": 24.149, "axes": {"activity": 12.87, "binding": 3.51, "selectivity": 0.11, "admet": 2.63, "novelty": 3.26, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 5.54, "LE": 0.292, "potency_term": 0.18, "efficiency_cap": 0.973}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.526, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.102, "cyp2c9-veith": 0.652, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.371907587123948, "aff_pf": 0.4589568078517914, "aff_hs": 0.5175212323665619, "repeats_pf": {"runs": 3, "values": [0.4728, 0.3468, 0.5573], "mean": 0.459, "spread": 0.2105}, "repeats_hs": {"runs": 3, "values": [0.5161, 0.5842, 0.4523], "mean": 0.5175, "spread": 0.1319}, "at": 1786884720}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878018, "scored_at": 1786884720, "alerts": [], "rank": 4578}, {"candidate_id": "ODC-AFB443", "res_at": 1786952636, "skeleton": "HAYJQWZPHDUAHH", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-02", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 24.135, "axes": {"activity": 12.86, "binding": 2.61, "selectivity": 0.58, "admet": 3.72, "novelty": 2.37, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 5.39, "LE": 0.321, "potency_term": 0.13, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.39, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.632, "herg": 0.728, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.371820256993837, "aff_pf": 0.6090579628944397, "aff_hs": 1.0572339296340942, "repeats_pf": {"runs": 3, "values": [0.6668, 0.6509, 0.5095], "mean": 0.6091, "spread": 0.1573}, "repeats_hs": {"runs": 3, "values": [1.091, 1.0148, 1.0659], "mean": 1.0572, "spread": 0.0762}, "at": 1786952636}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949069, "scored_at": 1786952636, "alerts": [], "rank": 4579}, {"candidate_id": "ODC-22F1B8", "res_at": 1789336124, "skeleton": "KZKQTLRZQYIELY", "hf_user": "trblnfxn", "display_name": "SEED-21-Benzothiazephene", "model_name": "Hermes-Hybrid-NonTP-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········32)s1", "total": 24.131, "axes": {"activity": 10.82, "binding": 5.26, "selectivity": 1.92, "admet": 2.43, "novelty": 1.89, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.361}, "binding": {"pIC50": 5.79, "LE": 0.361, "potency_term": 0.263, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.365, "target_engagement": 0.263}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.996, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.141, "cyp2c9-veith": 0.106, "cyp3a4-substrate-carbonmangels": 0.977, "ld50-zhu": 0.453, "herg": 0.05, "dili": 0.386}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "0", "pAct_q10": 5.249373776448696, "aff_pf": 0.21094814936319986, "aff_hs": 0.9417272806167603, "repeats_pf": {"runs": 3, "values": [0.2167, 0.2051, 0.2111], "mean": 0.2109, "spread": 0.0116}, "repeats_hs": {"runs": 3, "values": [1.0122, 0.9675, 0.8454], "mean": 0.9417, "spread": 0.1668}, "at": 1789336124}, "tier": 1, "alerts": [], "total_sd": 0.117, "total_ci95": [23.877, 24.323], "relegate_reason": [], "submitted_at": 1789327654, "scored_at": 1789336124, "rank": 4580}, {"candidate_id": "ODC-1FF5FE", "res_at": 1787896503, "skeleton": "DNFCZWUATMTJQQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-25", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 24.121, "axes": {"activity": 11.29, "binding": 6.56, "selectivity": 0.0, "admet": 2.32, "novelty": 2.34, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.376}, "binding": {"pIC50": 6.07, "LE": 0.277, "potency_term": 0.355, "efficiency_cap": 0.923}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.73, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.639, "herg": 0.144, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.277629134035295, "aff_pf": -0.06630340218544006, "aff_hs": -0.37383100390434265, "repeats_pf": {"runs": 3, "values": [-0.0306, -0.0902, -0.0781], "mean": -0.0663, "spread": 0.0596}, "repeats_hs": {"runs": 3, "values": [-0.4068, -0.3752, -0.3395], "mean": -0.3738, "spread": 0.0674}, "at": 1787896503}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841459, "scored_at": 1787896503, "alerts": [], "rank": 4581}, {"candidate_id": "ODC-8B0FE8", "res_at": 1789603343, "skeleton": "PIHYKMSQYCPODV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········F)c1N", "total": 24.119, "axes": {"activity": 13.7, "binding": 2.78, "selectivity": 0.56, "admet": 2.73, "novelty": 3.18, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.422, "fraction": 0.457}, "binding": {"pIC50": 5.56, "LE": 0.224, "potency_term": 0.186, "efficiency_cap": 0.747}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.186}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.348, "hia-hou": 0.832, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.661, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 4.2}}, "run": {"gpu": "0", "pAct_q10": 5.42202000045898, "aff_pf": 0.44132604201634723, "aff_hs": 0.7402137716611227, "repeats_pf": {"runs": 3, "values": [0.4923, 0.2945, 0.5372], "mean": 0.4413, "spread": 0.2427}, "repeats_hs": {"runs": 3, "values": [0.8508, 0.7302, 0.6396], "mean": 0.7402, "spread": 0.2112}, "at": 1789603343}, "tier": 1, "alerts": [], "total_sd": 0.528, "total_ci95": [23.312, 25.339], "relegate_reason": [], "submitted_at": 1789602979, "scored_at": 1789603343, "rank": 4582}, {"candidate_id": "ODC-333F66", "res_at": 1787242453, "skeleton": "GDZQRPNFVYCVQQ", "hf_user": "Ku-ku", "display_name": "N9_5H", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Sc··········cn2n1", "total": 24.111, "axes": {"activity": 14.58, "binding": 0.25, "selectivity": 0.0, "admet": 3.64, "novelty": 3.43, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 4.21, "LE": 0.275, "potency_term": 0.014, "efficiency_cap": 0.916}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.2, "cyp3a4-substrate-carbonmangels": 0.732, "ld50-zhu": 0.256, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.474913201994539, "aff_pf": 1.7898982365926106, "aff_hs": 1.4487647612889607, "repeats_pf": {"runs": 3, "values": [1.7949, 1.7562, 1.8186], "mean": 1.7899, "spread": 0.0624}, "repeats_hs": {"runs": 3, "values": [1.5368, 1.3414, 1.4681], "mean": 1.4488, "spread": 0.1954}, "at": 1787242453}, "tier": 1, "relegate_reason": [], "submitted_at": 1787238144, "scored_at": 1787242453, "alerts": [], "rank": 4583}, {"candidate_id": "ODC-598281", "res_at": 1786960796, "skeleton": "NNZJQBGETDTGNR", "hf_user": "PhD-Shin", "display_name": "PhD-Shin B6", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@H]··········C(C)C", "total": 24.108, "axes": {"activity": 4.42, "binding": 7.85, "selectivity": 4.0, "admet": 3.93, "novelty": 2.49, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 4.865, "fraction": 0.147}, "binding": {"pIC50": 6.41, "LE": 0.251, "potency_term": 0.47, "efficiency_cap": 0.836}, "selectivity": {"fold": 7.1, "selectivity_term": 0.425, "target_engagement": 0.47}, "admet": {"geometric_mean": 0.666, "per_endpoint": {"solubility-aqsoldb": 0.785, "caco2-wang": 0.468, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.28, "ld50-zhu": 0.512, "herg": 0.228, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 4.865000531596367, "aff_pf": -0.4087425669034322, "aff_hs": 0.44219863414764404, "repeats_pf": {"runs": 3, "values": [-0.3363, -0.4677, -0.4223], "mean": -0.4087, "spread": 0.1313}, "repeats_hs": {"runs": 3, "values": [0.4701, 0.2775, 0.5789], "mean": 0.4422, "spread": 0.3014}, "at": 1786960796}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958989, "scored_at": 1786960796, "alerts": [], "rank": 4584}, {"candidate_id": "ODC-C8E69D", "res_at": 1789434426, "skeleton": "HXKCUALLLCGNPB", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 24.106, "axes": {"activity": 11.56, "binding": 6.78, "selectivity": 0.17, "admet": 2.57, "novelty": 1.93, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.385}, "binding": {"pIC50": 6.1, "LE": 0.278, "potency_term": 0.365, "efficiency_cap": 0.928}, "selectivity": {"fold": 1.1, "selectivity_term": 0.023, "target_engagement": 0.365}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.354, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.686, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.293748438201838, "aff_pf": -0.09623269240061443, "aff_hs": -0.05104345828294754, "repeats_pf": {"runs": 3, "values": [-0.0869, -0.1591, -0.0427], "mean": -0.0962, "spread": 0.1164}, "repeats_hs": {"runs": 3, "values": [-0.0236, -0.0618, -0.0678], "mean": -0.051, "spread": 0.0441}, "at": 1789434426}, "tier": 1, "alerts": [], "total_sd": 0.279, "total_ci95": [23.659, 24.599], "relegate_reason": [], "submitted_at": 1789434081, "scored_at": 1789434426, "rank": 4585}, {"candidate_id": "ODC-EF96D7", "res_at": 1787261696, "skeleton": "IMLNMGUIZVZWEQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 24.071, "axes": {"activity": 14.47, "binding": 1.24, "selectivity": 0.0, "admet": 2.97, "novelty": 3.32, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.468, "fraction": 0.482}, "binding": {"pIC50": 4.99, "LE": 0.19, "potency_term": 0.098, "efficiency_cap": 0.633}, "selectivity": {"fold": 1.2, "selectivity_term": 0.035, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.708, "hia-hou": 0.673, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.655, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.467950034279121, "aff_pf": 1.0091334978739421, "aff_hs": 1.079545021057129, "repeats_pf": {"runs": 3, "values": [0.94, 1.0356, 1.0518], "mean": 1.0091, "spread": 0.1117}, "repeats_hs": {"runs": 3, "values": [0.8699, 1.3791, 0.9896], "mean": 1.0795, "spread": 0.5091}, "at": 1787261696}, "tier": 1, "relegate_reason": [], "submitted_at": 1787260113, "scored_at": 1787261696, "alerts": [], "rank": 4586}, {"candidate_id": "ODC-BA5697", "res_at": 1787051513, "skeleton": "AJGKUJXUKXOAPK", "hf_user": "takutoyo", "display_name": "PfD6-B4", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 24.066, "axes": {"activity": 2.47, "binding": 8.09, "selectivity": 5.36, "admet": 3.72, "novelty": 2.65, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 4.748, "fraction": 0.082}, "binding": {"pIC50": 6.21, "LE": 0.426, "potency_term": 0.404, "efficiency_cap": 1.0}, "selectivity": {"fold": 21.2, "selectivity_term": 0.663, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.508, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.591, "cyp3a4-substrate-carbonmangels": 0.229, "ld50-zhu": 0.742, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 4.748046953285673, "aff_pf": -0.21343328058719635, "aff_hs": 1.1124846935272217, "repeats_pf": {"runs": 3, "values": [-0.1981, -0.1687, -0.2735], "mean": -0.2134, "spread": 0.1048}, "repeats_hs": {"runs": 3, "values": [1.0481, 1.1375, 1.1519], "mean": 1.1125, "spread": 0.1037}, "at": 1787051513}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047079, "scored_at": 1787051513, "alerts": [], "rank": 4587}, {"candidate_id": "ODC-1B45DD", "res_at": 1786930303, "skeleton": "ZCZADCYZJURXPT", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 24.037, "axes": {"activity": 14.91, "binding": 0.86, "selectivity": 0.21, "admet": 2.33, "novelty": 3.24, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 5.18, "LE": 0.215, "potency_term": 0.06, "efficiency_cap": 0.717}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.06}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.295, "ld50-zhu": 0.37, "herg": 0.05, "dili": 0.459}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "3", "pAct_q10": 5.494355440918161, "aff_pf": 0.8192678093910217, "aff_hs": 1.1730881134668987, "repeats_pf": {"runs": 3, "values": [0.697, 0.7889, 0.972], "mean": 0.8193, "spread": 0.275}, "repeats_hs": {"runs": 3, "values": [0.9216, 1.4908, 1.1069], "mean": 1.1731, "spread": 0.5692}, "at": 1786930303}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924600, "scored_at": 1786930303, "alerts": [], "rank": 4588}, {"candidate_id": "ODC-5C7BC6", "res_at": 1788135318, "skeleton": "FURSJLLUYZQQLJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 24.019, "axes": {"activity": 14.91, "binding": 1.31, "selectivity": 0.0, "admet": 2.12, "novelty": 3.2, "synthesis": 2.48}, "detail": {"activity": {"pAct_q10": 5.494, "fraction": 0.497}, "binding": {"pIC50": 5.28, "LE": 0.213, "potency_term": 0.093, "efficiency_cap": 0.709}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.093}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.341, "ld50-zhu": 0.401, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 5.494329131332826, "aff_pf": 0.7218003074328104, "aff_hs": 0.33624868591626483, "repeats_pf": {"runs": 3, "values": [0.7727, 0.7508, 0.6419], "mean": 0.7218, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [0.4412, 0.1351, 0.4324], "mean": 0.3362, "spread": 0.3062}, "at": 1788135318}, "tier": 1, "alerts": [], "total_sd": 0.167, "total_ci95": [23.768, 24.422], "relegate_reason": [], "submitted_at": 1788132499, "scored_at": 1788135318, "rank": 4589}, {"candidate_id": "ODC-3A4114", "res_at": 1786991269, "skeleton": "CTXQJPYFUPCTMG", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········O)CO2", "total": 23.998, "axes": {"activity": 1.75, "binding": 10.79, "selectivity": 1.63, "admet": 3.39, "novelty": 3.91, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 4.705, "fraction": 0.058}, "binding": {"pIC50": 6.62, "LE": 0.363, "potency_term": 0.539, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.151, "target_engagement": 0.539}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.562, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.352, "herg": 0.068, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 4.704745945240139, "aff_pf": -0.618423600991567, "aff_hs": -0.3162515163421631, "repeats_pf": {"runs": 3, "values": [-0.496, -0.6851, -0.6742], "mean": -0.6184, "spread": 0.1891}, "repeats_hs": {"runs": 3, "values": [-0.2759, -0.3537, -0.3192], "mean": -0.3163, "spread": 0.0777}, "at": 1786991269}, "tier": 1, "relegate_reason": [], "submitted_at": 1786990996, "scored_at": 1786991269, "alerts": [], "rank": 4590}, {"candidate_id": "ODC-5924B0", "res_at": 1788055265, "skeleton": "WEGPTKQKLOPKAP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 23.981, "axes": {"activity": 8.09, "binding": 6.16, "selectivity": 4.01, "admet": 2.73, "novelty": 1.7, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.085, "fraction": 0.27}, "binding": {"pIC50": 5.95, "LE": 0.291, "potency_term": 0.317, "efficiency_cap": 0.971}, "selectivity": {"fold": 18.3, "selectivity_term": 0.632, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.785, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.216, "herg": 0.684, "dili": 0.499}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.085410694902888, "aff_pf": 0.04856957991917928, "aff_hs": 1.3121445178985596, "repeats_pf": {"runs": 3, "values": [-0.0223, 0.0981, 0.0699], "mean": 0.0486, "spread": 0.1204}, "repeats_hs": {"runs": 3, "values": [1.3352, 1.288, 1.3132], "mean": 1.3121, "spread": 0.0472}, "at": 1788055265}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.625, "total_ci95": [22.936, 24.943], "relegate_reason": [], "submitted_at": 1788007087, "scored_at": 1788055265, "rank": 4591}, {"candidate_id": "ODC-3618EE", "res_at": 1787035029, "skeleton": "BVOFBQSMCSXZTM", "hf_user": "epicsaga", "display_name": "PFD2-03", "model_name": "GLM-5.3", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········c2nn1", "total": 23.972, "axes": {"activity": 13.68, "binding": 2.92, "selectivity": 0.04, "admet": 2.47, "novelty": 2.6, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 5.57, "LE": 0.231, "potency_term": 0.19, "efficiency_cap": 0.771}, "selectivity": {"fold": 1.1, "selectivity_term": 0.011, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.114, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.059, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.962}}, "novelty": {"max_tanimoto": 0.43, "novelty": 0.57}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.420842561063261, "aff_pf": 0.4308190544446309, "aff_hs": 0.45288100838661194, "repeats_pf": {"runs": 3, "values": [0.322, 0.3913, 0.5791], "mean": 0.4308, "spread": 0.2571}, "repeats_hs": {"runs": 3, "values": [0.4022, 0.6735, 0.2829], "mean": 0.4529, "spread": 0.3905}, "at": 1787035029}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032471, "scored_at": 1787035029, "alerts": [], "rank": 4592}, {"candidate_id": "ODC-56FD0D", "res_at": 1786957073, "skeleton": "OKXGEKFFKGYOMS", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 23.968, "axes": {"activity": 11.22, "binding": 5.69, "selectivity": 2.53, "admet": 1.62, "novelty": 1.05, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 5.86, "LE": 0.297, "potency_term": 0.287, "efficiency_cap": 0.991}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.287}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.053, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.137, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.45, "ld50-zhu": 0.399, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "2", "pAct_q10": 5.273234303296352, "aff_pf": 0.13938575983047485, "aff_hs": 1.0203354557355244, "repeats_pf": {"runs": 3, "values": [0.1624, 0.0861, 0.1697], "mean": 0.1394, "spread": 0.0835}, "repeats_hs": {"runs": 3, "values": [1.0898, 0.9093, 1.0619], "mean": 1.0203, "spread": 0.1805}, "at": 1786957073}, "tier": 1, "relegate_reason": [], "submitted_at": 1786956401, "scored_at": 1786957073, "alerts": [], "rank": 4593}, {"candidate_id": "ODC-A6C1BE", "res_at": 1787278680, "skeleton": "WCJXPUSXOGMHOB", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 23.965, "axes": {"activity": 12.17, "binding": 5.75, "selectivity": 0.34, "admet": 2.13, "novelty": 2.26, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 5.87, "LE": 0.298, "potency_term": 0.29, "efficiency_cap": 0.993}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.559, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 3.73}}, "run": {"gpu": "3", "pAct_q10": 5.32995350322425, "aff_pf": 0.13051743060350418, "aff_hs": 0.24793924887975058, "repeats_pf": {"runs": 3, "values": [0.0875, 0.0195, 0.2846], "mean": 0.1305, "spread": 0.2651}, "repeats_hs": {"runs": 3, "values": [0.0517, 0.38, 0.3121], "mean": 0.2479, "spread": 0.3284}, "at": 1787278680}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276107, "scored_at": 1787278680, "alerts": [], "rank": 4594}, {"candidate_id": "ODC-D02B56", "res_at": 1786963772, "skeleton": "BISUQVLKEHTGRW", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC#Cc1n··········C1CC1", "total": 23.958, "axes": {"activity": 11.14, "binding": 6.08, "selectivity": 0.85, "admet": 2.25, "novelty": 2.23, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 5.91, "LE": 0.3, "potency_term": 0.304, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.719, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.796, "herg": 0.226, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 5.268373882819695, "aff_pf": 0.0880985011657079, "aff_hs": 0.3667101760705312, "repeats_pf": {"runs": 3, "values": [0.1527, -0.0237, 0.1353], "mean": 0.0881, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [0.5126, 0.2187, 0.3688], "mean": 0.3667, "spread": 0.2939}, "at": 1786963772}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963403, "scored_at": 1786963772, "alerts": [], "rank": 4595}, {"candidate_id": "ODC-941136", "res_at": 1787278299, "skeleton": "LFAYUDJAMUEEOD", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 23.957, "axes": {"activity": 12.25, "binding": 5.03, "selectivity": 0.63, "admet": 2.59, "novelty": 2.15, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.335, "fraction": 0.408}, "binding": {"pIC50": 5.75, "LE": 0.303, "potency_term": 0.252, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.252}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.225, "cyp3a4-substrate-carbonmangels": 0.113, "ld50-zhu": 0.563, "herg": 0.143, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 5.335003905542976, "aff_pf": 0.24515050649642944, "aff_hs": 0.49404412508010864, "repeats_pf": {"runs": 3, "values": [0.2272, 0.2317, 0.2765], "mean": 0.2452, "spread": 0.0493}, "repeats_hs": {"runs": 3, "values": [0.491, 0.5205, 0.4706], "mean": 0.494, "spread": 0.0499}, "at": 1787278299}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276089, "scored_at": 1787278299, "alerts": [], "rank": 4596}, {"candidate_id": "ODC-099F5D", "res_at": 1789278456, "skeleton": "RNKZHFRHAXDPIE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 23.955, "axes": {"activity": 14.51, "binding": 2.0, "selectivity": 0.0, "admet": 2.0, "novelty": 3.39, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.471, "fraction": 0.484}, "binding": {"pIC50": 5.38, "LE": 0.238, "potency_term": 0.126, "efficiency_cap": 0.792}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.126}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.069, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.470755835435707, "aff_pf": 0.620769610007604, "aff_hs": 0.4258589446544647, "repeats_pf": {"runs": 3, "values": [0.7442, 0.4778, 0.6404], "mean": 0.6208, "spread": 0.2664}, "repeats_hs": {"runs": 3, "values": [0.4107, 0.2238, 0.6431], "mean": 0.4259, "spread": 0.4193}, "at": 1789278456}, "tier": 1, "alerts": [], "total_sd": 0.367, "total_ci95": [23.272, 24.783], "relegate_reason": [], "submitted_at": 1789277827, "scored_at": 1789278456, "rank": 4597}, {"candidate_id": "ODC-10D08F", "res_at": 1786987688, "skeleton": "DSQZSTFOUGBROA", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········cccc1", "total": 23.952, "axes": {"activity": 13.89, "binding": 1.74, "selectivity": 0.6, "admet": 2.87, "novelty": 2.96, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.434, "fraction": 0.463}, "binding": {"pIC50": 5.28, "LE": 0.278, "potency_term": 0.094, "efficiency_cap": 0.928}, "selectivity": {"fold": 4.3, "selectivity_term": 0.319, "target_engagement": 0.094}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.822, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 0.05, "pgp-broccatelli": 0.321, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.419, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.433690926544581, "aff_pf": 0.7186527848243713, "aff_hs": 1.35584823290507, "repeats_pf": {"runs": 3, "values": [0.7428, 0.7609, 0.6522], "mean": 0.7187, "spread": 0.1087}, "repeats_hs": {"runs": 3, "values": [1.2443, 1.3975, 1.4258], "mean": 1.3558, "spread": 0.1815}, "at": 1786987688}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984341, "scored_at": 1786987688, "alerts": [], "rank": 4598}, {"candidate_id": "ODC-2373F5", "res_at": 1789227178, "skeleton": "SSZLMGWHRSAKFM", "hf_user": "Bio-JS", "display_name": "0913-S1-div02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 23.949, "axes": {"activity": 12.72, "binding": 3.52, "selectivity": 0.83, "admet": 2.67, "novelty": 2.41, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.363, "fraction": 0.424}, "binding": {"pIC50": 5.54, "LE": 0.292, "potency_term": 0.181, "efficiency_cap": 0.974}, "selectivity": {"fold": 2.9, "selectivity_term": 0.229, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.883, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.423, "herg": 0.067, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.363312774410835, "aff_pf": 0.4573770562807719, "aff_hs": 0.9145400524139404, "repeats_pf": {"runs": 3, "values": [0.3912, 0.3918, 0.5891], "mean": 0.4574, "spread": 0.1979}, "repeats_hs": {"runs": 3, "values": [0.9932, 0.8222, 0.9282], "mean": 0.9145, "spread": 0.171}, "at": 1789227178}, "tier": 1, "alerts": [], "total_sd": 0.527, "total_ci95": [22.728, 24.774], "relegate_reason": [], "submitted_at": 1789226278, "scored_at": 1789227178, "rank": 4599}, {"candidate_id": "ODC-18D33D", "res_at": 1787237503, "skeleton": "OEMOFDQNOHZZAI", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········(F)c1", "total": 23.902, "axes": {"activity": 10.0, "binding": 6.8, "selectivity": 1.21, "admet": 1.97, "novelty": 2.27, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.2, "fraction": 0.333}, "binding": {"pIC50": 6.02, "LE": 0.317, "potency_term": 0.34, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.052, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.765, "cyp2c9-veith": 0.547, "cyp3a4-substrate-carbonmangels": 0.687, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.200062970032578, "aff_pf": -0.01977039873600006, "aff_hs": 0.3347374697526296, "repeats_pf": {"runs": 3, "values": [0.1296, -0.2079, 0.019], "mean": -0.0198, "spread": 0.3376}, "repeats_hs": {"runs": 3, "values": [0.1641, 0.4493, 0.3908], "mean": 0.3347, "spread": 0.2852}, "at": 1787237503}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234312, "scored_at": 1787237503, "alerts": [], "rank": 4600}, {"candidate_id": "ODC-D9B7BD", "res_at": 1787147548, "skeleton": "PVIQGALJMAEBKE", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 23.88, "axes": {"activity": 9.13, "binding": 6.71, "selectivity": 2.39, "admet": 2.53, "novelty": 1.59, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 6.01, "LE": 0.343, "potency_term": 0.336, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.356, "target_engagement": 0.336}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.75, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.462, "herg": 0.996, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.148059991458107, "aff_pf": -0.006965542833010356, "aff_hs": 0.7043656905492147, "repeats_pf": {"runs": 3, "values": [0.0458, 0.042, -0.1087], "mean": -0.007, "spread": 0.1546}, "repeats_hs": {"runs": 3, "values": [0.6512, 0.7137, 0.7482], "mean": 0.7044, "spread": 0.0969}, "at": 1787147548}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143385, "scored_at": 1787147548, "alerts": [], "rank": 4601}, {"candidate_id": "ODC-2D22A4", "res_at": 1789955057, "skeleton": "ASMIZMBITUHKNJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 23.878, "axes": {"activity": 13.61, "binding": 2.06, "selectivity": 0.0, "admet": 3.47, "novelty": 3.07, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 5.43, "LE": 0.213, "potency_term": 0.145, "efficiency_cap": 0.709}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.145}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.584, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 0.899, "pgp-broccatelli": 0.229, "cyp2c9-veith": 0.917, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.608}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "2", "pAct_q10": 5.416801219359058, "aff_pf": 0.565153181552887, "aff_hs": -0.11991294225056966, "repeats_pf": {"runs": 3, "values": [0.5812, 0.5483, 0.5661], "mean": 0.5652, "spread": 0.0329}, "repeats_hs": {"runs": 3, "values": [-0.0129, -0.3022, -0.0446], "mean": -0.1199, "spread": 0.2893}, "at": 1789955057}, "tier": 1, "alerts": [], "total_sd": 0.04, "total_ci95": [23.797, 23.965], "relegate_reason": [], "submitted_at": 1789863640, "scored_at": 1789955057, "rank": 4602}, {"candidate_id": "ODC-ED00CE", "res_at": 1787277334, "skeleton": "KPFVBHVSLOPQSV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 23.857, "axes": {"activity": 12.65, "binding": 4.03, "selectivity": 0.56, "admet": 2.73, "novelty": 2.45, "synthesis": 1.44}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 5.61, "LE": 0.307, "potency_term": 0.202, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.202}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.467, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.236, "ld50-zhu": 0.534, "herg": 0.18, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.358859799209711, "aff_pf": 0.3948389490445455, "aff_hs": 0.670821746190389, "repeats_pf": {"runs": 3, "values": [0.3439, 0.4526, 0.388], "mean": 0.3948, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [0.6719, 0.687, 0.6535], "mean": 0.6708, "spread": 0.0335}, "at": 1787277334}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276053, "scored_at": 1787277334, "alerts": [], "rank": 4603}, {"candidate_id": "ODC-280E1C", "res_at": 1787294371, "skeleton": "JZAQXMZGFKHVRB", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "CCCCCCCCCNC(=O)CSc1nc2nc(C)c(F)c(Nc3ccc(Cl)c(F)c3)n2n1", "smiles_masked": null, "total": 23.841, "axes": {"activity": 14.94, "binding": 1.1, "selectivity": 0.0, "admet": 2.05, "novelty": 3.45, "synthesis": 2.3}, "detail": {"activity": {"pAct_q10": 5.496, "fraction": 0.498}, "binding": {"pIC50": 5.24, "LE": 0.211, "potency_term": 0.078, "efficiency_cap": 0.703}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.134, "caco2-wang": 0.466, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.905, "ld50-zhu": 0.406, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.496494968487162, "aff_pf": 0.7646634380022684, "aff_hs": 0.199841578801473, "repeats_pf": {"runs": 3, "values": [0.6977, 0.6392, 0.9571], "mean": 0.7647, "spread": 0.3179}, "repeats_hs": {"runs": 3, "values": [0.3263, -0.0183, 0.2915], "mean": 0.1998, "spread": 0.3446}, "at": 1787294371}, "tier": 1, "relegate_reason": [], "submitted_at": 1787294174, "scored_at": 1787294371, "alerts": [], "rank": 4604}, {"candidate_id": "ODC-9E5271", "res_at": 1787630518, "skeleton": "ANAYUHNWDLZLQV", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)cc1", "total": 23.831, "axes": {"activity": 15.77, "binding": 0.81, "selectivity": 0.0, "admet": 1.99, "novelty": 2.63, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 5.546, "fraction": 0.526}, "binding": {"pIC50": 4.79, "LE": 0.205, "potency_term": 0.059, "efficiency_cap": 0.684}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.346, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.652, "ld50-zhu": 0.46, "herg": 0.05, "dili": 0.206}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.546479633192314, "aff_pf": 1.2098106344540913, "aff_hs": 0.19136174519856772, "repeats_pf": {"runs": 3, "values": [1.4903, 0.9601, 1.179], "mean": 1.2098, "spread": 0.5302}, "repeats_hs": {"runs": 3, "values": [0.1156, 0.2766, 0.1819], "mean": 0.1914, "spread": 0.161}, "at": 1787630518}, "tier": 1, "relegate_reason": [], "submitted_at": 1787623743, "scored_at": 1787630518, "alerts": [], "rank": 4605}, {"candidate_id": "ODC-E74DC7", "res_at": 1788087343, "skeleton": "HJBLKWOMMPZXGS", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 23.809, "axes": {"activity": 14.54, "binding": 1.14, "selectivity": 0.0, "admet": 2.88, "novelty": 3.21, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 5.18, "LE": 0.284, "potency_term": 0.06, "efficiency_cap": 0.946}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.06}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.358, "ld50-zhu": 0.647, "herg": 0.142, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.472557177595997, "aff_pf": 0.8194955190022787, "aff_hs": 0.13915522396564484, "repeats_pf": {"runs": 3, "values": [0.8732, 0.8199, 0.7654], "mean": 0.8195, "spread": 0.1079}, "repeats_hs": {"runs": 3, "values": [0.109, 0.1048, 0.2037], "mean": 0.1392, "spread": 0.099}, "at": 1788087343}, "tier": 1, "alerts": [], "total_sd": 0.167, "total_ci95": [23.462, 24.166], "relegate_reason": [], "submitted_at": 1788080439, "scored_at": 1788087343, "rank": 4606}, {"candidate_id": "ODC-F669E5", "res_at": 1789363304, "skeleton": "YVCMYQHSSHFIJC", "hf_user": "Bio-JS", "display_name": "0914-S1-div23", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 23.809, "axes": {"activity": 13.48, "binding": 2.06, "selectivity": 0.37, "admet": 3.29, "novelty": 2.82, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.449}, "binding": {"pIC50": 5.34, "LE": 0.271, "potency_term": 0.114, "efficiency_cap": 0.903}, "selectivity": {"fold": 2.1, "selectivity_term": 0.161, "target_engagement": 0.114}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.458, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.972, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.611, "herg": 0.118, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.408503373623572, "aff_pf": 0.6585948467254639, "aff_hs": 0.980894128481547, "repeats_pf": {"runs": 3, "values": [0.6835, 0.6496, 0.6426], "mean": 0.6586, "spread": 0.0409}, "repeats_hs": {"runs": 3, "values": [0.9346, 1.0622, 0.9458], "mean": 0.9809, "spread": 0.1276}, "at": 1789363304}, "tier": 1, "alerts": [], "total_sd": 0.095, "total_ci95": [23.601, 23.973], "relegate_reason": [], "submitted_at": 1789346169, "scored_at": 1789363304, "rank": 4607}, {"candidate_id": "ODC-D95834", "res_at": 1786842869, "skeleton": "GPOYMBKZWKAZJP", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 23.806, "axes": {"activity": 11.85, "binding": 4.25, "selectivity": 0.66, "admet": 3.09, "novelty": 2.17, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.311, "fraction": 0.395}, "binding": {"pIC50": 5.64, "LE": 0.368, "potency_term": 0.212, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.212}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.921, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.465, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.394, "herg": 0.624, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.311090029141727, "aff_pf": 0.36313527822494507, "aff_hs": 0.6722957690556844, "repeats_pf": {"runs": 3, "values": [0.4187, 0.3075, 0.3632], "mean": 0.3631, "spread": 0.1111}, "repeats_hs": {"runs": 3, "values": [0.8113, 0.5255, 0.6801], "mean": 0.6723, "spread": 0.2858}, "at": 1786842869}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808539, "scored_at": 1786842869, "alerts": [], "rank": 4608}, {"candidate_id": "ODC-B9217F", "res_at": 1787290020, "skeleton": "PCLDFBXOGWRVJR", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 23.793, "axes": {"activity": 10.76, "binding": 6.39, "selectivity": 0.09, "admet": 2.9, "novelty": 2.68, "synthesis": 0.97}, "detail": {"activity": {"pAct_q10": 5.246, "fraction": 0.359}, "binding": {"pIC50": 5.96, "LE": 0.314, "potency_term": 0.32, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.014, "target_engagement": 0.32}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.501, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.97, "cyp2c9-veith": 0.924, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.492, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 4.1}}, "run": {"gpu": "3", "pAct_q10": 5.245632573596957, "aff_pf": 0.041339337825775146, "aff_hs": 0.07033237566550572, "repeats_pf": {"runs": 3, "values": [0.0824, -0.0208, 0.0624], "mean": 0.0413, "spread": 0.1032}, "repeats_hs": {"runs": 3, "values": [-0.0279, 0.0455, 0.1934], "mean": 0.0703, "spread": 0.2213}, "at": 1787290020}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286808, "scored_at": 1787290020, "alerts": [], "rank": 4609}, {"candidate_id": "ODC-E403CC", "res_at": 1787213391, "skeleton": "QVNHLZCCYOHAJG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "GPT 5.6 sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nsc2··········3)c12", "total": 23.773, "axes": {"activity": 4.87, "binding": 8.22, "selectivity": 2.28, "admet": 3.74, "novelty": 2.61, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 4.892, "fraction": 0.162}, "binding": {"pIC50": 6.23, "LE": 0.407, "potency_term": 0.411, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.411}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.778, "cyp3a4-substrate-carbonmangels": 0.576, "ld50-zhu": 0.559, "herg": 0.598, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 4.892414352748763, "aff_pf": -0.2327582041422526, "aff_hs": 0.32097623745600384, "repeats_pf": {"runs": 3, "values": [0.0617, -0.3826, -0.3774], "mean": -0.2328, "spread": 0.4443}, "repeats_hs": {"runs": 3, "values": [0.2789, 0.272, 0.412], "mean": 0.321, "spread": 0.1399}, "at": 1787213391}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212436, "scored_at": 1787213391, "alerts": [], "rank": 4610}, {"candidate_id": "ODC-A6DF1A", "res_at": 1788519181, "skeleton": "ZMFLLRNNSGZIGI", "hf_user": "Bio-JS", "display_name": "0904-S1 NEW SMe/Me/p-CN", "model_name": "Bio-JS", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 23.764, "axes": {"activity": 8.28, "binding": 7.4, "selectivity": 2.49, "admet": 2.73, "novelty": 1.02, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.097, "fraction": 0.276}, "binding": {"pIC50": 6.11, "LE": 0.399, "potency_term": 0.37, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.332, "herg": 0.955, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "0", "pAct_q10": 5.096570285332577, "aff_pf": -0.1099331925312678, "aff_hs": 0.5629470845063528, "repeats_pf": {"runs": 3, "values": [-0.1024, -0.1065, -0.1209], "mean": -0.1099, "spread": 0.0184}, "repeats_hs": {"runs": 3, "values": [0.4945, 0.5816, 0.6128], "mean": 0.5629, "spread": 0.1184}, "at": 1788519181}, "tier": 1, "alerts": [], "total_sd": 0.133, "total_ci95": [23.51, 24.019], "relegate_reason": [], "submitted_at": 1788487753, "scored_at": 1788519181, "rank": 4611}, {"candidate_id": "ODC-B75B29", "res_at": 1787908256, "skeleton": "PMYOCPJECMHDNZ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-FRESH-04]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC(··········=O)=O", "total": 23.76, "axes": {"activity": 1.26, "binding": 10.67, "selectivity": 0.0, "admet": 5.94, "novelty": 4.08, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 4.253, "fraction": 0.042}, "binding": {"pIC50": 6.6, "LE": 0.411, "potency_term": 0.533, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.743, "per_endpoint": {"solubility-aqsoldb": 0.659, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.408, "herg": 1.0, "dili": 0.244}}, "novelty": {"max_tanimoto": 0.235, "novelty": 0.765}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "0", "pAct_q10": 4.252856915067155, "aff_pf": -0.5997564991315206, "aff_hs": -0.85524054368337, "repeats_pf": {"runs": 3, "values": [-0.6682, -0.4121, -0.719], "mean": -0.5998, "spread": 0.3069}, "repeats_hs": {"runs": 3, "values": [-0.8002, -1.0361, -0.7294], "mean": -0.8552, "spread": 0.3067}, "at": 1787908256}, "tier": 1, "relegate_reason": [], "submitted_at": 1787896505, "scored_at": 1787908256, "alerts": [], "rank": 4612}, {"candidate_id": "ODC-DE12FE", "res_at": 1787329970, "skeleton": "OBIZYMRQKAAICK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)cc1", "total": 23.757, "axes": {"activity": 11.6, "binding": 4.1, "selectivity": 1.62, "admet": 2.37, "novelty": 2.14, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.387}, "binding": {"pIC50": 5.64, "LE": 0.286, "potency_term": 0.215, "efficiency_cap": 0.955}, "selectivity": {"fold": 5.7, "selectivity_term": 0.377, "target_engagement": 0.215}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.108, "cyp2c9-veith": 0.673, "cyp3a4-substrate-carbonmangels": 0.986, "ld50-zhu": 0.653, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.03}}, "run": {"gpu": "3", "pAct_q10": 5.295747366789762, "aff_pf": 0.3554976185162862, "aff_hs": 1.1088893413543701, "repeats_pf": {"runs": 3, "values": [0.3696, 0.3024, 0.3945], "mean": 0.3555, "spread": 0.0922}, "repeats_hs": {"runs": 3, "values": [1.1231, 1.0619, 1.1417], "mean": 1.1089, "spread": 0.0797}, "at": 1787329970}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328875, "scored_at": 1787329970, "alerts": [], "rank": 4613}, {"candidate_id": "ODC-AA3419", "res_at": 1788054333, "skeleton": "MGRGIOAQWJVNTC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 23.738, "axes": {"activity": 9.65, "binding": 6.15, "selectivity": 1.91, "admet": 3.18, "novelty": 1.63, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.179, "fraction": 0.322}, "binding": {"pIC50": 5.92, "LE": 0.301, "potency_term": 0.307, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.31, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.66, "per_endpoint": {"solubility-aqsoldb": 0.689, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.798, "cyp3a4-substrate-carbonmangels": 0.274, "ld50-zhu": 0.364, "herg": 1.0, "dili": 0.384}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.179263025680461, "aff_pf": 0.07761511951684952, "aff_hs": 0.6981788873672485, "repeats_pf": {"runs": 2, "values": [-0.0039, 0.1591], "mean": 0.0776, "spread": 0.163}, "repeats_hs": {"runs": 1, "values": [0.6982], "mean": 0.6982, "spread": 0.0}, "at": 1788054333}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1788007074, "scored_at": 1788054333, "rank": 4614}, {"candidate_id": "ODC-82AA84", "res_at": 1786878214, "skeleton": "ZPSCEUWYAJBNSE", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········cnc12", "total": 23.726, "axes": {"activity": 11.8, "binding": 4.75, "selectivity": 0.0, "admet": 2.73, "novelty": 2.72, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.308, "fraction": 0.393}, "binding": {"pIC50": 5.71, "LE": 0.326, "potency_term": 0.238, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.238}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.698, "herg": 0.281, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.30828732768159, "aff_pf": 0.2872606615225474, "aff_hs": 0.048050989707311, "repeats_pf": {"runs": 3, "values": [0.3129, 0.2369, 0.312], "mean": 0.2873, "spread": 0.076}, "repeats_hs": {"runs": 3, "values": [0.0983, -0.0733, 0.1192], "mean": 0.0481, "spread": 0.1925}, "at": 1786878214}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872757, "scored_at": 1786878214, "alerts": [], "rank": 4615}, {"candidate_id": "ODC-218A77", "res_at": 1789430408, "skeleton": "MOMSIKHDZDAWQU", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 23.719, "axes": {"activity": 10.78, "binding": 3.62, "selectivity": 3.48, "admet": 2.82, "novelty": 2.12, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.359}, "binding": {"pIC50": 5.65, "LE": 0.25, "potency_term": 0.217, "efficiency_cap": 0.833}, "selectivity": {"fold": 39.8, "selectivity_term": 0.8, "target_engagement": 0.217}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.845, "cyp2c9-veith": 0.3, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.889, "herg": 0.091, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 4.25}}, "run": {"gpu": "0", "pAct_q10": 5.246522734353684, "aff_pf": 0.34750055770079297, "aff_hs": 1.9475733041763306, "repeats_pf": {"runs": 3, "values": [0.49, 0.4085, 0.1439], "mean": 0.3475, "spread": 0.3461}, "repeats_hs": {"runs": 3, "values": [2.0235, 1.8487, 1.9706], "mean": 1.9476, "spread": 0.1748}, "at": 1789430408}, "tier": 1, "alerts": [], "total_sd": 1.114, "total_ci95": [22.092, 26.638], "relegate_reason": [], "submitted_at": 1789429698, "scored_at": 1789430408, "rank": 4616}, {"candidate_id": "ODC-488DA8", "res_at": 1789552696, "skeleton": "XWYOCMROVBPCEJ", "hf_user": "Bio-JS", "display_name": "0916-S1-div19", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········)n2n1", "total": 23.705, "axes": {"activity": 13.86, "binding": 1.82, "selectivity": 0.0, "admet": 3.27, "novelty": 2.67, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 4.98, "LE": 0.284, "potency_term": 0.096, "efficiency_cap": 0.948}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.705, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.398, "herg": 0.122, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.431312775430861, "aff_pf": 1.0172479351361592, "aff_hs": 0.6451805035273234, "repeats_pf": {"runs": 3, "values": [0.9986, 0.9892, 1.0639], "mean": 1.0172, "spread": 0.0747}, "repeats_hs": {"runs": 3, "values": [0.6757, 0.5735, 0.6864], "mean": 0.6452, "spread": 0.1129}, "at": 1789552696}, "tier": 1, "alerts": [], "total_sd": 0.749, "total_ci95": [21.898, 23.721], "relegate_reason": [], "submitted_at": 1789526883, "scored_at": 1789552696, "rank": 4617}, {"candidate_id": "ODC-35E2D5", "res_at": 1789092844, "skeleton": "JNWLYHYQJQUMAT", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(N)c1··········nc2n1", "total": 23.685, "axes": {"activity": 14.58, "binding": 2.17, "selectivity": 0.54, "admet": 3.63, "novelty": 1.38, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 5.38, "LE": 0.254, "potency_term": 0.128, "efficiency_cap": 0.848}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.128}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.592, "herg": 0.096, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.717, "novelty": 0.283}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "0", "pAct_q10": 5.474904305656844, "aff_pf": 0.6163631478945414, "aff_hs": 1.0408212741216023, "repeats_pf": {"runs": 3, "values": [0.5372, 0.681, 0.6309], "mean": 0.6164, "spread": 0.1438}, "repeats_hs": {"runs": 3, "values": [1.0097, 1.0429, 1.0699], "mean": 1.0408, "spread": 0.0602}, "at": 1789092844}, "tier": 1, "alerts": [], "total_sd": 0.303, "total_ci95": [23.138, 24.357], "relegate_reason": [], "submitted_at": 1789088812, "scored_at": 1789092844, "rank": 4618}, {"candidate_id": "ODC-F3E6EC", "res_at": 1788053481, "skeleton": "DYEGZBQQQSKIHL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 23.668, "axes": {"activity": 9.86, "binding": 6.08, "selectivity": 1.79, "admet": 2.8, "novelty": 1.77, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.192, "fraction": 0.329}, "binding": {"pIC50": 5.91, "LE": 0.3, "potency_term": 0.304, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.294, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.545, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.532, "ld50-zhu": 0.443, "herg": 0.432, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.191572183051348, "aff_pf": 0.08782910307248433, "aff_hs": 0.6763531168301901, "repeats_pf": {"runs": 3, "values": [0.052, 0.2435, -0.0321], "mean": 0.0878, "spread": 0.2756}, "repeats_hs": {"runs": 3, "values": [0.6619, 0.8547, 0.5124], "mean": 0.6764, "spread": 0.3423}, "at": 1788053481}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.9, "total_ci95": [22.087, 25.475], "relegate_reason": [], "submitted_at": 1788007062, "scored_at": 1788053481, "rank": 4619}, {"candidate_id": "ODC-8AD65F", "res_at": 1788798751, "skeleton": "WATBQLWGBLHYOY", "hf_user": "Bio-JS", "display_name": "0907-S1-23", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 23.66, "axes": {"activity": 12.87, "binding": 2.48, "selectivity": 1.22, "admet": 2.22, "novelty": 2.74, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 5.42, "LE": 0.265, "potency_term": 0.14, "efficiency_cap": 0.884}, "selectivity": {"fold": 7.3, "selectivity_term": 0.433, "target_engagement": 0.14}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.639, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "0", "pAct_q10": 5.372032911369714, "aff_pf": 0.5788590013980865, "aff_hs": 1.4447449843088787, "repeats_pf": {"runs": 3, "values": [0.5826, 0.7043, 0.4497], "mean": 0.5789, "spread": 0.2547}, "repeats_hs": {"runs": 3, "values": [1.3968, 1.4906, 1.4468], "mean": 1.4447, "spread": 0.0938}, "at": 1788798751}, "tier": 1, "alerts": [], "total_sd": 0.651, "total_ci95": [22.38, 25.078], "relegate_reason": [], "submitted_at": 1788707771, "scored_at": 1788798751, "rank": 4620}, {"candidate_id": "ODC-FDA942", "res_at": 1786960979, "skeleton": "RSQJOXNEKBOAIV", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nc··········C1CC1", "total": 23.659, "axes": {"activity": 11.81, "binding": 5.47, "selectivity": 0.19, "admet": 2.18, "novelty": 2.29, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.309, "fraction": 0.394}, "binding": {"pIC50": 5.83, "LE": 0.296, "potency_term": 0.277, "efficiency_cap": 0.986}, "selectivity": {"fold": 1.2, "selectivity_term": 0.035, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.128, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.812, "herg": 0.236, "dili": 0.215}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.308779071726887, "aff_pf": 0.16842082142829895, "aff_hs": 0.23743602136770883, "repeats_pf": {"runs": 3, "values": [0.1207, 0.092, 0.2925], "mean": 0.1684, "spread": 0.2005}, "repeats_hs": {"runs": 3, "values": [0.2239, 0.2659, 0.2224], "mean": 0.2374, "spread": 0.0435}, "at": 1786960979}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959782, "scored_at": 1786960979, "alerts": [], "rank": 4621}, {"candidate_id": "ODC-274837", "res_at": 1786871880, "skeleton": "PZMNGISYQAWKEN", "hf_user": "DOATC", "display_name": "SOL_RETAKE_03", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········cc1Br", "total": 23.623, "axes": {"activity": 9.09, "binding": 8.28, "selectivity": 0.5, "admet": 2.2, "novelty": 1.6, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.146, "fraction": 0.303}, "binding": {"pIC50": 6.24, "LE": 0.356, "potency_term": 0.414, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.414}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.496, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.431, "herg": 0.05, "dili": 0.195}}, "novelty": {"max_tanimoto": 0.614, "novelty": 0.386}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.1455550538905, "aff_pf": -0.2414635717868805, "aff_hs": -0.12117501596609752, "repeats_pf": {"runs": 3, "values": [-0.3608, -0.2036, -0.16], "mean": -0.2415, "spread": 0.2007}, "repeats_hs": {"runs": 3, "values": [-0.1219, -0.112, -0.1296], "mean": -0.1212, "spread": 0.0176}, "at": 1786871880}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865934, "scored_at": 1786871880, "alerts": [], "rank": 4622}, {"candidate_id": "ODC-2C2CE8", "res_at": 1789918815, "skeleton": "KANAVRSATVROTM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········2)cc1", "total": 23.617, "axes": {"activity": 8.98, "binding": 5.82, "selectivity": 4.3, "admet": 1.22, "novelty": 1.81, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.139, "fraction": 0.299}, "binding": {"pIC50": 6.12, "LE": 0.233, "potency_term": 0.375, "efficiency_cap": 0.777}, "selectivity": {"fold": 14.0, "selectivity_term": 0.573, "target_engagement": 0.375}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.323, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.18}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "2", "pAct_q10": 5.138728416800547, "aff_pf": -0.12391536931196849, "aff_hs": 1.0225255886713664, "repeats_pf": {"runs": 3, "values": [-0.0967, -0.0946, -0.1804], "mean": -0.1239, "spread": 0.0858}, "repeats_hs": {"runs": 3, "values": [0.8021, 1.0831, 1.1824], "mean": 1.0225, "spread": 0.3803}, "at": 1789918815}, "tier": 1, "alerts": [], "total_sd": 0.485, "total_ci95": [22.775, 24.621], "relegate_reason": [], "submitted_at": 1789907270, "scored_at": 1789918815, "rank": 4623}, {"candidate_id": "ODC-7926E6", "res_at": 1788809850, "skeleton": "MWSDDGLTWIYHQE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 23.6, "axes": {"activity": 5.5, "binding": 8.94, "selectivity": 1.74, "admet": 2.72, "novelty": 2.72, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 4.93, "fraction": 0.183}, "binding": {"pIC50": 6.34, "LE": 0.347, "potency_term": 0.447, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.447}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.182, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.429, "herg": 0.05, "dili": 0.617}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 4.930230139688359, "aff_pf": -0.34064754843711853, "aff_hs": 0.04981957872708639, "repeats_pf": {"runs": 3, "values": [-0.4621, -0.2517, -0.3082], "mean": -0.3406, "spread": 0.2104}, "repeats_hs": {"runs": 3, "values": [-0.0033, 0.0884, 0.0644], "mean": 0.0498, "spread": 0.0917}, "at": 1788809850}, "tier": 1, "alerts": [], "total_sd": 0.887, "total_ci95": [22.227, 25.792], "relegate_reason": [], "submitted_at": 1788737650, "scored_at": 1788809850, "rank": 4624}, {"candidate_id": "ODC-8CD7A1", "res_at": 1789017123, "skeleton": "GKXWDDHZQROTKW", "hf_user": "Ku-ku", "display_name": "KK-M-0910-535", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········)n2n1", "total": 23.592, "axes": {"activity": 14.39, "binding": 0.84, "selectivity": 0.24, "admet": 2.87, "novelty": 3.32, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.464, "fraction": 0.48}, "binding": {"pIC50": 5.17, "LE": 0.221, "potency_term": 0.057, "efficiency_cap": 0.738}, "selectivity": {"fold": 2.6, "selectivity_term": 0.21, "target_engagement": 0.057}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.263, "cyp2c9-veith": 0.106, "cyp3a4-substrate-carbonmangels": 0.445, "ld50-zhu": 0.661, "herg": 0.05, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.4635397531656595, "aff_pf": 0.8284825881322225, "aff_hs": 1.2475764751434326, "repeats_pf": {"runs": 3, "values": [0.7326, 0.7982, 0.9547], "mean": 0.8285, "spread": 0.2221}, "repeats_hs": {"runs": 3, "values": [1.2467, 1.1085, 1.3875], "mean": 1.2476, "spread": 0.279}, "at": 1789017123}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.382, "total_ci95": [22.777, 24.225], "relegate_reason": [], "submitted_at": 1789015912, "scored_at": 1789017123, "rank": 4625}, {"candidate_id": "ODC-E7751E", "res_at": 1789909931, "skeleton": "VJQAWIZRXIXEGS", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 23.574, "axes": {"activity": 11.59, "binding": 5.4, "selectivity": 0.74, "admet": 2.38, "novelty": 1.79, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 5.81, "LE": 0.332, "potency_term": 0.27, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.985, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.558, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.418, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.295236975307898, "aff_pf": 0.18976703782876334, "aff_hs": 0.4645209511121114, "repeats_pf": {"runs": 3, "values": [0.2649, 0.0614, 0.243], "mean": 0.1898, "spread": 0.2034}, "repeats_hs": {"runs": 3, "values": [0.4623, 0.495, 0.4363], "mean": 0.4645, "spread": 0.0586}, "at": 1789909931}, "tier": 1, "alerts": [], "total_sd": 0.561, "total_ci95": [22.822, 24.976], "relegate_reason": [], "submitted_at": 1789829697, "scored_at": 1789909931, "rank": 4626}, {"candidate_id": "ODC-899F8F", "res_at": 1787888077, "skeleton": "VLGLDIKDMNUCLS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 23.573, "axes": {"activity": 12.18, "binding": 4.51, "selectivity": 0.0, "admet": 2.46, "novelty": 2.74, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 5.79, "LE": 0.256, "potency_term": 0.264, "efficiency_cap": 0.853}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.594, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.47, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.673, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.330813622578536, "aff_pf": 0.2068916211525599, "aff_hs": -0.02310165762901306, "repeats_pf": {"runs": 3, "values": [0.1363, 0.2, 0.2843], "mean": 0.2069, "spread": 0.148}, "repeats_hs": {"runs": 3, "values": [-0.0968, -0.0671, 0.0945], "mean": -0.0231, "spread": 0.1913}, "at": 1787888077}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841137, "scored_at": 1787888077, "alerts": [], "rank": 4627}, {"candidate_id": "ODC-68C6E2", "res_at": 1787590333, "skeleton": "HUAWGQCVQYYMAX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)o1", "total": 23.571, "axes": {"activity": 7.67, "binding": 7.41, "selectivity": 1.72, "admet": 2.5, "novelty": 2.89, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.06, "fraction": 0.256}, "binding": {"pIC50": 6.11, "LE": 0.364, "potency_term": 0.37, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.232, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.529, "cyp2c9-veith": 0.695, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.375, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.219, "novelty": 0.781}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.060059146141562, "aff_pf": -0.11115222175916036, "aff_hs": 0.35257431864738464, "repeats_pf": {"runs": 3, "values": [-0.1597, -0.1058, -0.068], "mean": -0.1112, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [0.403, 0.3263, 0.3284], "mean": 0.3526, "spread": 0.0767}, "at": 1787590333}, "tier": 1, "relegate_reason": [], "submitted_at": 1787588437, "scored_at": 1787590333, "alerts": [], "rank": 4628}, {"candidate_id": "ODC-85DB40", "res_at": 1787176540, "skeleton": "CTWSMIWOGPPHHJ", "hf_user": "1Dmeds", "display_name": "ODC26-FN-26", "model_name": "Claude Opus 5 series sentinel", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 23.567, "axes": {"activity": 13.02, "binding": 2.4, "selectivity": 1.05, "admet": 1.97, "novelty": 2.97, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 5.49, "LE": 0.221, "potency_term": 0.163, "efficiency_cap": 0.737}, "selectivity": {"fold": 4.4, "selectivity_term": 0.322, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.37, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.05, "dili": 0.384}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 5.380912303618406, "aff_pf": 0.5111080706119537, "aff_hs": 1.1550751527150471, "repeats_pf": {"runs": 3, "values": [0.3771, 0.543, 0.6132], "mean": 0.5111, "spread": 0.2361}, "repeats_hs": {"runs": 3, "values": [1.0559, 1.0508, 1.3585], "mean": 1.1551, "spread": 0.3077}, "at": 1787176540}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171838, "scored_at": 1787176540, "alerts": [], "rank": 4629}, {"candidate_id": "ODC-3784F4", "res_at": 1788141442, "skeleton": "CIBYAAPMIAHQHI", "hf_user": "Bio-JS", "display_name": "K4 코어호핑 퓨린(2-SCHF2-6-아릴아미노)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········cc1Br", "total": 23.566, "axes": {"activity": 13.19, "binding": 1.89, "selectivity": 0.46, "admet": 3.49, "novelty": 2.61, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.44}, "binding": {"pIC50": 5.28, "LE": 0.329, "potency_term": 0.095, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.095}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.794, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.434, "herg": 0.585, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.3911754858642915, "aff_pf": 0.7157744963963827, "aff_hs": 1.1972522338231404, "repeats_pf": {"runs": 3, "values": [0.7695, 0.7189, 0.6589], "mean": 0.7158, "spread": 0.1106}, "repeats_hs": {"runs": 3, "values": [1.2691, 1.1844, 1.1383], "mean": 1.1973, "spread": 0.1309}, "at": 1788141442}, "tier": 1, "alerts": [], "total_sd": 0.241, "total_ci95": [23.08, 23.987], "relegate_reason": [], "submitted_at": 1788139224, "scored_at": 1788141442, "rank": 4630}, {"candidate_id": "ODC-3EFCDB", "res_at": 1787320215, "skeleton": "KKZHZQWCBQABQS", "hf_user": "takutoyo", "display_name": "PfD12-25", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 23.565, "axes": {"activity": 12.91, "binding": 4.53, "selectivity": 0.2, "admet": 1.65, "novelty": 2.85, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.375, "fraction": 0.43}, "binding": {"pIC50": 5.82, "LE": 0.249, "potency_term": 0.273, "efficiency_cap": 0.83}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.37477853116362, "aff_pf": 0.1823017050822576, "aff_hs": 0.25455289085706073, "repeats_pf": {"runs": 3, "values": [0.0283, 0.3016, 0.2171], "mean": 0.1823, "spread": 0.2733}, "repeats_hs": {"runs": 3, "values": [0.2033, 0.262, 0.2983], "mean": 0.2546, "spread": 0.095}, "at": 1787320215}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315981, "scored_at": 1787320215, "alerts": [], "rank": 4631}, {"candidate_id": "ODC-7476CF", "res_at": 1787018933, "skeleton": "DQUZXDLLZUZQIU", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 23.565, "axes": {"activity": 14.79, "binding": 1.61, "selectivity": 0.0, "admet": 2.2, "novelty": 2.97, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.487, "fraction": 0.493}, "binding": {"pIC50": 5.33, "LE": 0.221, "potency_term": 0.109, "efficiency_cap": 0.737}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 0.487, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.994, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.809, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.487232624372859, "aff_pf": 0.6725212335586548, "aff_hs": 0.351667582988739, "repeats_pf": {"runs": 3, "values": [0.6908, 0.7893, 0.5376], "mean": 0.6725, "spread": 0.2517}, "repeats_hs": {"runs": 3, "values": [0.3889, 0.47, 0.1961], "mean": 0.3517, "spread": 0.2739}, "at": 1787018933}, "tier": 1, "relegate_reason": [], "submitted_at": 1787018582, "scored_at": 1787018933, "alerts": [], "rank": 4632}, {"candidate_id": "ODC-C23FFA", "res_at": 1789920186, "skeleton": "USLWMTXHWRSALF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 23.565, "axes": {"activity": 12.47, "binding": 4.16, "selectivity": 0.85, "admet": 1.87, "novelty": 2.13, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.348, "fraction": 0.416}, "binding": {"pIC50": 5.82, "LE": 0.228, "potency_term": 0.274, "efficiency_cap": 0.76}, "selectivity": {"fold": 2.1, "selectivity_term": 0.156, "target_engagement": 0.274}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.988, "ld50-zhu": 0.439, "herg": 0.05, "dili": 0.539}}, "novelty": {"max_tanimoto": 0.487, "novelty": 0.513}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "2", "pAct_q10": 5.348200017184071, "aff_pf": 0.17861167093118033, "aff_hs": 0.49070249994595844, "repeats_pf": {"runs": 3, "values": [0.1064, 0.3023, 0.1272], "mean": 0.1786, "spread": 0.1959}, "repeats_hs": {"runs": 3, "values": [0.5133, 0.5246, 0.4342], "mean": 0.4907, "spread": 0.0904}, "at": 1789920186}, "tier": 1, "alerts": [], "total_sd": 0.498, "total_ci95": [22.448, 24.285], "relegate_reason": [], "submitted_at": 1789907322, "scored_at": 1789920186, "rank": 4633}, {"candidate_id": "ODC-AE4DFE", "res_at": 1788091662, "skeleton": "GCWZDGSWBRPDRG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(c1n··········COCC1", "total": 23.554, "axes": {"activity": 14.54, "binding": 0.52, "selectivity": 0.0, "admet": 3.33, "novelty": 2.96, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.473, "fraction": 0.485}, "binding": {"pIC50": 4.6, "LE": 0.21, "potency_term": 0.037, "efficiency_cap": 0.701}, "selectivity": {"fold": 2.4, "selectivity_term": 0.193, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.233, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.684, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.472608501775836, "aff_pf": 1.3965718348821003, "aff_hs": 1.7826692660649617, "repeats_pf": {"runs": 3, "values": [1.4203, 1.2975, 1.472], "mean": 1.3966, "spread": 0.1745}, "repeats_hs": {"runs": 3, "values": [1.7731, 1.7663, 1.8086], "mean": 1.7827, "spread": 0.0424}, "at": 1788091662}, "tier": 1, "alerts": [], "total_sd": 0.059, "total_ci95": [23.457, 23.642], "relegate_reason": [], "submitted_at": 1788080580, "scored_at": 1788091662, "rank": 4634}, {"candidate_id": "ODC-7EE913", "res_at": 1789603146, "skeleton": "NDOYIAVNMKKHEG", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 23.554, "axes": {"activity": 10.94, "binding": 6.2, "selectivity": 0.99, "admet": 2.02, "novelty": 2.51, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.365}, "binding": {"pIC50": 6.1, "LE": 0.253, "potency_term": 0.367, "efficiency_cap": 0.844}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.095, "hia-hou": 0.648, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.26}}, "run": {"gpu": "0", "pAct_q10": 5.256324612268369, "aff_pf": -0.10133416453997295, "aff_hs": 0.16714023301998773, "repeats_pf": {"runs": 3, "values": [-0.1061, -0.0499, -0.148], "mean": -0.1013, "spread": 0.0981}, "repeats_hs": {"runs": 3, "values": [0.1125, 0.1037, 0.2852], "mean": 0.1671, "spread": 0.1815}, "at": 1789603146}, "tier": 1, "alerts": [], "total_sd": 0.33, "total_ci95": [22.986, 24.206], "relegate_reason": [], "submitted_at": 1789602957, "scored_at": 1789603146, "rank": 4635}, {"candidate_id": "ODC-AF8D2F", "res_at": 1788773748, "skeleton": "ZYLDHZUHCCKPRY", "hf_user": "Bio-JS", "display_name": "0906-S1-22 OCHF2/CN/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)c1Cl", "total": 23.549, "axes": {"activity": 8.62, "binding": 7.85, "selectivity": 0.57, "admet": 2.3, "novelty": 2.73, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.117, "fraction": 0.287}, "binding": {"pIC50": 6.18, "LE": 0.313, "potency_term": 0.393, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.072, "target_engagement": 0.393}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.323, "ld50-zhu": 0.762, "herg": 0.172, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.116911110748391, "aff_pf": -0.17816502849260965, "aff_hs": -0.03384498258431753, "repeats_pf": {"runs": 3, "values": [-0.3573, -0.0832, -0.094], "mean": -0.1782, "spread": 0.2741}, "repeats_hs": {"runs": 3, "values": [-0.1637, 0.0355, 0.0267], "mean": -0.0338, "spread": 0.1992}, "at": 1788773748}, "tier": 1, "alerts": [], "total_sd": 1.273, "total_ci95": [21.868, 26.343], "relegate_reason": [], "submitted_at": 1788666051, "scored_at": 1788773748, "rank": 4636}, {"candidate_id": "ODC-626663", "res_at": 1788797519, "skeleton": "UWFBZTNDRFNBPR", "hf_user": "Bio-JS", "display_name": "0907-S1-21", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········ccc12", "total": 23.548, "axes": {"activity": 12.16, "binding": 4.21, "selectivity": 0.81, "admet": 1.91, "novelty": 2.44, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.405}, "binding": {"pIC50": 5.68, "LE": 0.278, "potency_term": 0.227, "efficiency_cap": 0.927}, "selectivity": {"fold": 2.3, "selectivity_term": 0.179, "target_engagement": 0.227}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.246, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.418, "ld50-zhu": 0.477, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.329758633966043, "aff_pf": 0.31849818925062817, "aff_hs": 0.6761504809061686, "repeats_pf": {"runs": 3, "values": [0.3034, 0.406, 0.2461], "mean": 0.3185, "spread": 0.1598}, "repeats_hs": {"runs": 3, "values": [0.7628, 0.5954, 0.6703], "mean": 0.6762, "spread": 0.1674}, "at": 1788797519}, "tier": 1, "alerts": [], "total_sd": 0.396, "total_ci95": [22.735, 24.323], "relegate_reason": [], "submitted_at": 1788707759, "scored_at": 1788797519, "rank": 4637}, {"candidate_id": "ODC-057B29", "res_at": 1787890711, "skeleton": "XXNIQMLZGOIFLP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-06", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 23.541, "axes": {"activity": 13.18, "binding": 3.27, "selectivity": 0.0, "admet": 2.61, "novelty": 2.74, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.391, "fraction": 0.439}, "binding": {"pIC50": 5.61, "LE": 0.24, "potency_term": 0.204, "efficiency_cap": 0.801}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.204}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.973, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.608, "herg": 0.384, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 5.390742935673139, "aff_pf": 0.38725993037223816, "aff_hs": 0.32776711384455365, "repeats_pf": {"runs": 3, "values": [0.3733, 0.3821, 0.4063], "mean": 0.3873, "spread": 0.033}, "repeats_hs": {"runs": 3, "values": [0.2971, 0.2069, 0.4793], "mean": 0.3278, "spread": 0.2724}, "at": 1787890711}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841180, "scored_at": 1787890711, "alerts": [], "rank": 4638}, {"candidate_id": "ODC-4739EA", "res_at": 1787215764, "skeleton": "NGCVWZJUFBWVQE", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········C1CC1", "total": 23.537, "axes": {"activity": 10.6, "binding": 6.29, "selectivity": 0.11, "admet": 2.37, "novelty": 2.57, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.353}, "binding": {"pIC50": 6.03, "LE": 0.275, "potency_term": 0.343, "efficiency_cap": 0.918}, "selectivity": {"fold": 1.1, "selectivity_term": 0.016, "target_engagement": 0.343}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.582, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.23586378567418, "aff_pf": -0.028115729490915935, "aff_hs": 0.003449047605196635, "repeats_pf": {"runs": 3, "values": [-0.0586, 0.0199, -0.0456], "mean": -0.0281, "spread": 0.0785}, "repeats_hs": {"runs": 3, "values": [0.0024, -0.0244, 0.0324], "mean": 0.0034, "spread": 0.0568}, "at": 1787215764}, "tier": 1, "relegate_reason": [], "submitted_at": 1787214429, "scored_at": 1787215764, "alerts": [], "rank": 4639}, {"candidate_id": "ODC-54BC7C", "res_at": 1787891234, "skeleton": "VZALTNIDIONUQX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-18", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 23.537, "axes": {"activity": 11.59, "binding": 6.0, "selectivity": 0.26, "admet": 2.05, "novelty": 2.04, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 6.02, "LE": 0.266, "potency_term": 0.338, "efficiency_cap": 0.886}, "selectivity": {"fold": 1.2, "selectivity_term": 0.039, "target_engagement": 0.338}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.457, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.472, "novelty": 0.528}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.295357486872044, "aff_pf": -0.0150373342136542, "aff_hs": 0.062205106019973755, "repeats_pf": {"runs": 3, "values": [-0.0406, -0.0208, 0.0163], "mean": -0.015, "spread": 0.0569}, "repeats_hs": {"runs": 3, "values": [0.1924, 0.0094, -0.0151], "mean": 0.0622, "spread": 0.2075}, "at": 1787891234}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841289, "scored_at": 1787891234, "alerts": [], "rank": 4640}, {"candidate_id": "ODC-A62486", "res_at": 1789523640, "skeleton": "OJSWHGOVSNQSGX", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)nn12", "total": 23.533, "axes": {"activity": 13.23, "binding": 2.47, "selectivity": 1.21, "admet": 2.71, "novelty": 2.68, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 5.47, "LE": 0.234, "potency_term": 0.158, "efficiency_cap": 0.781}, "selectivity": {"fold": 5.8, "selectivity_term": 0.384, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.32, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.879, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 4.04}}, "run": {"gpu": "0", "pAct_q10": 5.393875558148717, "aff_pf": 0.526209811369578, "aff_hs": 1.293346643447876, "repeats_pf": {"runs": 3, "values": [0.5017, 0.5631, 0.5138], "mean": 0.5262, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [1.3443, 1.2643, 1.2714], "mean": 1.2933, "spread": 0.08}, "at": 1789523640}, "tier": 1, "alerts": [], "total_sd": 0.151, "total_ci95": [23.177, 23.778], "relegate_reason": [], "submitted_at": 1789522299, "scored_at": 1789523640, "rank": 4641}, {"candidate_id": "ODC-2D1CE5", "res_at": 1789123655, "skeleton": "ZZTPNFWWQFHEPZ", "hf_user": "Bio-JS", "display_name": "0911-S1-x_CNC_b", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 23.53, "axes": {"activity": 9.45, "binding": 5.07, "selectivity": 2.77, "admet": 2.86, "novelty": 2.04, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.167, "fraction": 0.315}, "binding": {"pIC50": 5.76, "LE": 0.329, "potency_term": 0.253, "efficiency_cap": 1.0}, "selectivity": {"fold": 12.4, "selectivity_term": 0.546, "target_engagement": 0.253}, "admet": {"geometric_mean": 0.606, "per_endpoint": {"solubility-aqsoldb": 0.51, "caco2-wang": 0.89, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.442, "herg": 0.644, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.166984225801844, "aff_pf": 0.2395541469256083, "aff_hs": 1.3321071863174438, "repeats_pf": {"runs": 3, "values": [0.2536, 0.2569, 0.2081], "mean": 0.2396, "spread": 0.0488}, "repeats_hs": {"runs": 3, "values": [1.1952, 1.4501, 1.351], "mean": 1.3321, "spread": 0.2548}, "at": 1789123655}, "tier": 1, "alerts": [], "total_sd": 0.21, "total_ci95": [23.139, 24.024], "relegate_reason": [], "submitted_at": 1789117117, "scored_at": 1789123655, "rank": 4642}, {"candidate_id": "ODC-9B366B", "res_at": 1789071614, "skeleton": "XGMRGVYGYBGIIA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCOCC··········#N)c1", "total": 23.529, "axes": {"activity": 14.62, "binding": 1.2, "selectivity": 0.0, "admet": 2.21, "novelty": 3.28, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 5.27, "LE": 0.201, "potency_term": 0.09, "efficiency_cap": 0.668}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.09}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.603, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.4773817303696175, "aff_pf": 0.7306230664253235, "aff_hs": 0.6549101869265238, "repeats_pf": {"runs": 3, "values": [0.6634, 0.8404, 0.6881], "mean": 0.7306, "spread": 0.177}, "repeats_hs": {"runs": 3, "values": [0.6557, 0.5097, 0.7994], "mean": 0.6549, "spread": 0.2897}, "at": 1789071614}, "tier": 1, "alerts": [], "total_sd": 0.233, "total_ci95": [23.025, 23.896], "relegate_reason": [], "submitted_at": 1789045949, "scored_at": 1789071614, "rank": 4643}, {"candidate_id": "ODC-81AA05", "res_at": 1789955156, "skeleton": "KOUXUGMALWOSQW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 23.52, "axes": {"activity": 14.58, "binding": 0.48, "selectivity": 0.0, "admet": 2.98, "novelty": 3.39, "synthesis": 2.09}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 5.11, "LE": 0.2, "potency_term": 0.036, "efficiency_cap": 0.666}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.036}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.578, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.583, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.597, "herg": 0.05, "dili": 0.766}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.474646388088767, "aff_pf": 0.8925597866376241, "aff_hs": 0.8242895404497782, "repeats_pf": {"runs": 3, "values": [0.9307, 0.953, 0.794], "mean": 0.8926, "spread": 0.1591}, "repeats_hs": {"runs": 3, "values": [0.7936, 0.8095, 0.8698], "mean": 0.8243, "spread": 0.0762}, "at": 1789955156}, "tier": 1, "alerts": [], "total_sd": 0.166, "total_ci95": [23.249, 23.768], "relegate_reason": [], "submitted_at": 1789863635, "scored_at": 1789955156, "rank": 4644}, {"candidate_id": "ODC-15989D", "res_at": 1787897437, "skeleton": "PDFCUWBKMNUCKO", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········(C)n1", "total": 23.511, "axes": {"activity": 11.16, "binding": 5.05, "selectivity": 0.91, "admet": 2.34, "novelty": 2.6, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 6.0, "LE": 0.228, "potency_term": 0.332, "efficiency_cap": 0.761}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.332}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.38, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.505, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.588, "herg": 0.459, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.269553730987532, "aff_pf": 0.003439048926035563, "aff_hs": 0.2782572954893112, "repeats_pf": {"runs": 3, "values": [-0.1721, 0.0596, 0.1228], "mean": 0.0034, "spread": 0.2948}, "repeats_hs": {"runs": 3, "values": [0.2277, 0.3454, 0.2617], "mean": 0.2783, "spread": 0.1178}, "at": 1787897437}, "tier": 1, "relegate_reason": [], "submitted_at": 1787876658, "scored_at": 1787897437, "alerts": [], "rank": 4645}, {"candidate_id": "ODC-89ABE3", "res_at": 1788452681, "skeleton": "KBSCLJAQJYVUQQ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCO/N=C··········2)CC1", "total": 23.495, "axes": {"activity": 14.25, "binding": 0.84, "selectivity": 0.0, "admet": 2.92, "novelty": 3.5, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.455, "fraction": 0.475}, "binding": {"pIC50": 5.19, "LE": 0.203, "potency_term": 0.062, "efficiency_cap": 0.677}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.062}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 0.457, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.645, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.822, "herg": 0.05, "dili": 0.857}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.454973134391356, "aff_pf": 0.8145247101783752, "aff_hs": 0.7646883477767309, "repeats_pf": {"runs": 3, "values": [0.6737, 0.7702, 0.9997], "mean": 0.8145, "spread": 0.326}, "repeats_hs": {"runs": 3, "values": [1.1605, 0.1771, 0.9565], "mean": 0.7647, "spread": 0.9833}, "at": 1788452681}, "tier": 1, "alerts": [], "total_sd": 0.429, "total_ci95": [22.659, 24.325], "relegate_reason": [], "submitted_at": 1788394106, "scored_at": 1788452681, "rank": 4646}, {"candidate_id": "ODC-6DA639", "res_at": 1788981468, "skeleton": "YTNYQKKJUUIUEC", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········[nH]1", "total": 23.491, "axes": {"activity": 6.4, "binding": 7.79, "selectivity": 2.07, "admet": 2.81, "novelty": 2.51, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 4.984, "fraction": 0.213}, "binding": {"pIC50": 6.17, "LE": 0.384, "potency_term": 0.389, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.389}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.436, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 4.983889462719276, "aff_pf": -0.16802110274632773, "aff_hs": 0.3631199598312378, "repeats_pf": {"runs": 3, "values": [-0.1278, -0.1871, -0.1892], "mean": -0.168, "spread": 0.0613}, "repeats_hs": {"runs": 3, "values": [0.2928, 0.3895, 0.4071], "mean": 0.3631, "spread": 0.1143}, "at": 1788981468}, "tier": 1, "alerts": [], "total_sd": 0.337, "total_ci95": [22.857, 24.033], "relegate_reason": [], "submitted_at": 1788972180, "scored_at": 1788981468, "rank": 4647}, {"candidate_id": "ODC-9CB884", "res_at": 1787177103, "skeleton": "HOPCVZMVEUMNSS", "hf_user": "1Dmeds", "display_name": "ODC26-FN-29", "model_name": "Claude Opus 5 series sentinel", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 23.49, "axes": {"activity": 12.8, "binding": 3.94, "selectivity": 0.07, "admet": 1.75, "novelty": 2.96, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.368, "fraction": 0.427}, "binding": {"pIC50": 5.76, "LE": 0.232, "potency_term": 0.255, "efficiency_cap": 0.774}, "selectivity": {"fold": 1.1, "selectivity_term": 0.013, "target_engagement": 0.255}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.329}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.368156888467583, "aff_pf": 0.23579438775777817, "aff_hs": 0.2615732401609421, "repeats_pf": {"runs": 3, "values": [0.2364, 0.079, 0.392], "mean": 0.2358, "spread": 0.313}, "repeats_hs": {"runs": 3, "values": [0.2458, 0.152, 0.3869], "mean": 0.2616, "spread": 0.2349}, "at": 1787177103}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171866, "scored_at": 1787177103, "alerts": [], "rank": 4648}, {"candidate_id": "ODC-4E3F17", "res_at": 1786857822, "skeleton": "SEXBHWLLUGACBC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 23.485, "axes": {"activity": 0.09, "binding": 10.26, "selectivity": 4.17, "admet": 3.54, "novelty": 3.17, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 4.605, "fraction": 0.003}, "binding": {"pIC50": 6.54, "LE": 0.389, "potency_term": 0.513, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.393, "cyp3a4-substrate-carbonmangels": 0.246, "ld50-zhu": 0.312, "herg": 0.547, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 4.605290534799776, "aff_pf": -0.5385465025901794, "aff_hs": 0.273943692445755, "repeats_pf": {"runs": 3, "values": [-0.5642, -0.5352, -0.5163], "mean": -0.5385, "spread": 0.0479}, "repeats_hs": {"runs": 3, "values": [0.2023, 0.3166, 0.3029], "mean": 0.2739, "spread": 0.1144}, "at": 1786857822}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848310, "scored_at": 1786857822, "alerts": [], "rank": 4649}, {"candidate_id": "ODC-E98317", "res_at": 1786853647, "skeleton": "DRJMLNXWLKNODA", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2c1", "total": 23.481, "axes": {"activity": 1.46, "binding": 9.47, "selectivity": 4.93, "admet": 3.07, "novelty": 2.33, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 4.688, "fraction": 0.049}, "binding": {"pIC50": 6.42, "LE": 0.382, "potency_term": 0.473, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.0, "selectivity_term": 0.521, "target_engagement": 0.473}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.24, "herg": 0.614, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 4.687690732932223, "aff_pf": -0.419864555199941, "aff_hs": 0.6228307882944742, "repeats_pf": {"runs": 3, "values": [-0.4805, -0.3914, -0.3878], "mean": -0.4199, "spread": 0.0927}, "repeats_hs": {"runs": 3, "values": [0.5313, 0.6762, 0.661], "mean": 0.6228, "spread": 0.1449}, "at": 1786853647}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847560, "scored_at": 1786853647, "alerts": [], "rank": 4650}, {"candidate_id": "ODC-8B67B8", "res_at": 1786867963, "skeleton": "FSFPVCYODUGDJS", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN=S1(=··········)cc21", "total": 23.479, "axes": {"activity": 10.13, "binding": 6.44, "selectivity": 0.71, "admet": 2.68, "novelty": 2.54, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 5.97, "LE": 0.355, "potency_term": 0.322, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.11, "target_engagement": 0.322}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.922, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.416, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.7, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.246, "novelty": 0.754}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "2", "pAct_q10": 5.207763018143978, "aff_pf": 0.03399582952260971, "aff_hs": 0.2533722271521886, "repeats_pf": {"runs": 3, "values": [0.0593, 0.0288, 0.0139], "mean": 0.034, "spread": 0.0454}, "repeats_hs": {"runs": 3, "values": [0.3218, 0.2401, 0.1982], "mean": 0.2534, "spread": 0.1236}, "at": 1786867963}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859416, "scored_at": 1786867963, "alerts": [], "rank": 4651}, {"candidate_id": "ODC-60EACA", "res_at": 1787922481, "skeleton": "BCTBQPDBADJFHB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 23.477, "axes": {"activity": 13.88, "binding": 0.04, "selectivity": 0.0, "admet": 4.44, "novelty": 2.96, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 3.7, "LE": 0.159, "potency_term": 0.004, "efficiency_cap": 0.529}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.64, "per_endpoint": {"solubility-aqsoldb": 0.7, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.989, "cyp3a4-substrate-carbonmangels": 0.338, "ld50-zhu": 0.59, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.432835196158643, "aff_pf": 2.2962602774302163, "aff_hs": 1.960651437441508, "repeats_pf": {"runs": 3, "values": [2.3371, 2.641, 1.9106], "mean": 2.2963, "spread": 0.7304}, "repeats_hs": {"runs": 3, "values": [1.6379, 1.6964, 2.5477], "mean": 1.9607, "spread": 0.9098}, "at": 1787922481}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898925, "scored_at": 1787922481, "alerts": [], "rank": 4652}, {"candidate_id": "ODC-A6AECB", "res_at": 1787056070, "skeleton": "OPVYMUNVUQFSEU", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C1)C2", "total": 23.473, "axes": {"activity": 14.48, "binding": 1.12, "selectivity": 0.13, "admet": 3.15, "novelty": 3.06, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.469, "fraction": 0.483}, "binding": {"pIC50": 5.18, "LE": 0.284, "potency_term": 0.059, "efficiency_cap": 0.946}, "selectivity": {"fold": 1.6, "selectivity_term": 0.106, "target_engagement": 0.059}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.751, "herg": 0.061, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "2", "pAct_q10": 5.468602368305275, "aff_pf": 0.8217719594637553, "aff_hs": 1.0329468647638957, "repeats_pf": {"runs": 3, "values": [0.8076, 0.7817, 0.8761], "mean": 0.8218, "spread": 0.0944}, "repeats_hs": {"runs": 3, "values": [0.943, 1.2459, 0.9099], "mean": 1.0329, "spread": 0.3361}, "at": 1787056070}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055628, "scored_at": 1787056070, "alerts": [], "rank": 4653}, {"candidate_id": "ODC-6C1B7F", "res_at": 1786846761, "skeleton": "PUPGEXINNOBKQK", "hf_user": "ALEX32321", "display_name": "ALEXAI-Final8-V14-CoreOMe", "model_name": "OpenCrab-ALEXAI final-8 benchmark v0.4", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 23.471, "axes": {"activity": 9.83, "binding": 5.58, "selectivity": 2.17, "admet": 2.93, "novelty": 1.55, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 5.84, "LE": 0.381, "potency_term": 0.279, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.279}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.508, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.634, "ld50-zhu": 0.423, "herg": 0.332, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.527, "novelty": 0.473}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.1898802528666765, "aff_pf": 0.1632497857014338, "aff_hs": 0.9406594435373942, "repeats_pf": {"runs": 3, "values": [0.0514, 0.2253, 0.2131], "mean": 0.1632, "spread": 0.1739}, "repeats_hs": {"runs": 3, "values": [0.9014, 0.9843, 0.9363], "mean": 0.9407, "spread": 0.0829}, "at": 1786846761}, "tier": 1, "relegate_reason": [], "submitted_at": 1786837563, "scored_at": 1786846761, "alerts": [], "rank": 4654}, {"candidate_id": "ODC-54FE29", "res_at": 1790000378, "skeleton": "ZTAREGXYBBXSHW", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 23.466, "axes": {"activity": 14.72, "binding": 0.81, "selectivity": 0.0, "admet": 2.38, "novelty": 3.44, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.483, "fraction": 0.491}, "binding": {"pIC50": 4.82, "LE": 0.189, "potency_term": 0.064, "efficiency_cap": 0.629}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.055, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.784, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.483248538577063, "aff_pf": 1.177552342414856, "aff_hs": 0.9153604507446289, "repeats_pf": {"runs": 3, "values": [1.0476, 1.3231, 1.1619], "mean": 1.1776, "spread": 0.2755}, "repeats_hs": {"runs": 3, "values": [1.0347, 0.9598, 0.7517], "mean": 0.9154, "spread": 0.283}, "at": 1790000378}, "tier": 1, "alerts": [], "total_sd": 0.145, "total_ci95": [23.203, 23.806], "relegate_reason": [], "submitted_at": 1789993059, "scored_at": 1790000378, "rank": 4655}, {"candidate_id": "ODC-71E09F", "res_at": 1787049817, "skeleton": "ZWSNFXFZXWEMMU", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 23.461, "axes": {"activity": 12.78, "binding": 4.48, "selectivity": 0.0, "admet": 3.51, "novelty": 1.29, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 5.7, "LE": 0.289, "potency_term": 0.233, "efficiency_cap": 0.964}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.233}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.573, "ld50-zhu": 0.736, "herg": 0.195, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 5.366646119675413, "aff_pf": 0.3021247088909149, "aff_hs": 0.2648949772119522, "repeats_pf": {"runs": 3, "values": [0.3539, 0.2881, 0.2643], "mean": 0.3021, "spread": 0.0896}, "repeats_hs": {"runs": 3, "values": [0.2386, 0.1943, 0.3618], "mean": 0.2649, "spread": 0.1675}, "at": 1787049817}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044656, "scored_at": 1787049817, "alerts": [], "rank": 4656}, {"candidate_id": "ODC-97B571", "res_at": 1787349946, "skeleton": "JJLBQJXAYJCTHH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 23.445, "axes": {"activity": 13.15, "binding": 3.64, "selectivity": 0.0, "admet": 1.93, "novelty": 2.54, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.438}, "binding": {"pIC50": 5.67, "LE": 0.243, "potency_term": 0.225, "efficiency_cap": 0.81}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.225}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.332, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 2.08}}, "run": {"gpu": "3", "pAct_q10": 5.388714764011348, "aff_pf": 0.3254434348394473, "aff_hs": -0.24484830598036447, "repeats_pf": {"runs": 3, "values": [0.0297, 0.3359, 0.6108], "mean": 0.3254, "spread": 0.5811}, "repeats_hs": {"runs": 3, "values": [-0.2565, -0.3337, -0.1443], "mean": -0.2448, "spread": 0.1894}, "at": 1787349946}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347657, "scored_at": 1787349946, "alerts": [], "rank": 4657}, {"candidate_id": "ODC-43EF81", "res_at": 1789121138, "skeleton": "GFOGGDRPGUMORK", "hf_user": "Bio-JS", "display_name": "0911-S1-cross_COC", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 23.444, "axes": {"activity": 9.54, "binding": 6.75, "selectivity": 1.68, "admet": 2.34, "novelty": 1.71, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.173, "fraction": 0.318}, "binding": {"pIC50": 6.01, "LE": 0.329, "potency_term": 0.337, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.249, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.879, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.716, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.357, "herg": 0.394, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.172526024528601, "aff_pf": -0.01199637974301974, "aff_hs": 0.4861384133497874, "repeats_pf": {"runs": 3, "values": [0.0319, -0.0646, -0.0033], "mean": -0.012, "spread": 0.0964}, "repeats_hs": {"runs": 3, "values": [0.499, 0.46, 0.4994], "mean": 0.4861, "spread": 0.0393}, "at": 1789121138}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [22.741, 24.352], "relegate_reason": [], "submitted_at": 1789117061, "scored_at": 1789121138, "rank": 4658}, {"candidate_id": "ODC-F8CD7F", "res_at": 1788327540, "skeleton": "AKFHJYJDLUTMTN", "hf_user": "Bio-JS", "display_name": "0902C-S1-12", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 23.438, "axes": {"activity": 12.37, "binding": 4.06, "selectivity": 0.84, "admet": 1.97, "novelty": 2.67, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 5.72, "LE": 0.253, "potency_term": 0.241, "efficiency_cap": 0.843}, "selectivity": {"fold": 2.2, "selectivity_term": 0.175, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.473, "herg": 0.05, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.341926718937591, "aff_pf": 0.27695778012275696, "aff_hs": 0.6263379255930582, "repeats_pf": {"runs": 3, "values": [0.4261, 0.1493, 0.2554], "mean": 0.277, "spread": 0.2768}, "repeats_hs": {"runs": 3, "values": [0.6473, 0.6923, 0.5394], "mean": 0.6263, "spread": 0.1529}, "at": 1788327540}, "tier": 1, "alerts": [], "total_sd": 0.614, "total_ci95": [22.454, 24.671], "relegate_reason": [], "submitted_at": 1788327247, "scored_at": 1788327540, "rank": 4659}, {"candidate_id": "ODC-A9F867", "res_at": 1786980424, "skeleton": "XIVALVKSOOWYEY", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········(F)c1", "total": 23.433, "axes": {"activity": 13.38, "binding": 0.49, "selectivity": 0.0, "admet": 4.62, "novelty": 2.93, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.403, "fraction": 0.446}, "binding": {"pIC50": 4.5, "LE": 0.257, "potency_term": 0.029, "efficiency_cap": 0.856}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.69, "per_endpoint": {"solubility-aqsoldb": 0.672, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.984, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.51, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.402804387198841, "aff_pf": 1.4998094240824382, "aff_hs": 1.45606795946757, "repeats_pf": {"runs": 3, "values": [1.5447, 1.5432, 1.4114], "mean": 1.4998, "spread": 0.1333}, "repeats_hs": {"runs": 3, "values": [1.4285, 1.3954, 1.5443], "mean": 1.4561, "spread": 0.1488}, "at": 1786980424}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977342, "scored_at": 1786980424, "alerts": [], "rank": 4660}, {"candidate_id": "ODC-C85A0B", "res_at": 1789435675, "skeleton": "VLRNWAOKIXFNEZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 23.42, "axes": {"activity": 9.18, "binding": 7.09, "selectivity": 1.62, "admet": 2.53, "novelty": 1.93, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.151, "fraction": 0.306}, "binding": {"pIC50": 6.14, "LE": 0.28, "potency_term": 0.38, "efficiency_cap": 0.934}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.38}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.904, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.928, "ld50-zhu": 0.696, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "0", "pAct_q10": 5.150538107301088, "aff_pf": -0.1387081096569697, "aff_hs": 0.2889312133193016, "repeats_pf": {"runs": 3, "values": [-0.2326, 0.0057, -0.1892], "mean": -0.1387, "spread": 0.2383}, "repeats_hs": {"runs": 3, "values": [0.4237, 0.0817, 0.3614], "mean": 0.2889, "spread": 0.3419}, "at": 1789435675}, "tier": 1, "alerts": [], "total_sd": 1.07, "total_ci95": [21.307, 25.374], "relegate_reason": [], "submitted_at": 1789434986, "scored_at": 1789435675, "rank": 4661}, {"candidate_id": "ODC-F6FB25", "res_at": 1789077284, "skeleton": "MTRDGIOHNCHGAC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········cc2O1", "total": 23.417, "axes": {"activity": 11.08, "binding": 4.83, "selectivity": 1.82, "admet": 1.58, "novelty": 2.34, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.369}, "binding": {"pIC50": 5.82, "LE": 0.266, "potency_term": 0.273, "efficiency_cap": 0.886}, "selectivity": {"fold": 4.6, "selectivity_term": 0.333, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.421, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.239}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.264752387737365, "aff_pf": 0.18214682241280875, "aff_hs": 0.8488682905832926, "repeats_pf": {"runs": 3, "values": [-0.0275, 0.3619, 0.212], "mean": 0.1821, "spread": 0.3894}, "repeats_hs": {"runs": 3, "values": [1.0343, 0.7076, 0.8047], "mean": 0.8489, "spread": 0.3267}, "at": 1789077284}, "tier": 1, "alerts": [], "total_sd": 1.14, "total_ci95": [21.689, 26.057], "relegate_reason": [], "submitted_at": 1789046021, "scored_at": 1789077284, "rank": 4662}, {"candidate_id": "ODC-CC61E9", "res_at": 1787367957, "skeleton": "WPVFPNKOEHFMGH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 23.414, "axes": {"activity": 13.5, "binding": 1.08, "selectivity": 0.0, "admet": 3.92, "novelty": 3.4, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 5.19, "LE": 0.254, "potency_term": 0.064, "efficiency_cap": 0.847}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.064}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.615, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.78, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 5.409842654919037, "aff_pf": 0.8078814744949341, "aff_hs": 0.5666088660558065, "repeats_pf": {"runs": 3, "values": [0.8564, 0.8079, 0.7593], "mean": 0.8079, "spread": 0.0972}, "repeats_hs": {"runs": 3, "values": [0.5919, 0.5256, 0.5823], "mean": 0.5666, "spread": 0.0663}, "at": 1787367957}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364823, "scored_at": 1787367957, "alerts": [], "rank": 4663}, {"candidate_id": "ODC-836E23", "res_at": 1788781074, "skeleton": "BDHOYTADGIVJEP", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-CHAMP03]", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 23.41, "axes": {"activity": 13.36, "binding": 3.18, "selectivity": 0.02, "admet": 1.86, "novelty": 2.77, "synthesis": 2.23}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 5.61, "LE": 0.233, "potency_term": 0.205, "efficiency_cap": 0.777}, "selectivity": {"fold": 1.0, "selectivity_term": 0.005, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.631, "ld50-zhu": 0.476, "herg": 0.05, "dili": 0.467}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "0", "pAct_q10": 5.401343923279942, "aff_pf": 0.3857410748799642, "aff_hs": 0.395714670419693, "repeats_pf": {"runs": 3, "values": [0.3719, 0.4402, 0.3451], "mean": 0.3857, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [0.5635, 0.4212, 0.2024], "mean": 0.3957, "spread": 0.3612}, "at": 1788781074}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.175, "total_ci95": [23.133, 23.829], "relegate_reason": [], "submitted_at": 1788670869, "scored_at": 1788781074, "rank": 4664}, {"candidate_id": "ODC-B9145F", "res_at": 1787279809, "skeleton": "ZTMRCAVEUVVQKH", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 23.398, "axes": {"activity": 14.19, "binding": 2.47, "selectivity": 0.0, "admet": 3.3, "novelty": 1.79, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.451, "fraction": 0.473}, "binding": {"pIC50": 5.39, "LE": 0.284, "potency_term": 0.131, "efficiency_cap": 0.947}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.131}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.982, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.579, "herg": 0.05, "dili": 0.504}}, "novelty": {"max_tanimoto": 0.621, "novelty": 0.379}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.4512869804684305, "aff_pf": 0.6080497900644938, "aff_hs": 0.16250833868980408, "repeats_pf": {"runs": 3, "values": [0.6761, 0.5981, 0.55], "mean": 0.608, "spread": 0.1262}, "repeats_hs": {"runs": 3, "values": [0.2739, 0.1022, 0.1115], "mean": 0.1625, "spread": 0.1717}, "at": 1787279809}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276157, "scored_at": 1787279809, "alerts": [], "rank": 4665}, {"candidate_id": "ODC-4903C2", "res_at": 1787897157, "skeleton": "AXLQKYPUPVEEOO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-26", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········N)CC1", "total": 23.397, "axes": {"activity": 12.61, "binding": 4.33, "selectivity": 0.0, "admet": 1.95, "novelty": 3.04, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 5.83, "LE": 0.235, "potency_term": 0.276, "efficiency_cap": 0.783}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.127, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "0", "pAct_q10": 5.35634406042137, "aff_pf": 0.17105703552563986, "aff_hs": -0.3290500541528066, "repeats_pf": {"runs": 3, "values": [0.0947, 0.3688, 0.0497], "mean": 0.1711, "spread": 0.3191}, "repeats_hs": {"runs": 3, "values": [-0.1843, -0.3562, -0.4466], "mean": -0.3291, "spread": 0.2622}, "at": 1787897157}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841472, "scored_at": 1787897157, "alerts": [], "rank": 4666}, {"candidate_id": "ODC-CE3B1D", "res_at": 1789090049, "skeleton": "YSPFVGMUQJISIV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(N)c1··········nc2n1", "total": 23.397, "axes": {"activity": 15.72, "binding": 0.33, "selectivity": 0.08, "admet": 3.75, "novelty": 2.11, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.543, "fraction": 0.524}, "binding": {"pIC50": 5.06, "LE": 0.239, "potency_term": 0.021, "efficiency_cap": 0.797}, "selectivity": {"fold": 2.5, "selectivity_term": 0.198, "target_engagement": 0.021}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.606, "caco2-wang": 0.459, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.969, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.678, "herg": 0.075, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "0", "pAct_q10": 5.543394582500409, "aff_pf": 0.9371947050094604, "aff_hs": 1.333683172861735, "repeats_pf": {"runs": 3, "values": [0.9378, 0.8985, 0.9753], "mean": 0.9372, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [1.3324, 1.3239, 1.3448], "mean": 1.3337, "spread": 0.0209}, "at": 1789090049}, "tier": 1, "alerts": [], "total_sd": 0.127, "total_ci95": [23.14, 23.67], "relegate_reason": [], "submitted_at": 1789088700, "scored_at": 1789090049, "rank": 4667}, {"candidate_id": "ODC-890473", "res_at": 1788978303, "skeleton": "ULTCWBKUIDTVEF", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········[nH]1", "total": 23.37, "axes": {"activity": 9.3, "binding": 6.64, "selectivity": 1.82, "admet": 2.11, "novelty": 1.85, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.158, "fraction": 0.31}, "binding": {"pIC50": 6.0, "LE": 0.342, "potency_term": 0.332, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.332}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.914, "ld50-zhu": 0.509, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "0", "pAct_q10": 5.158046856847101, "aff_pf": 0.0045608629782994585, "aff_hs": 0.5524576008319855, "repeats_pf": {"runs": 3, "values": [-0.0513, -0.0086, 0.0736], "mean": 0.0046, "spread": 0.125}, "repeats_hs": {"runs": 3, "values": [0.6364, 0.5288, 0.4922], "mean": 0.5525, "spread": 0.1442}, "at": 1788978303}, "tier": 1, "alerts": [], "total_sd": 0.55, "total_ci95": [22.239, 24.355], "relegate_reason": [], "submitted_at": 1788971842, "scored_at": 1788978303, "rank": 4668}, {"candidate_id": "ODC-3C8786", "res_at": 1787034840, "skeleton": "FBXHZQMESDSXLN", "hf_user": "epicsaga", "display_name": "PFD2-08", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········cc2n1", "total": 23.369, "axes": {"activity": 14.65, "binding": 0.28, "selectivity": 0.0, "admet": 3.53, "novelty": 2.48, "synthesis": 2.44}, "detail": {"activity": {"pAct_q10": 5.479, "fraction": 0.488}, "binding": {"pIC50": 5.06, "LE": 0.217, "potency_term": 0.019, "efficiency_cap": 0.722}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.627, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.518, "ld50-zhu": 0.802, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 5.478970074003054, "aff_pf": 0.9426400661468506, "aff_hs": 0.5147097806135813, "repeats_pf": {"runs": 3, "values": [0.8892, 0.9366, 1.0021], "mean": 0.9426, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [0.3663, 0.4866, 0.6912], "mean": 0.5147, "spread": 0.3249}, "at": 1787034840}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032435, "scored_at": 1787034840, "alerts": [], "rank": 4669}, {"candidate_id": "ODC-77A50B", "res_at": 1788053891, "skeleton": "WUOCQACORPWNKF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 23.36, "axes": {"activity": 8.35, "binding": 6.65, "selectivity": 3.11, "admet": 2.91, "novelty": 0.98, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 6.0, "LE": 0.357, "potency_term": 0.333, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.6, "selectivity_term": 0.468, "target_engagement": 0.333}, "admet": {"geometric_mean": 0.584, "per_endpoint": {"solubility-aqsoldb": 0.726, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.946, "cyp3a4-substrate-carbonmangels": 0.438, "ld50-zhu": 0.241, "herg": 1.0, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.100776770408923, "aff_pf": 0.0020364622275034585, "aff_hs": 0.9377890229225159, "repeats_pf": {"runs": 3, "values": [0.0477, -0.1251, 0.0836], "mean": 0.002, "spread": 0.2087}, "repeats_hs": {"runs": 3, "values": [0.9222, 0.9651, 0.9261], "mean": 0.9378, "spread": 0.0429}, "at": 1788053891}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.969, "total_ci95": [21.888, 25.749], "relegate_reason": [], "submitted_at": 1788007036, "scored_at": 1788053891, "rank": 4670}, {"candidate_id": "ODC-C7BC94", "res_at": 1787270382, "skeleton": "KGHPDHDXQLAFSA", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCCCCc1ccc(S(=O)(=O)c2ccc3[nH]ccc3c2)c(O)c1", "smiles_masked": null, "total": 23.343, "axes": {"activity": 2.73, "binding": 10.5, "selectivity": 0.0, "admet": 3.93, "novelty": 3.55, "synthesis": 2.63}, "detail": {"activity": {"pAct_q10": 4.764, "fraction": 0.091}, "binding": {"pIC50": 6.58, "LE": 0.375, "potency_term": 0.525, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.583, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.358, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.8, "ld50-zhu": 0.535, "herg": 0.61, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 4.7638366055827115, "aff_pf": -0.5753258069356283, "aff_hs": -0.6281543175379435, "repeats_pf": {"runs": 3, "values": [-0.5748, -0.4375, -0.7137], "mean": -0.5753, "spread": 0.2761}, "repeats_hs": {"runs": 3, "values": [-0.6218, -0.5283, -0.7343], "mean": -0.6282, "spread": 0.206}, "at": 1787270382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269817, "scored_at": 1787270382, "alerts": [], "rank": 4671}, {"candidate_id": "ODC-9743AC", "res_at": 1788978892, "skeleton": "PPJRQSGLDSTSBB", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········[nH]1", "total": 23.34, "axes": {"activity": 9.48, "binding": 5.99, "selectivity": 1.97, "admet": 2.26, "novelty": 2.07, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.169, "fraction": 0.316}, "binding": {"pIC50": 5.9, "LE": 0.337, "potency_term": 0.3, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.329, "target_engagement": 0.3}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.913, "ld50-zhu": 0.511, "herg": 0.443, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.168568869641357, "aff_pf": 0.10145648817221324, "aff_hs": 0.7591169675191244, "repeats_pf": {"runs": 3, "values": [0.0622, 0.1611, 0.0811], "mean": 0.1015, "spread": 0.0989}, "repeats_hs": {"runs": 3, "values": [0.7789, 0.7291, 0.7693], "mean": 0.7591, "spread": 0.0499}, "at": 1788978892}, "tier": 1, "alerts": [], "total_sd": 0.315, "total_ci95": [22.645, 23.8], "relegate_reason": [], "submitted_at": 1788971902, "scored_at": 1788978892, "rank": 4672}, {"candidate_id": "ODC-11BF31", "res_at": 1786843134, "skeleton": "NTDAVEUJPUHTMJ", "hf_user": "1Dmeds", "display_name": "ODC26-KO-01R", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 23.339, "axes": {"activity": 10.85, "binding": 5.54, "selectivity": 3.4, "admet": 1.75, "novelty": 0.0, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 5.83, "LE": 0.32, "potency_term": 0.277, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.8, "selectivity_term": 0.613, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.704, "cyp2c9-veith": 0.344, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.374, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "1", "pAct_q10": 5.250715444235885, "aff_pf": 0.16834476590156555, "aff_hs": 1.3940335512161255, "repeats_pf": {"runs": 3, "values": [0.1777, 0.179, 0.1484], "mean": 0.1683, "spread": 0.0306}, "repeats_hs": {"runs": 3, "values": [1.3681, 1.4084, 1.4056], "mean": 1.394, "spread": 0.0403}, "at": 1786843134}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832952, "scored_at": 1786843134, "alerts": [], "rank": 4673}, {"candidate_id": "ODC-2F7AA7", "res_at": 1786890533, "skeleton": "UEWDARKBALMPLY", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········c1C#N", "total": 23.331, "axes": {"activity": 8.89, "binding": 6.7, "selectivity": 1.64, "admet": 2.23, "novelty": 2.44, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.133, "fraction": 0.296}, "binding": {"pIC50": 6.0, "LE": 0.329, "potency_term": 0.335, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.335}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.696, "herg": 0.323, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.133276247016811, "aff_pf": -0.004503806432088216, "aff_hs": 0.48622893293698627, "repeats_pf": {"runs": 3, "values": [-0.1616, 0.1084, 0.0397], "mean": -0.0045, "spread": 0.27}, "repeats_hs": {"runs": 3, "values": [0.621, 0.4747, 0.363], "mean": 0.4862, "spread": 0.258}, "at": 1786890533}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881247, "scored_at": 1786890533, "alerts": [], "rank": 4674}, {"candidate_id": "ODC-9CF316", "res_at": 1786938845, "skeleton": "PSTTZAZTBCYXHA", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(-··········)c1=O", "total": 23.328, "axes": {"activity": 5.29, "binding": 9.27, "selectivity": 0.0, "admet": 3.41, "novelty": 3.17, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 4.917, "fraction": 0.176}, "binding": {"pIC50": 6.39, "LE": 0.35, "potency_term": 0.464, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.464}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.497, "caco2-wang": 0.974, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.911}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.917411082853882, "aff_pf": -0.39077944060166675, "aff_hs": -1.0986146132151287, "repeats_pf": {"runs": 3, "values": [-0.5878, -0.1743, -0.4102], "mean": -0.3908, "spread": 0.4135}, "repeats_hs": {"runs": 3, "values": [-1.1765, -1.067, -1.0523], "mean": -1.0986, "spread": 0.1242}, "at": 1786938845}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933395, "scored_at": 1786938845, "alerts": [], "rank": 4675}, {"candidate_id": "ODC-4D655A", "res_at": 1787438798, "skeleton": "RMNVQFIXGWCWRB", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCN··········CCCC1", "total": 23.321, "axes": {"activity": 13.24, "binding": 3.41, "selectivity": 0.13, "admet": 2.05, "novelty": 2.76, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.394, "fraction": 0.441}, "binding": {"pIC50": 5.67, "LE": 0.229, "potency_term": 0.224, "efficiency_cap": 0.762}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.224}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 0.357, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.902, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.372, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.394150517528465, "aff_pf": 0.3276473134756088, "aff_hs": 0.3868741790453593, "repeats_pf": {"runs": 3, "values": [0.6882, -0.1703, 0.4651], "mean": 0.3276, "spread": 0.8585}, "repeats_hs": {"runs": 3, "values": [0.2572, 0.4853, 0.4181], "mean": 0.3869, "spread": 0.228}, "at": 1787438798}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436424, "scored_at": 1787438798, "alerts": [], "rank": 4676}, {"candidate_id": "ODC-9C4AFC", "res_at": 1787252994, "skeleton": "XHJYSZUUQAVBLH", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cnc··········)nn12", "total": 23.319, "axes": {"activity": 10.36, "binding": 5.53, "selectivity": 1.14, "admet": 2.41, "novelty": 2.41, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.345}, "binding": {"pIC50": 5.83, "LE": 0.319, "potency_term": 0.276, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.206, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.547, "herg": 0.424, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.221893130018963, "aff_pf": 0.1711686203877131, "aff_hs": 0.5831946829954783, "repeats_pf": {"runs": 3, "values": [0.3035, -0.0653, 0.2753], "mean": 0.1712, "spread": 0.3688}, "repeats_hs": {"runs": 3, "values": [0.9194, 0.4572, 0.373], "mean": 0.5832, "spread": 0.5464}, "at": 1787252994}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246731, "scored_at": 1787252994, "alerts": [], "rank": 4677}, {"candidate_id": "ODC-22E3BC", "res_at": 1788473791, "skeleton": "FMTIZACNWKXQGD", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nn2c··········(F)c1", "total": 23.31, "axes": {"activity": 8.63, "binding": 7.44, "selectivity": 0.42, "admet": 2.56, "novelty": 2.52, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.118, "fraction": 0.288}, "binding": {"pIC50": 6.12, "LE": 0.322, "potency_term": 0.372, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.579, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.11763035499781, "aff_pf": -0.11662038167317708, "aff_hs": -0.0028845202177762985, "repeats_pf": {"runs": 3, "values": [-0.0987, -0.2073, -0.0439], "mean": -0.1166, "spread": 0.1633}, "repeats_hs": {"runs": 3, "values": [0.0163, 0.0289, -0.0539], "mean": -0.0029, "spread": 0.0828}, "at": 1788473791}, "tier": 1, "alerts": [], "total_sd": 0.68, "total_ci95": [22.116, 24.851], "relegate_reason": [], "submitted_at": 1788409733, "scored_at": 1788473791, "rank": 4678}, {"candidate_id": "ODC-66FC28", "res_at": 1789555595, "skeleton": "NSHHZSGMLVRBLA", "hf_user": "Bio-JS", "display_name": "0916-S1-div29", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 23.301, "axes": {"activity": 13.62, "binding": 1.58, "selectivity": 0.0, "admet": 3.59, "novelty": 2.67, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 4.97, "LE": 0.252, "potency_term": 0.094, "efficiency_cap": 0.841}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.5, "caco2-wang": 0.438, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.47, "ld50-zhu": 0.545, "herg": 0.197, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.417311220292934, "aff_pf": 1.02602286140124, "aff_hs": 0.8634316921234131, "repeats_pf": {"runs": 3, "values": [1.4281, 0.2486, 1.4013], "mean": 1.026, "spread": 1.1796}, "repeats_hs": {"runs": 3, "values": [0.8042, 0.9452, 0.8409], "mean": 0.8634, "spread": 0.141}, "at": 1789555595}, "tier": 1, "alerts": [], "total_sd": 1.315, "total_ci95": [22.254, 28.137], "relegate_reason": [], "submitted_at": 1789526937, "scored_at": 1789555595, "rank": 4679}, {"candidate_id": "ODC-F983BF", "res_at": 1790024009, "skeleton": "URAQNWSNXZEVIQ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 23.286, "axes": {"activity": 14.61, "binding": 0.77, "selectivity": 0.0, "admet": 3.35, "novelty": 2.56, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.477, "fraction": 0.487}, "binding": {"pIC50": 5.12, "LE": 0.319, "potency_term": 0.039, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.039}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.455, "ld50-zhu": 0.416, "herg": 0.457, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.475, "novelty": 0.525}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.476698416630684, "aff_pf": 0.8843830029169718, "aff_hs": 0.6601689259211222, "repeats_pf": {"runs": 3, "values": [0.9932, 0.8863, 0.7736], "mean": 0.8844, "spread": 0.2196}, "repeats_hs": {"runs": 3, "values": [0.7571, 0.6165, 0.6069], "mean": 0.6602, "spread": 0.1502}, "at": 1790024009}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [22.561, 24.025], "relegate_reason": [], "submitted_at": 1790009102, "scored_at": 1790024009, "rank": 4680}, {"candidate_id": "ODC-7D802D", "res_at": 1788457086, "skeleton": "IOWNITOQAKITTC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········)OCC2", "total": 23.281, "axes": {"activity": 14.48, "binding": 1.08, "selectivity": 0.0, "admet": 2.44, "novelty": 3.26, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.469, "fraction": 0.483}, "binding": {"pIC50": 4.95, "LE": 0.183, "potency_term": 0.088, "efficiency_cap": 0.611}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 0.929, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.826}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.4689170780945044, "aff_pf": 1.0502075950304668, "aff_hs": 0.9139856894810995, "repeats_pf": {"runs": 3, "values": [0.803, 1.5132, 0.8344], "mean": 1.0502, "spread": 0.7103}, "repeats_hs": {"runs": 3, "values": [0.7609, 1.0143, 0.9668], "mean": 0.914, "spread": 0.2534}, "at": 1788457086}, "tier": 1, "alerts": [], "total_sd": 0.225, "total_ci95": [22.51, 23.312], "relegate_reason": [], "submitted_at": 1788394179, "scored_at": 1788457086, "rank": 4681}, {"candidate_id": "ODC-FF5C5E", "res_at": 1787196241, "skeleton": "UIHNGEFTCAXBLE", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 23.28, "axes": {"activity": 14.04, "binding": 1.85, "selectivity": 0.71, "admet": 3.53, "novelty": 1.4, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.442, "fraction": 0.468}, "binding": {"pIC50": 5.31, "LE": 0.269, "potency_term": 0.103, "efficiency_cap": 0.898}, "selectivity": {"fold": 4.8, "selectivity_term": 0.343, "target_engagement": 0.103}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.614, "ld50-zhu": 0.652, "herg": 0.056, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.7, "novelty": 0.3}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 5.442182139557856, "aff_pf": 0.6906297405560812, "aff_hs": 1.3759081363677979, "repeats_pf": {"runs": 3, "values": [0.7392, 0.6485, 0.6842], "mean": 0.6906, "spread": 0.0907}, "repeats_hs": {"runs": 3, "values": [1.2797, 1.4209, 1.4271], "mean": 1.3759, "spread": 0.1473}, "at": 1787196241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192353, "scored_at": 1787196241, "alerts": [], "rank": 4682}, {"candidate_id": "ODC-2F1D31", "res_at": 1788976373, "skeleton": "IHKVZAMISJUINN", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········(F)c1", "total": 23.264, "axes": {"activity": 10.21, "binding": 5.39, "selectivity": 1.35, "admet": 2.28, "novelty": 2.33, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.212, "fraction": 0.34}, "binding": {"pIC50": 5.81, "LE": 0.346, "potency_term": 0.27, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.523, "herg": 0.193, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.21244043766414, "aff_pf": 0.19095211724440256, "aff_hs": 0.6912909746170044, "repeats_pf": {"runs": 3, "values": [0.2267, 0.1517, 0.1945], "mean": 0.191, "spread": 0.0749}, "repeats_hs": {"runs": 3, "values": [0.6701, 0.7341, 0.6697], "mean": 0.6913, "spread": 0.0644}, "at": 1788976373}, "tier": 1, "alerts": [], "total_sd": 0.214, "total_ci95": [22.82, 23.703], "relegate_reason": [], "submitted_at": 1788971739, "scored_at": 1788976373, "rank": 4683}, {"candidate_id": "ODC-BFAC61", "res_at": 1789550346, "skeleton": "LEXUPWFZJOZDBY", "hf_user": "Bio-JS", "display_name": "0916-S1-div14", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 23.259, "axes": {"activity": 10.27, "binding": 5.83, "selectivity": 0.87, "admet": 2.89, "novelty": 1.94, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.216, "fraction": 0.342}, "binding": {"pIC50": 5.87, "LE": 0.31, "potency_term": 0.291, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.291}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.567, "caco2-wang": 0.602, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.802, "cyp3a4-substrate-carbonmangels": 0.966, "ld50-zhu": 0.462, "herg": 0.183, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.21631969677274, "aff_pf": 0.12592628846565881, "aff_hs": 0.42353300253550213, "repeats_pf": {"runs": 3, "values": [0.0374, 0.0635, 0.2769], "mean": 0.1259, "spread": 0.2395}, "repeats_hs": {"runs": 3, "values": [0.4984, 0.3989, 0.3733], "mean": 0.4235, "spread": 0.1251}, "at": 1789550346}, "tier": 1, "alerts": [], "total_sd": 0.648, "total_ci95": [21.839, 24.257], "relegate_reason": [], "submitted_at": 1789526837, "scored_at": 1789550346, "rank": 4684}, {"candidate_id": "ODC-2AD37E", "res_at": 1788463269, "skeleton": "MDZZMKUJQUEUHZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········c2)C1", "total": 23.229, "axes": {"activity": 13.55, "binding": 1.52, "selectivity": 0.47, "admet": 2.72, "novelty": 3.26, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.413, "fraction": 0.452}, "binding": {"pIC50": 5.34, "LE": 0.203, "potency_term": 0.113, "efficiency_cap": 0.677}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.113}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.578, "caco2-wang": 0.252, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.895, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.412975464048334, "aff_pf": 0.6623406410217285, "aff_hs": 1.0839881896972656, "repeats_pf": {"runs": 3, "values": [0.72, 0.5876, 0.6794], "mean": 0.6623, "spread": 0.1324}, "repeats_hs": {"runs": 3, "values": [1.1141, 0.9336, 1.2043], "mean": 1.084, "spread": 0.2707}, "at": 1788463269}, "tier": 1, "alerts": [], "total_sd": 0.267, "total_ci95": [22.82, 23.883], "relegate_reason": [], "submitted_at": 1788394263, "scored_at": 1788463269, "rank": 4685}, {"candidate_id": "ODC-7E1824", "res_at": 1787437817, "skeleton": "CADHBZBGEKFDHQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 23.19, "axes": {"activity": 15.06, "binding": 0.8, "selectivity": 0.0, "admet": 2.64, "novelty": 2.73, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 5.504, "fraction": 0.502}, "binding": {"pIC50": 5.16, "LE": 0.221, "potency_term": 0.054, "efficiency_cap": 0.737}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.054}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.897, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.464, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.457, "novelty": 0.543}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.503656471505876, "aff_pf": 0.8373381694157919, "aff_hs": 0.1451388249794642, "repeats_pf": {"runs": 3, "values": [0.9063, 0.7846, 0.8212], "mean": 0.8373, "spread": 0.1217}, "repeats_hs": {"runs": 3, "values": [0.1831, 0.2363, 0.016], "mean": 0.1451, "spread": 0.2202}, "at": 1787437817}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436363, "scored_at": 1787437817, "alerts": [], "rank": 4686}, {"candidate_id": "ODC-352344", "res_at": 1787414846, "skeleton": "ZSUCHEZHIUEHPI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········ccc12", "total": 23.147, "axes": {"activity": 11.59, "binding": 4.58, "selectivity": 0.0, "admet": 2.42, "novelty": 2.65, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.386}, "binding": {"pIC50": 5.69, "LE": 0.325, "potency_term": 0.229, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.229}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.078, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.739, "cyp2c9-veith": 0.575, "cyp3a4-substrate-carbonmangels": 0.752, "ld50-zhu": 0.544, "herg": 0.079, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 5.295595764764098, "aff_pf": 0.3124849448601405, "aff_hs": -0.2549770772457123, "repeats_pf": {"runs": 3, "values": [0.3791, 0.4323, 0.126], "mean": 0.3125, "spread": 0.3064}, "repeats_hs": {"runs": 3, "values": [-0.2092, -0.2819, -0.2739], "mean": -0.255, "spread": 0.0727}, "at": 1787414846}, "tier": 1, "relegate_reason": [], "submitted_at": 1787409844, "scored_at": 1787414846, "alerts": [], "rank": 4687}, {"candidate_id": "ODC-57EAEC", "res_at": 1786978844, "skeleton": "ORBLXXBDPVTPCX", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········l)cc1", "total": 23.147, "axes": {"activity": 13.46, "binding": 0.22, "selectivity": 0.0, "admet": 4.4, "novelty": 2.97, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.449}, "binding": {"pIC50": 4.19, "LE": 0.25, "potency_term": 0.013, "efficiency_cap": 0.833}, "selectivity": {"fold": 1.4, "selectivity_term": 0.069, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.654, "per_endpoint": {"solubility-aqsoldb": 0.637, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.409, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.40743777561138, "aff_pf": 1.8056004047393799, "aff_hs": 1.942792574564616, "repeats_pf": {"runs": 3, "values": [1.8308, 1.7202, 1.8657], "mean": 1.8056, "spread": 0.1455}, "repeats_hs": {"runs": 3, "values": [1.9204, 1.9546, 1.9534], "mean": 1.9428, "spread": 0.0342}, "at": 1786978844}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977290, "scored_at": 1786978844, "alerts": [], "rank": 4688}, {"candidate_id": "ODC-13B441", "res_at": 1786963589, "skeleton": "GWQZDGLYPHQGST", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········C1CC1", "total": 23.136, "axes": {"activity": 10.31, "binding": 4.89, "selectivity": 1.56, "admet": 2.97, "novelty": 1.96, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 5.73, "LE": 0.302, "potency_term": 0.245, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.245}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.749, "herg": 0.421, "dili": 0.55}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.218575825274151, "aff_pf": 0.26613864302635193, "aff_hs": 0.9053994615872701, "repeats_pf": {"runs": 3, "values": [0.169, 0.3137, 0.3157], "mean": 0.2661, "spread": 0.1467}, "repeats_hs": {"runs": 3, "values": [0.9004, 0.8318, 0.984], "mean": 0.9054, "spread": 0.1522}, "at": 1786963589}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963398, "scored_at": 1786963589, "alerts": [], "rank": 4689}, {"candidate_id": "ODC-328DA6", "res_at": 1787892401, "skeleton": "YOYSICSQXKCAIE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-20", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 23.122, "axes": {"activity": 8.3, "binding": 7.73, "selectivity": 1.18, "admet": 2.08, "novelty": 2.2, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.098, "fraction": 0.277}, "binding": {"pIC50": 6.26, "LE": 0.277, "potency_term": 0.419, "efficiency_cap": 0.922}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.419}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.761, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.469, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.55, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.098246824475123, "aff_pf": -0.25784551600615185, "aff_hs": 0.023777345816294353, "repeats_pf": {"runs": 3, "values": [-0.3198, -0.2515, -0.2023], "mean": -0.2578, "spread": 0.1175}, "repeats_hs": {"runs": 3, "values": [0.0618, 0.0209, -0.0113], "mean": 0.0238, "spread": 0.0731}, "at": 1787892401}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841308, "scored_at": 1787892401, "alerts": [], "rank": 4690}, {"candidate_id": "ODC-686D81", "res_at": 1788619244, "skeleton": "QAZMWSYYKBYORL", "hf_user": "Lauhel", "display_name": "Mary", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········cc1Cl", "total": 23.068, "axes": {"activity": 12.12, "binding": 3.51, "selectivity": 0.0, "admet": 3.02, "novelty": 2.39, "synthesis": 2.02}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 5.53, "LE": 0.303, "potency_term": 0.175, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.936, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.179, "ld50-zhu": 0.445, "herg": 0.05, "dili": 0.232}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "0", "pAct_q10": 5.327406075695513, "aff_pf": 0.4735250969727834, "aff_hs": 0.4734637339909871, "repeats_pf": {"runs": 3, "values": [0.4695, 0.4132, 0.5379], "mean": 0.4735, "spread": 0.1247}, "repeats_hs": {"runs": 3, "values": [0.4957, 0.4687, 0.4561], "mean": 0.4735, "spread": 0.0396}, "at": 1788619244}, "tier": 1, "alerts": [], "total_sd": 0.203, "total_ci95": [22.632, 23.554], "relegate_reason": [], "submitted_at": 1788617261, "scored_at": 1788619244, "rank": 4691}, {"candidate_id": "ODC-023DB8", "res_at": 1789963430, "skeleton": "BSJOVMWDZJZXFV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 23.067, "axes": {"activity": 10.94, "binding": 5.55, "selectivity": 1.07, "admet": 1.56, "novelty": 2.13, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.257, "fraction": 0.365}, "binding": {"pIC50": 6.16, "LE": 0.216, "potency_term": 0.385, "efficiency_cap": 0.721}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 0.568, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.09, "cyp3a4-substrate-carbonmangels": 0.775, "ld50-zhu": 0.738, "herg": 0.05, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.2566820470232125, "aff_pf": -0.15564926465352377, "aff_hs": 0.12186496704816818, "repeats_pf": {"runs": 3, "values": [-0.2595, -0.0883, -0.1191], "mean": -0.1556, "spread": 0.1712}, "repeats_hs": {"runs": 3, "values": [0.1062, 0.0861, 0.1733], "mean": 0.1219, "spread": 0.0872}, "at": 1789963430}, "tier": 1, "alerts": [], "total_sd": 0.495, "total_ci95": [22.274, 24.2], "relegate_reason": [], "submitted_at": 1789907141, "scored_at": 1789963430, "rank": 4692}, {"candidate_id": "ODC-F92F54", "res_at": 1787167074, "skeleton": "JYBFMOLBHXOMKL", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCN(··········2)CC1", "total": 23.066, "axes": {"activity": 13.45, "binding": 1.64, "selectivity": 0.53, "admet": 2.5, "novelty": 2.89, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.407, "fraction": 0.448}, "binding": {"pIC50": 5.36, "LE": 0.204, "potency_term": 0.12, "efficiency_cap": 0.68}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.785, "ld50-zhu": 0.687, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.407227914819883, "aff_pf": 0.6385462085405985, "aff_hs": 1.0789610544840496, "repeats_pf": {"runs": 3, "values": [0.7043, 0.6179, 0.5935], "mean": 0.6385, "spread": 0.1108}, "repeats_hs": {"runs": 3, "values": [1.0956, 0.9949, 1.1464], "mean": 1.079, "spread": 0.1515}, "at": 1787167074}, "tier": 1, "relegate_reason": [], "submitted_at": 1787159574, "scored_at": 1787167074, "alerts": [], "rank": 4693}, {"candidate_id": "ODC-D60F76", "res_at": 1786781121, "skeleton": "XLVXFFSJULKTGW", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 23.041, "axes": {"activity": 7.87, "binding": 7.31, "selectivity": 0.76, "admet": 3.93, "novelty": 1.35, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.072, "fraction": 0.262}, "binding": {"pIC50": 6.1, "LE": 0.38, "potency_term": 0.365, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.105, "target_engagement": 0.365}, "admet": {"geometric_mean": 0.717, "per_endpoint": {"solubility-aqsoldb": 0.537, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.781, "ld50-zhu": 0.584, "herg": 0.382, "dili": 0.981}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 5.072250209465511, "aff_pf": -0.09593187520901363, "aff_hs": 0.11315428465604782, "repeats_pf": {"runs": 3, "values": [-0.1331, -0.0994, -0.0553], "mean": -0.0959, "spread": 0.0778}, "repeats_hs": {"runs": 2, "values": [0.0884, 0.138], "mean": 0.1132, "spread": 0.0496}, "at": 1786781121}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779630, "scored_at": 1786781121, "alerts": [], "rank": 4694}, {"candidate_id": "ODC-1F898C", "res_at": 1788796924, "skeleton": "IZOHHHKDWAWMAC", "hf_user": "Bio-JS", "display_name": "0907-S1-20", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 23.026, "axes": {"activity": 10.0, "binding": 4.46, "selectivity": 3.15, "admet": 1.63, "novelty": 2.18, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.2, "fraction": 0.333}, "binding": {"pIC50": 5.79, "LE": 0.256, "potency_term": 0.262, "efficiency_cap": 0.852}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.262}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.781, "ld50-zhu": 0.558, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.200040400828051, "aff_pf": 0.21442302068074545, "aff_hs": 1.4191715319951375, "repeats_pf": {"runs": 3, "values": [0.219, 0.2201, 0.2042], "mean": 0.2144, "spread": 0.0159}, "repeats_hs": {"runs": 3, "values": [1.2589, 1.4994, 1.4992], "mean": 1.4192, "spread": 0.2406}, "at": 1788796924}, "tier": 1, "alerts": [], "total_sd": 0.178, "total_ci95": [22.669, 23.307], "relegate_reason": [], "submitted_at": 1788707752, "scored_at": 1788796924, "rank": 4695}, {"candidate_id": "ODC-B35332", "res_at": 1786857446, "skeleton": "AFZPFVOMDWLCGL", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 23.023, "axes": {"activity": 1.83, "binding": 9.95, "selectivity": 2.79, "admet": 3.32, "novelty": 2.9, "synthesis": 2.24}, "detail": {"activity": {"pAct_q10": 4.402, "fraction": 0.061}, "binding": {"pIC50": 6.49, "LE": 0.387, "potency_term": 0.497, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.497}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.575, "cyp3a4-substrate-carbonmangels": 0.067, "ld50-zhu": 0.243, "herg": 0.775, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "2", "pAct_q10": 4.401765617149593, "aff_pf": -0.4923024872938792, "aff_hs": 0.06823070098956426, "repeats_pf": {"runs": 3, "values": [-0.4632, -0.4145, -0.5992], "mean": -0.4923, "spread": 0.1848}, "repeats_hs": {"runs": 3, "values": [0.0009, 0.0727, 0.1311], "mean": 0.0682, "spread": 0.1302}, "at": 1786857446}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848306, "scored_at": 1786857446, "alerts": [], "rank": 4696}, {"candidate_id": "ODC-C13C7F", "res_at": 1787278490, "skeleton": "IWXBNHMMMHRBPH", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 23.023, "axes": {"activity": 12.1, "binding": 4.39, "selectivity": 0.49, "admet": 2.71, "novelty": 2.04, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 5.66, "LE": 0.298, "potency_term": 0.221, "efficiency_cap": 0.995}, "selectivity": {"fold": 1.7, "selectivity_term": 0.11, "target_engagement": 0.221}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.572, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.478, "herg": 0.164, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 5.326069479511454, "aff_pf": 0.33767345547676086, "aff_hs": 0.5576733152071635, "repeats_pf": {"runs": 3, "values": [0.3039, 0.3439, 0.3652], "mean": 0.3377, "spread": 0.0613}, "repeats_hs": {"runs": 3, "values": [0.5854, 0.5311, 0.5565], "mean": 0.5577, "spread": 0.0543}, "at": 1787278490}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276099, "scored_at": 1787278490, "alerts": [], "rank": 4697}, {"candidate_id": "ODC-38BFF2", "res_at": 1786956227, "skeleton": "RQNVCGCTVYYPDR", "hf_user": "tteggu", "display_name": "DuckCrab", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········1COC1", "total": 22.995, "axes": {"activity": 13.51, "binding": 2.04, "selectivity": 1.14, "admet": 2.88, "novelty": 1.95, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.41, "fraction": 0.45}, "binding": {"pIC50": 5.39, "LE": 0.238, "potency_term": 0.129, "efficiency_cap": 0.793}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.129}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.656, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.761, "ld50-zhu": 0.693, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.567, "novelty": 0.433}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.410322059395245, "aff_pf": 0.6136024991671244, "aff_hs": 1.4964578946431477, "repeats_pf": {"runs": 3, "values": [0.6096, 0.6455, 0.5857], "mean": 0.6136, "spread": 0.0598}, "repeats_hs": {"runs": 3, "values": [1.5002, 1.5012, 1.488], "mean": 1.4965, "spread": 0.0132}, "at": 1786956227}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950999, "scored_at": 1786956227, "alerts": [], "rank": 4698}, {"candidate_id": "ODC-901E6C", "res_at": 1789236812, "skeleton": "VMKHTWWOPNBRLW", "hf_user": "Bio-JS", "display_name": "0913-S1-div15", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 22.988, "axes": {"activity": 8.93, "binding": 7.0, "selectivity": 0.38, "admet": 2.87, "novelty": 2.41, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.136, "fraction": 0.298}, "binding": {"pIC50": 6.05, "LE": 0.345, "potency_term": 0.35, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.35}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.471, "ld50-zhu": 0.402, "herg": 0.952, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.13588947806944, "aff_pf": -0.049837782979011536, "aff_hs": 0.05970825254917145, "repeats_pf": {"runs": 3, "values": [-0.1131, 0.0774, -0.1139], "mean": -0.0498, "spread": 0.1913}, "repeats_hs": {"runs": 3, "values": [0.0227, 0.2258, -0.0694], "mean": 0.0597, "spread": 0.2952}, "at": 1789236812}, "tier": 1, "alerts": [], "total_sd": 0.88, "total_ci95": [21.775, 24.445], "relegate_reason": [], "submitted_at": 1789226337, "scored_at": 1789236812, "rank": 4699}, {"candidate_id": "ODC-F5210C", "res_at": 1787217442, "skeleton": "BTDDNGHCPPSPKI", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(F··········)cc1F", "total": 22.975, "axes": {"activity": 10.15, "binding": 6.72, "selectivity": 0.54, "admet": 1.48, "novelty": 2.51, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.209, "fraction": 0.338}, "binding": {"pIC50": 6.06, "LE": 0.286, "potency_term": 0.353, "efficiency_cap": 0.954}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.503, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.2090017336305205, "aff_pf": -0.05750792225201925, "aff_hs": 0.09436379124720891, "repeats_pf": {"runs": 3, "values": [0.106, -0.0827, -0.1958], "mean": -0.0575, "spread": 0.3018}, "repeats_hs": {"runs": 3, "values": [0.1548, 0.1198, 0.0085], "mean": 0.0944, "spread": 0.1463}, "at": 1787217442}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217052, "scored_at": 1787217442, "alerts": [], "rank": 4700}, {"candidate_id": "ODC-D6A771", "res_at": 1786844272, "skeleton": "NGFJDPHKZRPYQK", "hf_user": "1Dmeds", "display_name": "ODC26-SF-02R", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.972, "axes": {"activity": 6.77, "binding": 6.78, "selectivity": 4.03, "admet": 2.73, "novelty": 1.02, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.006, "fraction": 0.226}, "binding": {"pIC50": 6.02, "LE": 0.33, "potency_term": 0.339, "efficiency_cap": 1.0}, "selectivity": {"fold": 15.4, "selectivity_term": 0.594, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.544, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.858, "cyp3a4-substrate-carbonmangels": 0.287, "ld50-zhu": 0.329, "herg": 0.368, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.698, "novelty": 0.302}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "1", "pAct_q10": 5.0061485632018385, "aff_pf": -0.017605369289716084, "aff_hs": 1.1701433261235554, "repeats_pf": {"runs": 3, "values": [0.0036, 0.0698, -0.1263], "mean": -0.0176, "spread": 0.1962}, "repeats_hs": {"runs": 3, "values": [1.127, 1.2119, 1.1716], "mean": 1.1701, "spread": 0.085}, "at": 1786844272}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832960, "scored_at": 1786844272, "alerts": [], "rank": 4701}, {"candidate_id": "ODC-BACCBB", "res_at": 1787375564, "skeleton": "QUGBCHOAAVIOLA", "hf_user": "1Dmeds", "display_name": "ODC26-G06", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 22.968, "axes": {"activity": 14.68, "binding": 0.55, "selectivity": 0.07, "admet": 2.02, "novelty": 3.36, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.481, "fraction": 0.489}, "binding": {"pIC50": 5.12, "LE": 0.212, "potency_term": 0.039, "efficiency_cap": 0.708}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.039}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.9, "herg": 0.05, "dili": 0.504}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 5.480734976669413, "aff_pf": 0.8828015923500061, "aff_hs": 1.0497888326644897, "repeats_pf": {"runs": 3, "values": [1.1389, 0.7826, 0.7269], "mean": 0.8828, "spread": 0.412}, "repeats_hs": {"runs": 3, "values": [1.1977, 0.904, 1.0477], "mean": 1.0498, "spread": 0.2937}, "at": 1787375564}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372676, "scored_at": 1787375564, "alerts": [], "rank": 4702}, {"candidate_id": "ODC-32A4E7", "res_at": 1789923856, "skeleton": "DHLMUGYECXQUOQ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)c2n1", "total": 22.967, "axes": {"activity": 8.44, "binding": 7.12, "selectivity": 1.9, "admet": 1.32, "novelty": 2.64, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 6.3, "LE": 0.247, "potency_term": 0.433, "efficiency_cap": 0.822}, "selectivity": {"fold": 2.7, "selectivity_term": 0.219, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.328, "hia-hou": 1.0, "bioavailability-ma": 0.92, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.106398198231205, "aff_pf": -0.2987651824951172, "aff_hs": 0.13970604538917542, "repeats_pf": {"runs": 3, "values": [-0.2946, -0.3947, -0.207], "mean": -0.2988, "spread": 0.1878}, "repeats_hs": {"runs": 3, "values": [-0.0724, 0.1359, 0.3556], "mean": 0.1397, "spread": 0.4281}, "at": 1789923856}, "tier": 1, "alerts": [], "total_sd": 0.862, "total_ci95": [21.302, 24.415], "relegate_reason": [], "submitted_at": 1789910880, "scored_at": 1789923856, "rank": 4703}, {"candidate_id": "ODC-ABB5A6", "res_at": 1787124613, "skeleton": "HUTXRPVRBDWXRP", "hf_user": "polarbearsong", "display_name": "ODC-R3-03-imidazopyrimidine-Me", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.962, "axes": {"activity": 2.31, "binding": 8.62, "selectivity": 4.56, "admet": 3.18, "novelty": 2.16, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 4.495, "fraction": 0.077}, "binding": {"pIC50": 6.29, "LE": 0.431, "potency_term": 0.431, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.5, "selectivity_term": 0.529, "target_engagement": 0.431}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.946, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.584, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.205, "herg": 0.997, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 4.49506389237642, "aff_pf": -0.29313167929649353, "aff_hs": 0.7656915585199991, "repeats_pf": {"runs": 3, "values": [-0.3203, -0.2786, -0.2804], "mean": -0.2931, "spread": 0.0417}, "repeats_hs": {"runs": 3, "values": [0.7944, 0.7257, 0.777], "mean": 0.7657, "spread": 0.0687}, "at": 1787124613}, "tier": 1, "relegate_reason": [], "submitted_at": 1787107857, "scored_at": 1787124613, "alerts": [], "rank": 4704}, {"candidate_id": "ODC-CA3659", "res_at": 1786930906, "skeleton": "LTFQYCXJGDEHNA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 22.959, "axes": {"activity": 13.85, "binding": 0.99, "selectivity": 0.28, "admet": 2.64, "novelty": 2.89, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 5.19, "LE": 0.23, "potency_term": 0.065, "efficiency_cap": 0.765}, "selectivity": {"fold": 2.7, "selectivity_term": 0.217, "target_engagement": 0.065}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.109, "cyp2c9-veith": 0.482, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.349, "herg": 0.09, "dili": 0.393}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "2", "pAct_q10": 5.43094702750192, "aff_pf": 0.8054546316464742, "aff_hs": 1.2384669780731201, "repeats_pf": {"runs": 3, "values": [0.836, 0.5524, 1.028], "mean": 0.8055, "spread": 0.4756}, "repeats_hs": {"runs": 3, "values": [1.0556, 1.2165, 1.4434], "mean": 1.2385, "spread": 0.3878}, "at": 1786930906}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924612, "scored_at": 1786930906, "alerts": [], "rank": 4705}, {"candidate_id": "ODC-F431DA", "res_at": 1786931414, "skeleton": "IUXMAFUWZAGLQS", "hf_user": "Binggu8", "display_name": "Binggu8", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)nn12", "total": 22.948, "axes": {"activity": 9.27, "binding": 6.99, "selectivity": 1.4, "admet": 1.98, "novelty": 1.8, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.156, "fraction": 0.309}, "binding": {"pIC50": 6.06, "LE": 0.297, "potency_term": 0.354, "efficiency_cap": 0.988}, "selectivity": {"fold": 2.5, "selectivity_term": 0.198, "target_engagement": 0.354}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.203, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 5.156149247838957, "aff_pf": -0.060648735612630844, "aff_hs": 0.3344111740589142, "repeats_pf": {"runs": 3, "values": [-0.0502, -0.0957, -0.036], "mean": -0.0606, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [0.2861, 0.3479, 0.3692], "mean": 0.3344, "spread": 0.0831}, "at": 1786931414}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924758, "scored_at": 1786931414, "alerts": [], "rank": 4706}, {"candidate_id": "ODC-19F71D", "res_at": 1786911501, "skeleton": "GRIVRSJJARSDGN", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1noc2··········C)c12", "total": 22.947, "axes": {"activity": 13.47, "binding": 1.19, "selectivity": 0.0, "admet": 3.32, "novelty": 2.8, "synthesis": 2.17}, "detail": {"activity": {"pAct_q10": 5.408, "fraction": 0.449}, "binding": {"pIC50": 5.18, "LE": 0.296, "potency_term": 0.061, "efficiency_cap": 0.986}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.329, "herg": 0.813, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.4079573026775565, "aff_pf": 0.8183646202087402, "aff_hs": 0.7819811304410299, "repeats_pf": {"runs": 3, "values": [0.7417, 0.8753, 0.838], "mean": 0.8184, "spread": 0.1336}, "repeats_hs": {"runs": 3, "values": [0.7712, 0.8151, 0.7596], "mean": 0.782, "spread": 0.0556}, "at": 1786911501}, "tier": 1, "relegate_reason": [], "submitted_at": 1786905609, "scored_at": 1786911501, "alerts": [], "rank": 4707}, {"candidate_id": "ODC-61A299", "res_at": 1786930655, "skeleton": "BMAFHJITRHAPCK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 22.932, "axes": {"activity": 14.24, "binding": 0.63, "selectivity": 0.0, "admet": 2.89, "novelty": 2.8, "synthesis": 2.37}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 4.72, "LE": 0.19, "potency_term": 0.049, "efficiency_cap": 0.634}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 0.855, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.955, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.547, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "2", "pAct_q10": 5.454329906013154, "aff_pf": 1.2826002438863118, "aff_hs": 0.9924751917521158, "repeats_pf": {"runs": 3, "values": [1.4757, 1.2081, 1.164], "mean": 1.2826, "spread": 0.3117}, "repeats_hs": {"runs": 3, "values": [0.9587, 1.0533, 0.9654], "mean": 0.9925, "spread": 0.0946}, "at": 1786930655}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924606, "scored_at": 1786930655, "alerts": [], "rank": 4708}, {"candidate_id": "ODC-8671E2", "res_at": 1787362649, "skeleton": "ZGSSQQLZZTZYRZ", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "CCCCCNC(C)(C#N)c1ccc(-c2c(C)nnc3cc(-c4ccc(-c5ccccc5)cc4)cnc23)cc1", "smiles_masked": null, "total": 22.918, "axes": {"activity": 14.69, "binding": 0.23, "selectivity": 0.0, "admet": 2.47, "novelty": 3.6, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.482, "fraction": 0.49}, "binding": {"pIC50": 4.39, "LE": 0.154, "potency_term": 0.022, "efficiency_cap": 0.515}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.69, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.59, "herg": 0.17, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.481532559303979, "aff_pf": 1.6050308148066204, "aff_hs": 0.8219766020774841, "repeats_pf": {"runs": 3, "values": [1.5583, 1.485, 1.7718], "mean": 1.605, "spread": 0.2867}, "repeats_hs": {"runs": 3, "values": [0.8, 0.7223, 0.9436], "mean": 0.822, "spread": 0.2213}, "at": 1787362649}, "tier": 1, "relegate_reason": [], "submitted_at": 1787362274, "scored_at": 1787362649, "alerts": [], "rank": 4709}, {"candidate_id": "ODC-15BD50", "res_at": 1786870413, "skeleton": "LPCUHEDPICOVSD", "hf_user": "1Dmeds", "display_name": "ODC26-R3-R2N-02", "model_name": "OpenAI GPT-5.6 Luna + Terra red-team", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.915, "axes": {"activity": 7.83, "binding": 8.9, "selectivity": 0.45, "admet": 2.69, "novelty": 1.41, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.07, "fraction": 0.261}, "binding": {"pIC50": 6.34, "LE": 0.299, "potency_term": 0.446, "efficiency_cap": 0.998}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.446}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.459, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.605, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.683, "novelty": 0.317}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "2", "pAct_q10": 5.069977099879013, "aff_pf": -0.33814741174379986, "aff_hs": -0.23703969021638235, "repeats_pf": {"runs": 3, "values": [-0.2883, -0.3651, -0.3611], "mean": -0.3381, "spread": 0.0768}, "repeats_hs": {"runs": 3, "values": [-0.199, -0.1929, -0.3193], "mean": -0.237, "spread": 0.1264}, "at": 1786870413}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863668, "scored_at": 1786870413, "alerts": [], "rank": 4710}, {"candidate_id": "ODC-3DEA11", "res_at": 1789111438, "skeleton": "YHKZNUVTTXRFSC", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 22.907, "axes": {"activity": 11.58, "binding": 3.21, "selectivity": 1.94, "admet": 2.91, "novelty": 1.99, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 5.55, "LE": 0.262, "potency_term": 0.184, "efficiency_cap": 0.874}, "selectivity": {"fold": 11.4, "selectivity_term": 0.529, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.538, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "0", "pAct_q10": 5.294997071236422, "aff_pf": 0.4488028287887573, "aff_hs": 1.5073267618815105, "repeats_pf": {"runs": 3, "values": [0.5164, 0.4334, 0.3966], "mean": 0.4488, "spread": 0.1197}, "repeats_hs": {"runs": 3, "values": [1.4465, 1.5022, 1.5733], "mean": 1.5073, "spread": 0.1269}, "at": 1789111438}, "tier": 1, "alerts": [], "total_sd": 0.362, "total_ci95": [22.101, 23.467], "relegate_reason": [], "submitted_at": 1789096011, "scored_at": 1789111438, "rank": 4711}, {"candidate_id": "ODC-68EC21", "res_at": 1787366606, "skeleton": "RFVOYIKBSNXPFN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 22.882, "axes": {"activity": 12.11, "binding": 3.17, "selectivity": 0.0, "admet": 3.21, "novelty": 2.94, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 5.53, "LE": 0.27, "potency_term": 0.176, "efficiency_cap": 0.901}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.591, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.326780601225498, "aff_pf": 0.4728529453277588, "aff_hs": 0.307880977789561, "repeats_pf": {"runs": 3, "values": [0.3504, 0.4316, 0.6365], "mean": 0.4729, "spread": 0.2861}, "repeats_hs": {"runs": 3, "values": [0.3168, 0.3328, 0.274], "mean": 0.3079, "spread": 0.0588}, "at": 1787366606}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364651, "scored_at": 1787366606, "alerts": [], "rank": 4712}, {"candidate_id": "ODC-0840C6", "res_at": 1788978107, "skeleton": "XVAMCGWMXVBFTK", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········Cl)c1", "total": 22.88, "axes": {"activity": 6.03, "binding": 7.76, "selectivity": 1.42, "admet": 3.04, "novelty": 2.68, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 4.962, "fraction": 0.201}, "binding": {"pIC50": 6.16, "LE": 0.367, "potency_term": 0.388, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.388}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.203, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.491, "herg": 0.377, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 4.9620858219875865, "aff_pf": -0.16389300922552744, "aff_hs": 0.20317927996317545, "repeats_pf": {"runs": 3, "values": [-0.1682, -0.1512, -0.1723], "mean": -0.1639, "spread": 0.0211}, "repeats_hs": {"runs": 3, "values": [0.2329, 0.2479, 0.1288], "mean": 0.2032, "spread": 0.1192}, "at": 1788978107}, "tier": 1, "alerts": [], "total_sd": 0.155, "total_ci95": [22.591, 23.164], "relegate_reason": [], "submitted_at": 1788971829, "scored_at": 1788978107, "rank": 4713}, {"candidate_id": "ODC-5CDEAF", "res_at": 1786792574, "skeleton": "ADTUTFWCTVNFNF", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "omo-Claude-plus-local-gate-screen", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.876, "axes": {"activity": 9.3, "binding": 6.18, "selectivity": 2.6, "admet": 2.42, "novelty": 0.91, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.158, "fraction": 0.31}, "binding": {"pIC50": 5.93, "LE": 0.353, "potency_term": 0.309, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.9, "selectivity_term": 0.421, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.738, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.524, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.157877777750597, "aff_pf": 0.07352257892489433, "aff_hs": 0.9146791299184164, "repeats_pf": {"runs": 3, "values": [0.1557, 0.0195, 0.0454], "mean": 0.0735, "spread": 0.1362}, "repeats_hs": {"runs": 3, "values": [0.9869, 0.7437, 1.0134], "mean": 0.9147, "spread": 0.2698}, "at": 1786792574}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782968, "scored_at": 1786792574, "alerts": [], "rank": 4714}, {"candidate_id": "ODC-816C98", "res_at": 1786846077, "skeleton": "KEIZDNHEPSSUGD", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········CO)s1", "total": 22.871, "axes": {"activity": 2.65, "binding": 9.94, "selectivity": 2.54, "admet": 4.12, "novelty": 1.66, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 4.759, "fraction": 0.088}, "binding": {"pIC50": 6.49, "LE": 0.356, "potency_term": 0.497, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.256, "target_engagement": 0.497}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.739, "caco2-wang": 0.377, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.938, "ld50-zhu": 0.329, "herg": 0.537, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 4.758944903704132, "aff_pf": -0.4908650716145833, "aff_hs": 0.020563017576932907, "repeats_pf": {"runs": 3, "values": [-0.5441, -0.3859, -0.5426], "mean": -0.4909, "spread": 0.1582}, "repeats_hs": {"runs": 3, "values": [0.052, 0.0556, -0.0459], "mean": 0.0206, "spread": 0.1015}, "at": 1786846077}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845781, "scored_at": 1786846077, "alerts": [], "rank": 4715}, {"candidate_id": "ODC-DB2121", "res_at": 1786787802, "skeleton": "BQTNDXFSRDOSRR", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "400-450", "visibility": "public", "smiles": "CC[C@@](O)(c1ccc(C(F)(F)F)c(Cl)c1)c1nn(C)c2cc(=O)n(C3CC3)cc12", "smiles_masked": null, "total": 22.863, "axes": {"activity": 12.27, "binding": 4.9, "selectivity": 0.0, "admet": 2.17, "novelty": 2.13, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.336, "fraction": 0.409}, "binding": {"pIC50": 5.8, "LE": 0.274, "potency_term": 0.268, "efficiency_cap": 0.914}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.573, "herg": 0.05, "dili": 0.298}}, "novelty": {"max_tanimoto": 0.48, "novelty": 0.52}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.336011285011084, "aff_pf": 0.19616423547267914, "aff_hs": -0.2888119916121165, "repeats_pf": {"runs": 3, "values": [0.17, 0.1962, 0.2223], "mean": 0.1962, "spread": 0.0524}, "repeats_hs": {"runs": 3, "values": [-0.2393, -0.2724, -0.3548], "mean": -0.2888, "spread": 0.1155}, "at": 1786787802}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781129, "scored_at": 1786787802, "alerts": [], "rank": 4716}, {"candidate_id": "ODC-4781BE", "res_at": 1786900309, "skeleton": "GIFRHKKPAFMSQT", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········1COC1", "total": 22.845, "axes": {"activity": 10.58, "binding": 6.21, "selectivity": 0.0, "admet": 2.42, "novelty": 2.25, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.235, "fraction": 0.353}, "binding": {"pIC50": 5.96, "LE": 0.292, "potency_term": 0.319, "efficiency_cap": 0.972}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.319}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.683, "ld50-zhu": 0.711, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "2", "pAct_q10": 5.234696150421179, "aff_pf": 0.042012897630532585, "aff_hs": 0.03683031350374222, "repeats_pf": {"runs": 3, "values": [0.0605, 0.1368, -0.0713], "mean": 0.042, "spread": 0.2081}, "repeats_hs": {"runs": 3, "values": [0.0942, 0.3185, -0.3022], "mean": 0.0368, "spread": 0.6206}, "at": 1786900309}, "tier": 1, "relegate_reason": [], "submitted_at": 1786899099, "scored_at": 1786900309, "alerts": [], "rank": 4717}, {"candidate_id": "ODC-5D4676", "res_at": 1786755715, "skeleton": "KZBYNVIPYYPBMQ", "hf_user": "mayafree", "display_name": "drughunter", "model_name": "kimi k3", "mw_band": "350-400", "visibility": "public", "smiles": "COc1cc(Nc2ccc(F)c(C#N)c2)n2nc(C(F)(F)F)nc2n1", "smiles_masked": null, "total": 22.84, "axes": {"activity": 11.45, "binding": 4.48, "selectivity": 0.43, "admet": 2.8, "novelty": 1.97, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.287, "fraction": 0.382}, "binding": {"pIC50": 5.67, "LE": 0.311, "potency_term": 0.224, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.224}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.689, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.321, "herg": 0.82, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.484, "novelty": 0.516}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.287190903850963, "aff_pf": 0.3285015821456909, "aff_hs": 0.5221001505851746, "at": 1786755715}, "tier": 1, "relegate_reason": [], "submitted_at": 1786755502, "scored_at": 1786755715, "alerts": [], "rank": 4718}, {"candidate_id": "ODC-201D3F", "res_at": 1787057667, "skeleton": "CGJGSBJZGCOZRT", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········c2cn1", "total": 22.832, "axes": {"activity": 2.42, "binding": 9.61, "selectivity": 2.4, "admet": 2.8, "novelty": 3.52, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 4.745, "fraction": 0.081}, "binding": {"pIC50": 6.44, "LE": 0.315, "potency_term": 0.48, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.48}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.265, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 4.745235666027436, "aff_pf": -0.44147244095802307, "aff_hs": 0.05901252975066503, "repeats_pf": {"runs": 3, "values": [-0.4757, -0.4678, -0.3809], "mean": -0.4415, "spread": 0.0947}, "repeats_hs": {"runs": 3, "values": [0.0642, 0.067, 0.0458], "mean": 0.059, "spread": 0.0212}, "at": 1787057667}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057421, "scored_at": 1787057667, "alerts": [], "rank": 4719}, {"candidate_id": "ODC-30435F", "res_at": 1789121332, "skeleton": "FMTNWUFJDTWBFY", "hf_user": "Bio-JS", "display_name": "0911-S1-cross_N", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 22.82, "axes": {"activity": 9.39, "binding": 6.47, "selectivity": 0.5, "admet": 2.98, "novelty": 2.05, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.163, "fraction": 0.313}, "binding": {"pIC50": 5.97, "LE": 0.341, "potency_term": 0.324, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.614, "per_endpoint": {"solubility-aqsoldb": 0.473, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.769, "cyp3a4-substrate-carbonmangels": 0.553, "ld50-zhu": 0.784, "herg": 0.549, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.163129908066764, "aff_pf": 0.02918920914332072, "aff_hs": 0.1848345249891281, "repeats_pf": {"runs": 3, "values": [0.0602, -0.039, 0.0663], "mean": 0.0292, "spread": 0.1053}, "repeats_hs": {"runs": 3, "values": [0.1881, 0.2329, 0.1334], "mean": 0.1848, "spread": 0.0995}, "at": 1789121332}, "tier": 1, "alerts": [], "total_sd": 0.456, "total_ci95": [22.161, 23.535], "relegate_reason": [], "submitted_at": 1789117066, "scored_at": 1789121332, "rank": 4720}, {"candidate_id": "ODC-13CA5D", "res_at": 1789626705, "skeleton": "FUSFQJHAELUFFX", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 22.819, "axes": {"activity": 11.0, "binding": 5.09, "selectivity": 1.0, "admet": 2.27, "novelty": 2.51, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 5.26, "fraction": 0.367}, "binding": {"pIC50": 5.93, "LE": 0.246, "potency_term": 0.31, "efficiency_cap": 0.821}, "selectivity": {"fold": 2.1, "selectivity_term": 0.162, "target_engagement": 0.31}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.122, "hia-hou": 0.906, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.493, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.82, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.19}}, "run": {"gpu": "0", "pAct_q10": 5.259838128162991, "aff_pf": 0.06956072648366292, "aff_hs": 0.39324424664179486, "repeats_pf": {"runs": 3, "values": [-0.0596, 0.0435, 0.2248], "mean": 0.0696, "spread": 0.2844}, "repeats_hs": {"runs": 3, "values": [0.3993, 0.3974, 0.383], "mean": 0.3932, "spread": 0.0163}, "at": 1789626705}, "tier": 1, "alerts": [], "total_sd": 0.723, "total_ci95": [21.302, 24.264], "relegate_reason": [], "submitted_at": 1789624255, "scored_at": 1789626705, "rank": 4721}, {"candidate_id": "ODC-B03B8F", "res_at": 1786989739, "skeleton": "AJWLAWJBUQTMQQ", "hf_user": "polarbearsong", "display_name": "ODC-R2-08-azabenzimidazole-thiophene", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········)F)s1", "total": 22.801, "axes": {"activity": 4.7, "binding": 8.29, "selectivity": 1.9, "admet": 3.84, "novelty": 2.23, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 4.882, "fraction": 0.157}, "binding": {"pIC50": 6.24, "LE": 0.372, "potency_term": 0.415, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.617, "per_endpoint": {"solubility-aqsoldb": 0.498, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.489, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.43, "herg": 0.943, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 4.882292976603956, "aff_pf": -0.24374325076738992, "aff_hs": 0.21554396549860635, "repeats_pf": {"runs": 3, "values": [-0.2161, -0.3145, -0.2007], "mean": -0.2437, "spread": 0.1138}, "repeats_hs": {"runs": 3, "values": [0.4803, -0.2595, 0.4258], "mean": 0.2155, "spread": 0.7398}, "at": 1786989739}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984723, "scored_at": 1786989739, "alerts": [], "rank": 4722}, {"candidate_id": "ODC-B482FE", "res_at": 1786901304, "skeleton": "GAJPQTKKZVTVEO", "hf_user": "scala39", "display_name": "scala", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCc1cc(··········nc2n1", "total": 22.793, "axes": {"activity": 8.18, "binding": 8.1, "selectivity": 0.28, "admet": 2.37, "novelty": 2.03, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.091, "fraction": 0.273}, "binding": {"pIC50": 6.22, "LE": 0.328, "potency_term": 0.405, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.035, "target_engagement": 0.405}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.771, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.090567763893159, "aff_pf": -0.21541481713453928, "aff_hs": -0.14613845944404602, "repeats_pf": {"runs": 3, "values": [-0.1956, -0.1271, -0.3236], "mean": -0.2154, "spread": 0.1965}, "repeats_hs": {"runs": 3, "values": [-0.2093, -0.1726, -0.0565], "mean": -0.1461, "spread": 0.1528}, "at": 1786901304}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887675, "scored_at": 1786901304, "alerts": [], "rank": 4723}, {"candidate_id": "ODC-01E515", "res_at": 1787019457, "skeleton": "XPFPBKNLVKSVJN", "hf_user": "araai", "display_name": "araai", "model_name": "Ara-알파", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 22.771, "axes": {"activity": 14.27, "binding": 1.33, "selectivity": 0.0, "admet": 2.24, "novelty": 3.02, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.456, "fraction": 0.476}, "binding": {"pIC50": 4.98, "LE": 0.207, "potency_term": 0.096, "efficiency_cap": 0.69}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 0.507, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.773, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.887, "herg": 0.084, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 5.456195508179307, "aff_pf": 1.0157196919123332, "aff_hs": 0.30491658051808673, "repeats_pf": {"runs": 3, "values": [1.4249, 0.7574, 0.8648], "mean": 1.0157, "spread": 0.6675}, "repeats_hs": {"runs": 3, "values": [0.2466, 0.2491, 0.419], "mean": 0.3049, "spread": 0.1725}, "at": 1787019457}, "tier": 1, "relegate_reason": [], "submitted_at": 1787019252, "scored_at": 1787019457, "alerts": [], "rank": 4724}, {"candidate_id": "ODC-340508", "res_at": 1787279998, "skeleton": "PQHMRHRNCVWGBD", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 22.77, "axes": {"activity": 13.99, "binding": 2.16, "selectivity": 0.0, "admet": 3.26, "novelty": 1.74, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.439, "fraction": 0.466}, "binding": {"pIC50": 5.34, "LE": 0.282, "potency_term": 0.115, "efficiency_cap": 0.939}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.909, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.553, "herg": 0.05, "dili": 0.52}}, "novelty": {"max_tanimoto": 0.627, "novelty": 0.373}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.439366271500473, "aff_pf": 0.6556253830591837, "aff_hs": 0.2280802528063456, "repeats_pf": {"runs": 3, "values": [0.5782, 0.7381, 0.6507], "mean": 0.6556, "spread": 0.1599}, "repeats_hs": {"runs": 3, "values": [0.1773, 0.2547, 0.2523], "mean": 0.2281, "spread": 0.0774}, "at": 1787279998}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276167, "scored_at": 1787279998, "alerts": [], "rank": 4725}, {"candidate_id": "ODC-493F14", "res_at": 1786861744, "skeleton": "NKERREMYRVLUBW", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 22.764, "axes": {"activity": 0.96, "binding": 10.9, "selectivity": 1.56, "admet": 3.55, "novelty": 3.63, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 4.658, "fraction": 0.032}, "binding": {"pIC50": 6.64, "LE": 0.35, "potency_term": 0.545, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.143, "target_engagement": 0.545}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.574, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 4.657603406882257, "aff_pf": -0.6352097193400065, "aff_hs": -0.34897851943969727, "repeats_pf": {"runs": 3, "values": [-0.6716, -0.6251, -0.6089], "mean": -0.6352, "spread": 0.0627}, "repeats_hs": {"runs": 3, "values": [-0.3155, -0.3499, -0.3816], "mean": -0.349, "spread": 0.0662}, "at": 1786861744}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855277, "scored_at": 1786861744, "alerts": [], "rank": 4726}, {"candidate_id": "ODC-097862", "res_at": 1786773584, "skeleton": "RYDFGDUFCCXPJP", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC2-P5-IodoFluoro-PosB", "model_name": "OpenCrab-ALEXAI candidate panel v0.2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.76, "axes": {"activity": 10.98, "binding": 5.59, "selectivity": 0.56, "admet": 2.5, "novelty": 1.5, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.259, "fraction": 0.366}, "binding": {"pIC50": 5.84, "LE": 0.348, "potency_term": 0.28, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.28}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.281, "ld50-zhu": 0.307, "herg": 0.572, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.258966542044581, "aff_pf": 0.1614101380109787, "aff_hs": 0.36058109998703003, "at": 1786773584}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772846, "scored_at": 1786773584, "alerts": [], "rank": 4727}, {"candidate_id": "ODC-F28C30", "res_at": 1787276952, "skeleton": "CQRVAUIDCOLQBS", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 22.747, "axes": {"activity": 12.44, "binding": 2.83, "selectivity": 0.0, "admet": 3.6, "novelty": 2.46, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.415}, "binding": {"pIC50": 5.44, "LE": 0.287, "potency_term": 0.148, "efficiency_cap": 0.956}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.148}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.473, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.822, "cyp3a4-substrate-carbonmangels": 0.44, "ld50-zhu": 0.573, "herg": 0.466, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.346372883863146, "aff_pf": 0.5562079151471456, "aff_hs": 0.4236789643764496, "repeats_pf": {"runs": 3, "values": [0.597, 0.5624, 0.5092], "mean": 0.5562, "spread": 0.0879}, "repeats_hs": {"runs": 3, "values": [0.4059, 0.4698, 0.3954], "mean": 0.4237, "spread": 0.0744}, "at": 1787276952}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276037, "scored_at": 1787276952, "alerts": [], "rank": 4728}, {"candidate_id": "ODC-2B99A7", "res_at": 1786841713, "skeleton": "UABUODYITSJIIJ", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.74, "axes": {"activity": 13.94, "binding": 2.32, "selectivity": 0.84, "admet": 2.04, "novelty": 1.28, "synthesis": 2.32}, "detail": {"activity": {"pAct_q10": 5.437, "fraction": 0.465}, "binding": {"pIC50": 5.39, "LE": 0.264, "potency_term": 0.132, "efficiency_cap": 0.88}, "selectivity": {"fold": 4.3, "selectivity_term": 0.319, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.532, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.301, "cyp2c9-veith": 0.363, "cyp3a4-substrate-carbonmangels": 0.342, "ld50-zhu": 0.389, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.725, "novelty": 0.275}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.436574572215446, "aff_pf": 0.605157732963562, "aff_hs": 1.2430932919184368, "repeats_pf": {"runs": 3, "values": [0.6884, 0.5191, 0.6079], "mean": 0.6052, "spread": 0.1693}, "repeats_hs": {"runs": 3, "values": [1.2998, 1.2012, 1.2283], "mean": 1.2431, "spread": 0.0986}, "at": 1786841713}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806788, "scored_at": 1786841713, "alerts": [], "rank": 4729}, {"candidate_id": "ODC-29DC51", "res_at": 1786953742, "skeleton": "GUHMVWQMVOSGBO", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-18", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 22.727, "axes": {"activity": 8.35, "binding": 6.64, "selectivity": 1.69, "admet": 2.63, "novelty": 1.92, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 6.0, "LE": 0.342, "potency_term": 0.332, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.254, "target_engagement": 0.332}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.497, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.592, "herg": 0.346, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.100955639293729, "aff_pf": 0.0042549992601076765, "aff_hs": 0.5129126707712809, "repeats_pf": {"runs": 3, "values": [-0.0951, 0.0816, 0.0263], "mean": 0.0043, "spread": 0.1767}, "repeats_hs": {"runs": 3, "values": [0.4382, 0.5967, 0.5039], "mean": 0.5129, "spread": 0.1585}, "at": 1786953742}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949090, "scored_at": 1786953742, "alerts": [], "rank": 4730}, {"candidate_id": "ODC-3F8FB2", "res_at": 1787619154, "skeleton": "ICSWMINAGQBNBH", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 22.722, "axes": {"activity": 9.45, "binding": 6.58, "selectivity": 1.15, "admet": 1.63, "novelty": 2.28, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.167, "fraction": 0.315}, "binding": {"pIC50": 6.04, "LE": 0.285, "potency_term": 0.346, "efficiency_cap": 0.951}, "selectivity": {"fold": 2.1, "selectivity_term": 0.166, "target_engagement": 0.346}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.346, "ld50-zhu": 0.5, "herg": 0.162, "dili": 0.318}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 5.1668600593283935, "aff_pf": -0.03740223745505015, "aff_hs": 0.29486308495203656, "repeats_pf": {"runs": 3, "values": [-0.0093, 0.0578, -0.1607], "mean": -0.0374, "spread": 0.2186}, "repeats_hs": {"runs": 3, "values": [0.2771, 0.3199, 0.2876], "mean": 0.2949, "spread": 0.0428}, "at": 1787619154}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618245, "scored_at": 1787619154, "alerts": [], "rank": 4731}, {"candidate_id": "ODC-1D10AA", "res_at": 1787052558, "skeleton": "AULTWIUXGMCWBN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc2n1", "total": 22.707, "axes": {"activity": 10.13, "binding": 5.41, "selectivity": 1.98, "admet": 1.59, "novelty": 2.24, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 6.03, "LE": 0.236, "potency_term": 0.344, "efficiency_cap": 0.787}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.344}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.262, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.309, "ld50-zhu": 0.162, "herg": 0.05, "dili": 0.391}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.207667614529591, "aff_pf": -0.03162880055606365, "aff_hs": 0.5451456705729166, "repeats_pf": {"runs": 3, "values": [-0.1254, 0.0211, 0.0094], "mean": -0.0316, "spread": 0.1465}, "repeats_hs": {"runs": 3, "values": [0.5102, 0.6911, 0.4342], "mean": 0.5451, "spread": 0.2569}, "at": 1787052558}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052091, "scored_at": 1787052558, "alerts": [], "rank": 4732}, {"candidate_id": "ODC-44893B", "res_at": 1788093788, "skeleton": "NAUVZMGWFKIUNH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nnc··········3)n12", "total": 22.693, "axes": {"activity": 7.98, "binding": 5.86, "selectivity": 3.37, "admet": 2.06, "novelty": 2.1, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.079, "fraction": 0.266}, "binding": {"pIC50": 5.88, "LE": 0.336, "potency_term": 0.293, "efficiency_cap": 1.0}, "selectivity": {"fold": 14.1, "selectivity_term": 0.574, "target_engagement": 0.293}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.46, "ld50-zhu": 0.423, "herg": 0.388, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.078869948913359, "aff_pf": 0.12060795972744624, "aff_hs": 1.2688443263371785, "repeats_pf": {"runs": 3, "values": [0.1172, 0.1256, 0.1191], "mean": 0.1206, "spread": 0.0084}, "repeats_hs": {"runs": 3, "values": [1.2257, 1.316, 1.2648], "mean": 1.2688, "spread": 0.0903}, "at": 1788093788}, "tier": 1, "alerts": [], "total_sd": 0.07, "total_ci95": [22.556, 22.823], "relegate_reason": [], "submitted_at": 1788081330, "scored_at": 1788093788, "rank": 4733}, {"candidate_id": "ODC-1815D2", "res_at": 1789937226, "skeleton": "AMMGWRXSGYWOFP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 22.69, "axes": {"activity": 14.14, "binding": 1.29, "selectivity": 0.0, "admet": 2.36, "novelty": 2.54, "synthesis": 2.36}, "detail": {"activity": {"pAct_q10": 5.448, "fraction": 0.471}, "binding": {"pIC50": 5.26, "LE": 0.225, "potency_term": 0.086, "efficiency_cap": 0.75}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.086}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.495, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.159}}, "novelty": {"max_tanimoto": 0.461, "novelty": 0.539}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "0", "pAct_q10": 5.44846550137172, "aff_pf": 0.7428126931190491, "aff_hs": 0.48292648792266846, "repeats_pf": {"runs": 3, "values": [0.7752, 0.68, 0.7732], "mean": 0.7428, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [0.336, 0.6705, 0.4423], "mean": 0.4829, "spread": 0.3345}, "at": 1789937226}, "tier": 1, "alerts": [], "total_sd": 0.139, "total_ci95": [22.522, 23.024], "relegate_reason": [], "submitted_at": 1789778803, "scored_at": 1789937226, "rank": 4734}, {"candidate_id": "ODC-D8FCB3", "res_at": 1788981266, "skeleton": "FZSFFUDRHWRQIH", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········[nH]1", "total": 22.677, "axes": {"activity": 6.25, "binding": 7.45, "selectivity": 2.47, "admet": 2.42, "novelty": 2.24, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 4.975, "fraction": 0.208}, "binding": {"pIC50": 6.12, "LE": 0.381, "potency_term": 0.373, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.373}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.343, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.398, "novelty": 0.602}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 4.974912172892095, "aff_pf": -0.11758069694042206, "aff_hs": 0.5443376302719116, "repeats_pf": {"runs": 3, "values": [-0.0555, -0.1777, -0.1196], "mean": -0.1176, "spread": 0.1222}, "repeats_hs": {"runs": 3, "values": [0.5229, 0.522, 0.5881], "mean": 0.5443, "spread": 0.0662}, "at": 1788981266}, "tier": 1, "alerts": [], "total_sd": 0.547, "total_ci95": [21.546, 23.711], "relegate_reason": [], "submitted_at": 1788972160, "scored_at": 1788981266, "rank": 4735}, {"candidate_id": "ODC-095BEA", "res_at": 1789364071, "skeleton": "CCUAZIOZIDCPTK", "hf_user": "Bio-JS", "display_name": "0914-S1-div24", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 22.672, "axes": {"activity": 12.95, "binding": 1.86, "selectivity": 0.53, "admet": 3.12, "novelty": 2.39, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.377, "fraction": 0.432}, "binding": {"pIC50": 5.3, "LE": 0.279, "potency_term": 0.1, "efficiency_cap": 0.931}, "selectivity": {"fold": 3.4, "selectivity_term": 0.264, "target_engagement": 0.1}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 0.637, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.77, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.562, "herg": 0.075, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 5.37687115740706, "aff_pf": 0.7008176644643148, "aff_hs": 1.2278461853663127, "repeats_pf": {"runs": 3, "values": [0.5346, 1.0078, 0.5601], "mean": 0.7008, "spread": 0.4732}, "repeats_hs": {"runs": 3, "values": [1.215, 1.084, 1.3846], "mean": 1.2278, "spread": 0.3007}, "at": 1789364071}, "tier": 1, "alerts": [], "total_sd": 1.003, "total_ci95": [21.295, 24.405], "relegate_reason": [], "submitted_at": 1789346173, "scored_at": 1789364071, "rank": 4736}, {"candidate_id": "ODC-8A0828", "res_at": 1788791422, "skeleton": "UBCNDMKJCJPHEM", "hf_user": "Bio-JS", "display_name": "0907-S1-11", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)cc1", "total": 22.662, "axes": {"activity": 12.13, "binding": 3.32, "selectivity": 1.36, "admet": 1.88, "novelty": 1.99, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.404}, "binding": {"pIC50": 5.6, "LE": 0.248, "potency_term": 0.201, "efficiency_cap": 0.826}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.848, "ld50-zhu": 0.621, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.327528919129266, "aff_pf": 0.3961567282676697, "aff_hs": 1.0732349753379822, "repeats_pf": {"runs": 3, "values": [0.3601, 0.3765, 0.4519], "mean": 0.3962, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [1.2145, 0.9703, 1.0348], "mean": 1.0732, "spread": 0.2442}, "at": 1788791422}, "tier": 1, "alerts": [], "total_sd": 0.279, "total_ci95": [22.207, 23.169], "relegate_reason": [], "submitted_at": 1788707702, "scored_at": 1788791422, "rank": 4737}, {"candidate_id": "ODC-FE87E5", "res_at": 1787241213, "skeleton": "IVVJXCAVJNVREK", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-D01", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)(F)F", "total": 22.659, "axes": {"activity": 12.65, "binding": 2.31, "selectivity": 0.09, "admet": 2.95, "novelty": 2.56, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 5.359, "fraction": 0.422}, "binding": {"pIC50": 5.37, "LE": 0.283, "potency_term": 0.122, "efficiency_cap": 0.943}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.122}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.132, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.76, "cyp2c9-veith": 0.486, "cyp3a4-substrate-carbonmangels": 0.654, "ld50-zhu": 0.572, "herg": 0.244, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "3", "pAct_q10": 5.35876855518715, "aff_pf": 0.6328360040982565, "aff_hs": 0.704865018526713, "repeats_pf": {"runs": 3, "values": [0.6547, 0.7032, 0.5406], "mean": 0.6328, "spread": 0.1626}, "repeats_hs": {"runs": 3, "values": [0.6877, 0.7162, 0.7107], "mean": 0.7049, "spread": 0.0285}, "at": 1787241213}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234912, "scored_at": 1787241213, "alerts": [], "rank": 4738}, {"candidate_id": "ODC-73CE41", "res_at": 1788793874, "skeleton": "WHAOYRULCUFDMX", "hf_user": "Bio-JS", "display_name": "0907-S1-15", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=S1(=O··········2)CC1", "total": 22.634, "axes": {"activity": 10.58, "binding": 4.46, "selectivity": 1.36, "admet": 2.41, "novelty": 2.22, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.235, "fraction": 0.353}, "binding": {"pIC50": 5.87, "LE": 0.23, "potency_term": 0.291, "efficiency_cap": 0.766}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.291}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.729, "ld50-zhu": 0.741, "herg": 0.05, "dili": 0.335}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.2350194482270505, "aff_pf": 0.1269002159436544, "aff_hs": 0.5954574147860209, "repeats_pf": {"runs": 3, "values": [0.163, 0.149, 0.0687], "mean": 0.1269, "spread": 0.0942}, "repeats_hs": {"runs": 3, "values": [0.5745, 0.6591, 0.5528], "mean": 0.5955, "spread": 0.1062}, "at": 1788793874}, "tier": 1, "alerts": [], "total_sd": 0.244, "total_ci95": [22.234, 23.07], "relegate_reason": [], "submitted_at": 1788707724, "scored_at": 1788793874, "rank": 4739}, {"candidate_id": "ODC-4D42EC", "res_at": 1787460091, "skeleton": "WBDOBNDWKHZAKD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········C1CC1", "total": 22.628, "axes": {"activity": 7.43, "binding": 7.22, "selectivity": 2.11, "admet": 2.61, "novelty": 2.02, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.046, "fraction": 0.248}, "binding": {"pIC50": 6.12, "LE": 0.289, "potency_term": 0.374, "efficiency_cap": 0.964}, "selectivity": {"fold": 3.7, "selectivity_term": 0.281, "target_engagement": 0.374}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.73, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.952, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.045527624478062, "aff_pf": -0.12303670744101207, "aff_hs": 0.4397706886132558, "repeats_pf": {"runs": 3, "values": [-0.2008, -0.1351, -0.0332], "mean": -0.123, "spread": 0.1675}, "repeats_hs": {"runs": 3, "values": [0.469, 0.3763, 0.4741], "mean": 0.4398, "spread": 0.0978}, "at": 1787460091}, "tier": 1, "relegate_reason": [], "submitted_at": 1787459185, "scored_at": 1787460091, "alerts": [], "rank": 4740}, {"candidate_id": "ODC-3834CD", "res_at": 1786890345, "skeleton": "XNISYUULMRPAON", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 22.626, "axes": {"activity": 8.84, "binding": 6.38, "selectivity": 1.6, "admet": 2.25, "novelty": 2.19, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 5.96, "LE": 0.34, "potency_term": 0.319, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.251, "target_engagement": 0.319}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.867, "ld50-zhu": 0.571, "herg": 0.429, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.130595264822769, "aff_pf": 0.0431197981039683, "aff_hs": 0.5453207790851593, "repeats_pf": {"runs": 3, "values": [-0.0297, 0.1794, -0.0203], "mean": 0.0431, "spread": 0.2091}, "repeats_hs": {"runs": 3, "values": [0.434, 0.6681, 0.5338], "mean": 0.5453, "spread": 0.2341}, "at": 1786890345}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881223, "scored_at": 1786890345, "alerts": [], "rank": 4741}, {"candidate_id": "ODC-46FBB0", "res_at": 1789952940, "skeleton": "SSCAWFAIGHRVAA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCNC(··········CCCC1", "total": 22.625, "axes": {"activity": 13.43, "binding": 1.38, "selectivity": 0.0, "admet": 3.06, "novelty": 3.28, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.406, "fraction": 0.448}, "binding": {"pIC50": 5.31, "LE": 0.197, "potency_term": 0.105, "efficiency_cap": 0.656}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.105}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.499, "cyp2c9-veith": 0.91, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.05, "dili": 0.345}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.405696556072376, "aff_pf": 0.6853643457094828, "aff_hs": 0.20915995786587396, "repeats_pf": {"runs": 3, "values": [0.8177, 0.5835, 0.6549], "mean": 0.6854, "spread": 0.2342}, "repeats_hs": {"runs": 3, "values": [0.3351, 0.1213, 0.1711], "mean": 0.2092, "spread": 0.2139}, "at": 1789952940}, "tier": 1, "alerts": [], "total_sd": 0.253, "total_ci95": [22.027, 22.992], "relegate_reason": [], "submitted_at": 1789863568, "scored_at": 1789952940, "rank": 4742}, {"candidate_id": "ODC-C31E4B", "res_at": 1789876836, "skeleton": "IWVDQPIBGKJEQP", "hf_user": "Bio-JS", "display_name": "0917-S1-div17", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 22.612, "axes": {"activity": 11.18, "binding": 3.9, "selectivity": 0.0, "admet": 3.49, "novelty": 2.43, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 5.59, "LE": 0.319, "potency_term": 0.195, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.195}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.806, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.802, "herg": 0.506, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.271020907218154, "aff_pf": 0.4144820322593053, "aff_hs": -0.019490808248519897, "repeats_pf": {"runs": 3, "values": [-0.0772, 0.6495, 0.6712], "mean": 0.4145, "spread": 0.7484}, "repeats_hs": {"runs": 3, "values": [0.0073, -0.0393, -0.0265], "mean": -0.0195, "spread": 0.0466}, "at": 1789876836}, "tier": 1, "alerts": [], "total_sd": 1.325, "total_ci95": [20.9, 26.057], "relegate_reason": [], "submitted_at": 1789628615, "scored_at": 1789876836, "rank": 4743}, {"candidate_id": "ODC-5B98F9", "res_at": 1787372506, "skeleton": "JTZGXPMEJHYZTD", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)C(··········2)CC1", "total": 22.606, "axes": {"activity": 11.05, "binding": 4.66, "selectivity": 0.11, "admet": 2.99, "novelty": 2.7, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 5.263, "fraction": 0.368}, "binding": {"pIC50": 5.72, "LE": 0.29, "potency_term": 0.241, "efficiency_cap": 0.968}, "selectivity": {"fold": 1.1, "selectivity_term": 0.023, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.527, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.635, "cyp2c9-veith": 0.934, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.639, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "3", "pAct_q10": 5.2627173596117816, "aff_pf": 0.27729373176892597, "aff_hs": 0.3236044744650523, "repeats_pf": {"runs": 3, "values": [0.2361, 0.3132, 0.2826], "mean": 0.2773, "spread": 0.0771}, "repeats_hs": {"runs": 3, "values": [0.3043, 0.2243, 0.4422], "mean": 0.3236, "spread": 0.2179}, "at": 1787372506}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365132, "scored_at": 1787372506, "alerts": [], "rank": 4744}, {"candidate_id": "ODC-382B42", "res_at": 1787438012, "skeleton": "OCMGTSHICCUUBH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········2)CC1", "total": 22.592, "axes": {"activity": 12.77, "binding": 2.74, "selectivity": 0.0, "admet": 2.45, "novelty": 2.5, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.426}, "binding": {"pIC50": 5.52, "LE": 0.236, "potency_term": 0.174, "efficiency_cap": 0.788}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.174}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.786, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.327, "herg": 0.05, "dili": 0.974}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.11}}, "run": {"gpu": "3", "pAct_q10": 5.366116391219477, "aff_pf": 0.47821350892384845, "aff_hs": -0.49879658222198486, "repeats_pf": {"runs": 3, "values": [0.4246, 0.5185, 0.4916], "mean": 0.4782, "spread": 0.0939}, "repeats_hs": {"runs": 3, "values": [-0.163, -0.7453, -0.5881], "mean": -0.4988, "spread": 0.5824}, "at": 1787438012}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436380, "scored_at": 1787438012, "alerts": [], "rank": 4745}, {"candidate_id": "ODC-A20ADA", "res_at": 1787288709, "skeleton": "WZKVYGZWTFKLLL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 22.59, "axes": {"activity": 11.52, "binding": 3.81, "selectivity": 0.0, "admet": 3.21, "novelty": 2.74, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.291, "fraction": 0.384}, "binding": {"pIC50": 5.6, "LE": 0.284, "potency_term": 0.201, "efficiency_cap": 0.948}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.392, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 0.942, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.997, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.916, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.290966654861503, "aff_pf": 0.39755786458651227, "aff_hs": 0.32207504908243817, "repeats_pf": {"runs": 3, "values": [0.3343, 0.4901, 0.3683], "mean": 0.3976, "spread": 0.1558}, "repeats_hs": {"runs": 3, "values": [0.4308, 0.1789, 0.3565], "mean": 0.3221, "spread": 0.2519}, "at": 1787288709}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286745, "scored_at": 1787288709, "alerts": [], "rank": 4746}, {"candidate_id": "ODC-EA16AB", "res_at": 1786961147, "skeleton": "HMBDNNXDCDHZQZ", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Cc··········C1CC1", "total": 22.587, "axes": {"activity": 13.6, "binding": 1.89, "selectivity": 0.0, "admet": 2.5, "novelty": 2.66, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.416, "fraction": 0.453}, "binding": {"pIC50": 5.33, "LE": 0.261, "potency_term": 0.109, "efficiency_cap": 0.869}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.889, "herg": 0.472, "dili": 0.257}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.415902740804897, "aff_pf": 0.6732058525085449, "aff_hs": 0.1817792902390162, "repeats_pf": {"runs": 3, "values": [0.7145, 0.5275, 0.7777], "mean": 0.6732, "spread": 0.2502}, "repeats_hs": {"runs": 3, "values": [0.1356, 0.2766, 0.1332], "mean": 0.1818, "spread": 0.1434}, "at": 1786961147}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959818, "scored_at": 1786961147, "alerts": [], "rank": 4747}, {"candidate_id": "ODC-1AD9E6", "res_at": 1787227335, "skeleton": "NBNIGFMTVLXLOF", "hf_user": "takutoyo", "display_name": "PfD10-01", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········nc2n1", "total": 22.567, "axes": {"activity": 10.09, "binding": 3.88, "selectivity": 2.08, "admet": 2.95, "novelty": 2.16, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.205, "fraction": 0.336}, "binding": {"pIC50": 5.58, "LE": 0.364, "potency_term": 0.194, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.194}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.505, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.652, "cyp3a4-substrate-carbonmangels": 0.943, "ld50-zhu": 0.342, "herg": 0.619, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.205389132688643, "aff_pf": 0.4183060824871063, "aff_hs": 1.4926218191782634, "repeats_pf": {"runs": 3, "values": [0.4033, 0.4635, 0.3882], "mean": 0.4183, "spread": 0.0752}, "repeats_hs": {"runs": 3, "values": [1.459, 1.5362, 1.4827], "mean": 1.4926, "spread": 0.0772}, "at": 1787227335}, "tier": 1, "relegate_reason": [], "submitted_at": 1787227143, "scored_at": 1787227335, "alerts": [], "rank": 4748}, {"candidate_id": "ODC-2A4EED", "res_at": 1787246787, "skeleton": "KJOKXCSZCMYRRP", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-SULTAM01]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC(··········=O)=O", "total": 22.567, "axes": {"activity": 1.65, "binding": 9.97, "selectivity": 0.0, "admet": 5.61, "novelty": 3.63, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 4.36, "fraction": 0.055}, "binding": {"pIC50": 6.5, "LE": 0.405, "potency_term": 0.499, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.499}, "admet": {"geometric_mean": 0.75, "per_endpoint": {"solubility-aqsoldb": 0.607, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.494, "herg": 0.758, "dili": 0.285}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 4.360459244419762, "aff_pf": -0.49570151170094806, "aff_hs": -0.9686796069145203, "repeats_pf": {"runs": 3, "values": [-0.5244, -0.4996, -0.4631], "mean": -0.4957, "spread": 0.0613}, "repeats_hs": {"runs": 3, "values": [-0.9399, -1.0362, -0.9299], "mean": -0.9687, "spread": 0.1064}, "at": 1787246787}, "tier": 1, "relegate_reason": [], "submitted_at": 1787239431, "scored_at": 1787246787, "alerts": [], "rank": 4749}, {"candidate_id": "ODC-9846BA", "res_at": 1787923772, "skeleton": "AADMYBVXDXUFNJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 22.56, "axes": {"activity": 14.24, "binding": 0.32, "selectivity": 0.0, "admet": 2.83, "novelty": 3.12, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.454, "fraction": 0.475}, "binding": {"pIC50": 4.44, "LE": 0.19, "potency_term": 0.025, "efficiency_cap": 0.634}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 0.05, "pgp-broccatelli": 0.322, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.613, "ld50-zhu": 0.744, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.454363552853602, "aff_pf": 1.5552573204040527, "aff_hs": 0.8599901795387268, "repeats_pf": {"runs": 3, "values": [1.5524, 1.5729, 1.5405], "mean": 1.5553, "spread": 0.0323}, "repeats_hs": {"runs": 3, "values": [0.8088, 0.8672, 0.904], "mean": 0.86, "spread": 0.0952}, "at": 1787923772}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898953, "scored_at": 1787923772, "alerts": [], "rank": 4750}, {"candidate_id": "ODC-C3DF05", "res_at": 1789957345, "skeleton": "UOQDDIFSZOTBLE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 22.557, "axes": {"activity": 12.69, "binding": 1.96, "selectivity": 0.0, "admet": 3.37, "novelty": 2.76, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.361, "fraction": 0.423}, "binding": {"pIC50": 5.43, "LE": 0.207, "potency_term": 0.142, "efficiency_cap": 0.688}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.142}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.709, "hia-hou": 1.0, "bioavailability-ma": 0.682, "pgp-broccatelli": 0.087, "cyp2c9-veith": 0.698, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 5.361116291326519, "aff_pf": 0.5727539459864298, "aff_hs": 0.2077779769897461, "repeats_pf": {"runs": 3, "values": [0.9048, 1.1688, -0.3554], "mean": 0.5728, "spread": 1.5242}, "repeats_hs": {"runs": 3, "values": [0.3044, 0.3167, 0.0022], "mean": 0.2078, "spread": 0.3145}, "at": 1789957345}, "tier": 1, "alerts": [], "total_sd": 2.132, "total_ci95": [20.626, 30.425], "relegate_reason": [], "submitted_at": 1789863712, "scored_at": 1789957345, "rank": 4751}, {"candidate_id": "ODC-7C0A69", "res_at": 1789063593, "skeleton": "QYQFNAQSHUKVQQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········ccc12", "total": 22.555, "axes": {"activity": 11.14, "binding": 5.62, "selectivity": 0.0, "admet": 1.69, "novelty": 2.31, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 6.12, "LE": 0.226, "potency_term": 0.372, "efficiency_cap": 0.755}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.372}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.937, "ld50-zhu": 0.595, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.268450112636092, "aff_pf": -0.1167680819829305, "aff_hs": -0.3265070120493571, "repeats_pf": {"runs": 3, "values": [-0.2292, -0.1506, 0.0295], "mean": -0.1168, "spread": 0.2587}, "repeats_hs": {"runs": 3, "values": [-0.3437, -0.3703, -0.2655], "mean": -0.3265, "spread": 0.1048}, "at": 1789063593}, "tier": 1, "alerts": [], "total_sd": 0.367, "total_ci95": [21.702, 23.235], "relegate_reason": [], "submitted_at": 1789045863, "scored_at": 1789063593, "rank": 4752}, {"candidate_id": "ODC-B0C164", "res_at": 1787428101, "skeleton": "MEPCTXFKRLVETP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)cc12", "total": 22.487, "axes": {"activity": 12.7, "binding": 2.35, "selectivity": 0.94, "admet": 1.8, "novelty": 2.87, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.362, "fraction": 0.423}, "binding": {"pIC50": 5.52, "LE": 0.204, "potency_term": 0.172, "efficiency_cap": 0.681}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.172}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.605, "ld50-zhu": 0.766, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.362254249197315, "aff_pf": 0.4832126125693321, "aff_hs": 1.0309645533561707, "repeats_pf": {"runs": 3, "values": [0.5926, 0.1136, 0.7434], "mean": 0.4832, "spread": 0.6297}, "repeats_hs": {"runs": 3, "values": [1.1086, 0.9511, 1.0332], "mean": 1.031, "spread": 0.1576}, "at": 1787428101}, "tier": 1, "relegate_reason": [], "submitted_at": 1787427379, "scored_at": 1787428101, "alerts": [], "rank": 4753}, {"candidate_id": "ODC-B45B30", "res_at": 1788811298, "skeleton": "VDYZRVFGQYRHLU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCCc1n··········)n2n1", "total": 22.477, "axes": {"activity": 9.28, "binding": 6.8, "selectivity": 1.51, "admet": 2.03, "novelty": 1.23, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.157, "fraction": 0.309}, "binding": {"pIC50": 6.02, "LE": 0.33, "potency_term": 0.34, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.34}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.639, "novelty": 0.361}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.156612066183483, "aff_pf": -0.01960376650094986, "aff_hs": 0.4254372219244639, "repeats_pf": {"runs": 3, "values": [-0.1033, -0.0614, 0.1058], "mean": -0.0196, "spread": 0.2091}, "repeats_hs": {"runs": 3, "values": [0.3749, 0.4526, 0.4488], "mean": 0.4254, "spread": 0.0776}, "at": 1788811298}, "tier": 1, "alerts": [], "total_sd": 0.909, "total_ci95": [20.567, 23.873], "relegate_reason": [], "submitted_at": 1788737758, "scored_at": 1788811298, "rank": 4754}, {"candidate_id": "ODC-1D74EF", "res_at": 1789241341, "skeleton": "WEULUFGHOIQUPS", "hf_user": "Bio-JS", "display_name": "0913-S1-div21", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2n1", "total": 22.475, "axes": {"activity": 7.8, "binding": 7.28, "selectivity": 1.01, "admet": 3.14, "novelty": 1.66, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.068, "fraction": 0.26}, "binding": {"pIC50": 6.09, "LE": 0.348, "potency_term": 0.364, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.364}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.51, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.323, "ld50-zhu": 0.39, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.067721261670442, "aff_pf": -0.0924383873740832, "aff_hs": 0.18451311687628427, "repeats_pf": {"runs": 3, "values": [-0.1129, -0.0714, -0.093], "mean": -0.0924, "spread": 0.0416}, "repeats_hs": {"runs": 3, "values": [0.3524, 0.0601, 0.141], "mean": 0.1845, "spread": 0.2923}, "at": 1789241341}, "tier": 1, "alerts": [], "total_sd": 0.304, "total_ci95": [21.986, 23.087], "relegate_reason": [], "submitted_at": 1789226364, "scored_at": 1789241341, "rank": 4755}, {"candidate_id": "ODC-CCF3C6", "res_at": 1789877483, "skeleton": "NYCWGZMFEMUPIM", "hf_user": "Bio-JS", "display_name": "0917-S1-div16", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 22.46, "axes": {"activity": 11.95, "binding": 2.45, "selectivity": 0.0, "admet": 3.75, "novelty": 2.58, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.398}, "binding": {"pIC50": 5.4, "LE": 0.274, "potency_term": 0.134, "efficiency_cap": 0.914}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.134}, "admet": {"geometric_mean": 0.628, "per_endpoint": {"solubility-aqsoldb": 0.535, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.445, "ld50-zhu": 0.81, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.317031438776355, "aff_pf": 0.5985338091850281, "aff_hs": 0.5636343955993652, "repeats_pf": {"runs": 3, "values": [0.5661, 0.6579, 0.5716], "mean": 0.5985, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [0.5564, 0.5712, 0.5633], "mean": 0.5636, "spread": 0.0148}, "at": 1789877483}, "tier": 1, "alerts": [], "total_sd": 0.157, "total_ci95": [22.076, 22.666], "relegate_reason": [], "submitted_at": 1789628610, "scored_at": 1789877483, "rank": 4756}, {"candidate_id": "ODC-AABF25", "res_at": 1786931898, "skeleton": "HQPOLZSSIYEKBB", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)c2s1", "total": 22.458, "axes": {"activity": 2.85, "binding": 10.02, "selectivity": 0.0, "admet": 3.82, "novelty": 3.88, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 4.58, "fraction": 0.095}, "binding": {"pIC50": 6.5, "LE": 0.371, "potency_term": 0.501, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.501}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.89, "ld50-zhu": 0.735, "herg": 0.553, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "2", "pAct_q10": 4.579530606515386, "aff_pf": -0.5035571058591207, "aff_hs": -0.5157203475634257, "repeats_pf": {"runs": 3, "values": [-0.4329, -0.4379, -0.6399], "mean": -0.5036, "spread": 0.207}, "repeats_hs": {"runs": 3, "values": [-0.5189, -0.5064, -0.5219], "mean": -0.5157, "spread": 0.0154}, "at": 1786931898}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924960, "scored_at": 1786931898, "alerts": [], "rank": 4757}, {"candidate_id": "ODC-4A5750", "res_at": 1787058182, "skeleton": "FPTICCCAROIPQF", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(-··········O)c12", "total": 22.434, "axes": {"activity": 6.31, "binding": 8.47, "selectivity": 0.73, "admet": 1.95, "novelty": 3.16, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 4.979, "fraction": 0.21}, "binding": {"pIC50": 6.27, "LE": 0.307, "potency_term": 0.424, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.424}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.923, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.829, "herg": 0.181, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 4.978879390192866, "aff_pf": -0.27090709408124286, "aff_hs": -0.09975982705752055, "repeats_pf": {"runs": 3, "values": [-0.2922, -0.2257, -0.2948], "mean": -0.2709, "spread": 0.0692}, "repeats_hs": {"runs": 3, "values": [-0.1021, -0.1112, -0.086], "mean": -0.0998, "spread": 0.0252}, "at": 1787058182}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057454, "scored_at": 1787058182, "alerts": [], "rank": 4758}, {"candidate_id": "ODC-EA0571", "res_at": 1787281515, "skeleton": "WGKDENKXVMFHGE", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 22.418, "axes": {"activity": 14.75, "binding": 1.88, "selectivity": 0.0, "admet": 2.66, "novelty": 1.56, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.492}, "binding": {"pIC50": 5.31, "LE": 0.27, "potency_term": 0.104, "efficiency_cap": 0.899}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.104}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.15, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.472}}, "novelty": {"max_tanimoto": 0.682, "novelty": 0.318}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "3", "pAct_q10": 5.485281957545815, "aff_pf": 0.686593234539032, "aff_hs": 0.14408150811990103, "repeats_pf": {"runs": 3, "values": [0.6967, 0.7034, 0.6597], "mean": 0.6866, "spread": 0.0437}, "repeats_hs": {"runs": 3, "values": [0.0953, 0.2794, 0.0575], "mean": 0.1441, "spread": 0.2219}, "at": 1787281515}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276221, "scored_at": 1787281515, "alerts": [], "rank": 4759}, {"candidate_id": "ODC-FBAC53", "res_at": 1790000581, "skeleton": "AKJQEWKPVCGCEX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCSc1nc··········)n2n1", "total": 22.414, "axes": {"activity": 11.94, "binding": 4.1, "selectivity": 0.0, "admet": 1.9, "novelty": 2.88, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.316, "fraction": 0.398}, "binding": {"pIC50": 5.77, "LE": 0.24, "potency_term": 0.256, "efficiency_cap": 0.798}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.256}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.29, "ld50-zhu": 0.91, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.316266388002267, "aff_pf": 0.23060382902622223, "aff_hs": 0.10013896723588307, "repeats_pf": {"runs": 3, "values": [0.1331, 0.3278, 0.2309], "mean": 0.2306, "spread": 0.1947}, "repeats_hs": {"runs": 3, "values": [0.0916, 0.0342, 0.1746], "mean": 0.1001, "spread": 0.1404}, "at": 1790000581}, "tier": 1, "alerts": [], "total_sd": 0.264, "total_ci95": [21.837, 22.81], "relegate_reason": [], "submitted_at": 1789993110, "scored_at": 1790000581, "rank": 4760}, {"candidate_id": "ODC-B77487", "res_at": 1788977523, "skeleton": "SZFLLZGUBHSBPQ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········Cl)c1", "total": 22.413, "axes": {"activity": 7.35, "binding": 7.22, "selectivity": 0.69, "admet": 2.83, "novelty": 2.52, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.041, "fraction": 0.245}, "binding": {"pIC50": 6.08, "LE": 0.362, "potency_term": 0.361, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.095, "target_engagement": 0.361}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.928, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.608, "herg": 0.545, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "0", "pAct_q10": 5.040719993911276, "aff_pf": -0.08265527213613193, "aff_hs": 0.10813273737827937, "repeats_pf": {"runs": 3, "values": [-0.0204, -0.0598, -0.1677], "mean": -0.0827, "spread": 0.1472}, "repeats_hs": {"runs": 3, "values": [0.1529, 0.0747, 0.0968], "mean": 0.1081, "spread": 0.0782}, "at": 1788977523}, "tier": 1, "alerts": [], "total_sd": 0.649, "total_ci95": [21.445, 23.899], "relegate_reason": [], "submitted_at": 1788971780, "scored_at": 1788977523, "rank": 4761}, {"candidate_id": "ODC-065BE4", "res_at": 1789123272, "skeleton": "XBQPDYNQPOWULF", "hf_user": "Bio-JS", "display_name": "0911-S1-x_N_c", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 22.395, "axes": {"activity": 11.74, "binding": 2.69, "selectivity": 0.57, "admet": 3.38, "novelty": 2.37, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.304, "fraction": 0.391}, "binding": {"pIC50": 5.4, "LE": 0.322, "potency_term": 0.135, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.213, "target_engagement": 0.135}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.876, "cyp3a4-substrate-carbonmangels": 0.597, "ld50-zhu": 0.438, "herg": 0.655, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.304275348900992, "aff_pf": 0.5961833000183105, "aff_hs": 1.0213887691497803, "repeats_pf": {"runs": 3, "values": [0.61, 0.6081, 0.5704], "mean": 0.5962, "spread": 0.0396}, "repeats_hs": {"runs": 3, "values": [1.0106, 1.0266, 1.0269], "mean": 1.0214, "spread": 0.0162}, "at": 1789123272}, "tier": 1, "alerts": [], "total_sd": 0.093, "total_ci95": [22.264, 22.527], "relegate_reason": [], "submitted_at": 1789117108, "scored_at": 1789123272, "rank": 4762}, {"candidate_id": "ODC-4C0A6E", "res_at": 1788641192, "skeleton": "PTMVICQACNPSKX", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········cc1Cl", "total": 22.383, "axes": {"activity": 10.73, "binding": 4.01, "selectivity": 0.37, "admet": 3.01, "novelty": 2.48, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.244, "fraction": 0.358}, "binding": {"pIC50": 5.6, "LE": 0.349, "potency_term": 0.2, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.092, "target_engagement": 0.2}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.478, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.479, "ld50-zhu": 0.486, "herg": 0.05, "dili": 0.346}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 5.243869909313278, "aff_pf": 0.3985499143600464, "aff_hs": 0.5827552676200867, "repeats_pf": {"runs": 3, "values": [0.2954, 0.4692, 0.4311], "mean": 0.3985, "spread": 0.1737}, "repeats_hs": {"runs": 3, "values": [0.5656, 0.5123, 0.6703], "mean": 0.5828, "spread": 0.158}, "at": 1788641192}, "tier": 1, "alerts": [], "total_sd": 0.426, "total_ci95": [21.681, 23.294], "relegate_reason": [], "submitted_at": 1788640466, "scored_at": 1788641192, "rank": 4763}, {"candidate_id": "ODC-C9916C", "res_at": 1786864978, "skeleton": "RIPDUUCAPXEQAT", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········cnc21", "total": 22.364, "axes": {"activity": 5.79, "binding": 8.32, "selectivity": 1.03, "admet": 2.71, "novelty": 2.75, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 4.947, "fraction": 0.193}, "binding": {"pIC50": 6.25, "LE": 0.357, "potency_term": 0.416, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.416}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.407, "herg": 0.209, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 4.947102172938949, "aff_pf": -0.24840597808361053, "aff_hs": -0.001013055443763733, "repeats_pf": {"runs": 3, "values": [-0.2164, -0.2376, -0.2912], "mean": -0.2484, "spread": 0.0747}, "repeats_hs": {"runs": 3, "values": [0.076, -0.0581, -0.0209], "mean": -0.001, "spread": 0.1341}, "at": 1786864978}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855398, "scored_at": 1786864978, "alerts": [], "rank": 4764}, {"candidate_id": "ODC-AF043D", "res_at": 1787291147, "skeleton": "ULQMIKDGFUVHLC", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "CCCCCCCCCC(=O)Nc1c(Nc2c(F)c(C)nc3nc(SC)nn23)ccc(Cl)c1F", "smiles_masked": null, "total": 22.361, "axes": {"activity": 13.68, "binding": 1.8, "selectivity": 0.0, "admet": 1.87, "novelty": 3.04, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.421, "fraction": 0.456}, "binding": {"pIC50": 5.37, "LE": 0.217, "potency_term": 0.125, "efficiency_cap": 0.722}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.125}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.496, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.766, "ld50-zhu": 0.606, "herg": 0.167, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 5.420867473045585, "aff_pf": 0.6263747811317444, "aff_hs": -0.4738897780577342, "repeats_pf": {"runs": 3, "values": [0.665, 0.586, 0.628], "mean": 0.6264, "spread": 0.079}, "repeats_hs": {"runs": 3, "values": [-0.4707, -0.663, -0.288], "mean": -0.4739, "spread": 0.375}, "at": 1787291147}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290620, "scored_at": 1787291147, "alerts": [], "rank": 4765}, {"candidate_id": "ODC-FB7125", "res_at": 1789547960, "skeleton": "LYGORVQBOSMJSS", "hf_user": "Bio-JS", "display_name": "0916-S1-div10", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 22.353, "axes": {"activity": 10.31, "binding": 4.82, "selectivity": 1.53, "admet": 2.5, "novelty": 1.78, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 5.72, "LE": 0.341, "potency_term": 0.241, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.647, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.731, "cyp3a4-substrate-carbonmangels": 0.209, "ld50-zhu": 0.342, "herg": 0.395, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.218875385641369, "aff_pf": 0.27682193120320636, "aff_hs": 0.9103130499521891, "repeats_pf": {"runs": 3, "values": [0.3452, 0.1825, 0.3027], "mean": 0.2768, "spread": 0.1627}, "repeats_hs": {"runs": 3, "values": [0.7807, 0.905, 1.0452], "mean": 0.9103, "spread": 0.2645}, "at": 1789547960}, "tier": 1, "alerts": [], "total_sd": 0.486, "total_ci95": [21.559, 23.423], "relegate_reason": [], "submitted_at": 1789526777, "scored_at": 1789547960, "rank": 4766}, {"candidate_id": "ODC-EDDE71", "res_at": 1788815593, "skeleton": "CEGGCNHNIOZMMI", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 22.352, "axes": {"activity": 4.43, "binding": 8.67, "selectivity": 2.06, "admet": 2.68, "novelty": 2.43, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 4.866, "fraction": 0.148}, "binding": {"pIC50": 6.3, "LE": 0.32, "potency_term": 0.433, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.636, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.256, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 4.866078881333781, "aff_pf": -0.3002363791068395, "aff_hs": 0.1740909367799759, "repeats_pf": {"runs": 3, "values": [-0.3976, -0.5492, 0.0461], "mean": -0.3002, "spread": 0.5953}, "repeats_hs": {"runs": 3, "values": [0.2628, 0.2688, -0.0093], "mean": 0.1741, "spread": 0.2781}, "at": 1788815593}, "tier": 1, "alerts": [], "total_sd": 2.549, "total_ci95": [16.767, 27.069], "relegate_reason": [], "submitted_at": 1788738160, "scored_at": 1788815593, "rank": 4767}, {"candidate_id": "ODC-CE1D6A", "res_at": 1786755573, "skeleton": "WUDHDIGZLDKWCJ", "hf_user": "Anserwise", "display_name": "Anserwise", "model_name": "OpenAI 5.6 SOL", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)nc2n1", "smiles_masked": null, "total": 22.34, "axes": {"activity": 8.73, "binding": 6.14, "selectivity": 2.54, "admet": 2.54, "novelty": 0.85, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.124, "fraction": 0.291}, "binding": {"pIC50": 5.92, "LE": 0.369, "potency_term": 0.307, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.971, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.376, "herg": 0.661, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 5.124056445705604, "aff_pf": 0.07919267565011978, "aff_hs": 0.9071781635284424, "at": 1786755573}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753741, "scored_at": 1786755573, "alerts": [], "rank": 4768}, {"candidate_id": "ODC-9B916D", "res_at": 1788767658, "skeleton": "HSECPCYERVIJNL", "hf_user": "Bio-JS", "display_name": "0906-S1-12 H/CN/R6-H/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 22.337, "axes": {"activity": 2.45, "binding": 8.76, "selectivity": 3.08, "admet": 3.78, "novelty": 2.37, "synthesis": 1.9}, "detail": {"activity": {"pAct_q10": 4.747, "fraction": 0.082}, "binding": {"pIC50": 6.31, "LE": 0.393, "potency_term": 0.438, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.438}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.231, "ld50-zhu": 0.534, "herg": 0.844, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 4.747065523080606, "aff_pf": -0.3136232892672221, "aff_hs": 0.389816015958786, "repeats_pf": {"runs": 3, "values": [-0.2313, -0.3668, -0.3428], "mean": -0.3136, "spread": 0.1355}, "repeats_hs": {"runs": 3, "values": [0.4062, 0.4075, 0.3558], "mean": 0.3898, "spread": 0.0517}, "at": 1788767658}, "tier": 1, "alerts": [], "total_sd": 0.611, "total_ci95": [21.318, 23.306], "relegate_reason": [], "submitted_at": 1788665972, "scored_at": 1788767658, "rank": 4769}, {"candidate_id": "ODC-CB108F", "res_at": 1788093712, "skeleton": "MUWRHLPGSUNWCP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 22.312, "axes": {"activity": 9.0, "binding": 6.98, "selectivity": 0.0, "admet": 2.68, "novelty": 1.91, "synthesis": 1.74}, "detail": {"activity": {"pAct_q10": 5.14, "fraction": 0.3}, "binding": {"pIC50": 6.05, "LE": 0.345, "potency_term": 0.349, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.349}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.61, "ld50-zhu": 0.574, "herg": 0.257, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "0", "pAct_q10": 5.140229273580622, "aff_pf": -0.04644123402734598, "aff_hs": -0.07088176906108856, "repeats_pf": {"runs": 3, "values": [-0.1243, 0.0094, -0.0244], "mean": -0.0464, "spread": 0.1337}, "repeats_hs": {"runs": 3, "values": [-0.0224, -0.1378, -0.0524], "mean": -0.0709, "spread": 0.1154}, "at": 1788093712}, "tier": 1, "alerts": [], "total_sd": 0.433, "total_ci95": [21.602, 23.128], "relegate_reason": [], "submitted_at": 1788081279, "scored_at": 1788093712, "rank": 4770}, {"candidate_id": "ODC-A49667", "res_at": 1786886418, "skeleton": "DTDGHNCELHGQCT", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 22.306, "axes": {"activity": 7.66, "binding": 6.66, "selectivity": 2.87, "admet": 2.58, "novelty": 0.87, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.06, "fraction": 0.255}, "binding": {"pIC50": 6.0, "LE": 0.391, "potency_term": 0.333, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.333}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.589, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.988, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.352, "herg": 0.71, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.739, "novelty": 0.261}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "2", "pAct_q10": 5.059651262439913, "aff_pf": 0.0013972570498784382, "aff_hs": 0.8642530043919882, "repeats_pf": {"runs": 3, "values": [-0.0426, 0.1347, -0.0878], "mean": 0.0014, "spread": 0.2225}, "repeats_hs": {"runs": 3, "values": [0.8051, 0.9482, 0.8394], "mean": 0.8643, "spread": 0.1431}, "at": 1786886418}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878966, "scored_at": 1786886418, "alerts": [], "rank": 4771}, {"candidate_id": "ODC-BC376F", "res_at": 1789197093, "skeleton": "KTAWYZFZWHUJJJ", "hf_user": "Bio-JS", "display_name": "0912-S1-x2_N_5Cl", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nc2n··········)n2n1", "total": 22.303, "axes": {"activity": 11.31, "binding": 2.95, "selectivity": 0.93, "admet": 3.22, "novelty": 2.2, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 5.44, "LE": 0.339, "potency_term": 0.148, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.148}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.62, "cyp3a4-substrate-carbonmangels": 0.916, "ld50-zhu": 0.34, "herg": 0.64, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.278880068968787, "aff_pf": 0.5574458340803782, "aff_hs": 1.1906683842341106, "repeats_pf": {"runs": 3, "values": [0.3588, 0.6086, 0.705], "mean": 0.5574, "spread": 0.3462}, "repeats_hs": {"runs": 3, "values": [1.2501, 1.1615, 1.1604], "mean": 1.1907, "spread": 0.0897}, "at": 1789197093}, "tier": 1, "alerts": [], "total_sd": 0.984, "total_ci95": [20.892, 24.472], "relegate_reason": [], "submitted_at": 1789177477, "scored_at": 1789197093, "rank": 4772}, {"candidate_id": "ODC-09F4C4", "res_at": 1788635529, "skeleton": "UOJIBKWUUIAYCK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········cc1Cl", "total": 22.295, "axes": {"activity": 12.94, "binding": 0.38, "selectivity": 0.0, "admet": 4.14, "novelty": 2.68, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 4.39, "LE": 0.262, "potency_term": 0.022, "efficiency_cap": 0.872}, "selectivity": {"fold": 2.1, "selectivity_term": 0.157, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.64, "per_endpoint": {"solubility-aqsoldb": 0.643, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.565}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "0", "pAct_q10": 5.376330843843982, "aff_pf": 1.6068719228108723, "aff_hs": 1.9206977287928264, "repeats_pf": {"runs": 3, "values": [1.7253, 1.7517, 1.3436], "mean": 1.6069, "spread": 0.408}, "repeats_hs": {"runs": 3, "values": [1.8765, 1.9518, 1.9338], "mean": 1.9207, "spread": 0.0752}, "at": 1788635529}, "tier": 1, "alerts": [], "total_sd": 0.13, "total_ci95": [22.177, 22.696], "relegate_reason": [], "submitted_at": 1788633659, "scored_at": 1788635529, "rank": 4773}, {"candidate_id": "ODC-F8413A", "res_at": 1787011560, "skeleton": "YLQVNUHPJLMOAZ", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCN··········COCC1", "total": 22.276, "axes": {"activity": 14.12, "binding": 0.19, "selectivity": 0.0, "admet": 2.48, "novelty": 3.32, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.447, "fraction": 0.471}, "binding": {"pIC50": 5.04, "LE": 0.216, "potency_term": 0.013, "efficiency_cap": 0.719}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.013}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.13, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.578}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.446994832009671, "aff_pf": 0.9602061907450358, "aff_hs": 0.6772220730781555, "repeats_pf": {"runs": 3, "values": [1.0206, 1.016, 0.844], "mean": 0.9602, "spread": 0.1766}, "repeats_hs": {"runs": 3, "values": [0.5757, 0.9369, 0.519], "mean": 0.6772, "spread": 0.4179}, "at": 1787011560}, "tier": 1, "relegate_reason": [], "submitted_at": 1787011366, "scored_at": 1787011560, "alerts": [], "rank": 4774}, {"candidate_id": "ODC-C0E121", "res_at": 1787236721, "skeleton": "XZCLKPYZIWMFGL", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········)cc12", "total": 22.273, "axes": {"activity": 13.88, "binding": 0.12, "selectivity": 0.03, "admet": 3.01, "novelty": 3.15, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.433, "fraction": 0.463}, "binding": {"pIC50": 5.03, "LE": 0.203, "potency_term": 0.009, "efficiency_cap": 0.675}, "selectivity": {"fold": 2.5, "selectivity_term": 0.2, "target_engagement": 0.009}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.564, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.432737002376794, "aff_pf": 0.9740795691808065, "aff_hs": 1.3747671445210774, "repeats_pf": {"runs": 3, "values": [0.9259, 1.2011, 0.7952], "mean": 0.9741, "spread": 0.4059}, "repeats_hs": {"runs": 3, "values": [1.4422, 1.2823, 1.3998], "mean": 1.3748, "spread": 0.1599}, "at": 1787236721}, "tier": 1, "relegate_reason": [], "submitted_at": 1787233788, "scored_at": 1787236721, "alerts": [], "rank": 4775}, {"candidate_id": "ODC-1427F0", "res_at": 1787348555, "skeleton": "LAGPJRFMIFHDGN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········)CCC1", "total": 22.268, "axes": {"activity": 14.22, "binding": 1.24, "selectivity": 0.19, "admet": 1.65, "novelty": 3.14, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.453, "fraction": 0.474}, "binding": {"pIC50": 5.25, "LE": 0.225, "potency_term": 0.082, "efficiency_cap": 0.749}, "selectivity": {"fold": 1.7, "selectivity_term": 0.113, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 0.06, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.868, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.229, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.453368473109153, "aff_pf": 0.7525653044382731, "aff_hs": 0.979313850402832, "repeats_pf": {"runs": 3, "values": [0.9165, 0.459, 0.8822], "mean": 0.7526, "spread": 0.4575}, "repeats_hs": {"runs": 3, "values": [0.8441, 1.0604, 1.0334], "mean": 0.9793, "spread": 0.2163}, "at": 1787348555}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347611, "scored_at": 1787348555, "alerts": [], "rank": 4776}, {"candidate_id": "ODC-0B4790", "res_at": 1787199431, "skeleton": "QNMZTRHQPGWMJR", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-04-F-Cl-A", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········)c1Cl", "total": 22.21, "axes": {"activity": 11.15, "binding": 4.07, "selectivity": 0.0, "admet": 2.96, "novelty": 2.75, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.269, "fraction": 0.372}, "binding": {"pIC50": 5.62, "LE": 0.296, "potency_term": 0.206, "efficiency_cap": 0.987}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.206}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.977, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.606, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.269001769788443, "aff_pf": 0.3819034695625305, "aff_hs": -0.24286393324534097, "repeats_pf": {"runs": 3, "values": [0.3379, 0.3344, 0.4734], "mean": 0.3819, "spread": 0.139}, "repeats_hs": {"runs": 3, "values": [-0.5359, -0.6093, 0.4166], "mean": -0.2429, "spread": 1.0259}, "at": 1787199431}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195519, "scored_at": 1787199431, "alerts": [], "rank": 4777}, {"candidate_id": "ODC-7A35F6", "res_at": 1786893810, "skeleton": "UHRGXIHBNLNMSQ", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 22.209, "axes": {"activity": 9.88, "binding": 5.22, "selectivity": 1.75, "admet": 2.0, "novelty": 2.04, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.193, "fraction": 0.329}, "binding": {"pIC50": 5.78, "LE": 0.33, "potency_term": 0.261, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.261}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.507, "cyp2c9-veith": 0.055, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.798, "herg": 0.145, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.192661260647227, "aff_pf": 0.21764381726582846, "aff_hs": 0.8899844090143839, "repeats_pf": {"runs": 3, "values": [0.1804, 0.1999, 0.2726], "mean": 0.2176, "spread": 0.0922}, "repeats_hs": {"runs": 3, "values": [0.769, 0.9329, 0.9681], "mean": 0.89, "spread": 0.1991}, "at": 1786893810}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879415, "scored_at": 1786893810, "alerts": [], "rank": 4778}, {"candidate_id": "ODC-FE6AA9", "res_at": 1786941936, "skeleton": "XLUBXBYHHMURGT", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········[nH]1", "total": 22.192, "axes": {"activity": 7.23, "binding": 6.67, "selectivity": 1.86, "admet": 2.52, "novelty": 2.38, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.034, "fraction": 0.241}, "binding": {"pIC50": 6.0, "LE": 0.329, "potency_term": 0.334, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.334}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.726, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.543, "herg": 0.05, "dili": 0.322}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.0337552013659215, "aff_pf": -0.0007812852660814921, "aff_hs": 0.5557897289594015, "repeats_pf": {"runs": 3, "values": [-0.0602, 0.1341, -0.0762], "mean": -0.0008, "spread": 0.2103}, "repeats_hs": {"runs": 3, "values": [0.5627, 0.5367, 0.568], "mean": 0.5558, "spread": 0.0313}, "at": 1786941936}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933359, "scored_at": 1786941936, "alerts": [], "rank": 4779}, {"candidate_id": "ODC-2BC8A0", "res_at": 1787204059, "skeleton": "DKZUUKVSGQTMNJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········C1CC1", "total": 22.176, "axes": {"activity": 9.52, "binding": 5.94, "selectivity": 0.94, "admet": 2.93, "novelty": 1.3, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.171, "fraction": 0.317}, "binding": {"pIC50": 5.89, "LE": 0.367, "potency_term": 0.297, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.297}, "admet": {"geometric_mean": 0.616, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.638, "cyp3a4-substrate-carbonmangels": 0.163, "ld50-zhu": 0.651, "herg": 0.822, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.59, "novelty": 0.41}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.171473082074165, "aff_pf": 0.10963364442189534, "aff_hs": 0.42551863193511963, "repeats_pf": {"runs": 3, "values": [0.0567, 0.0844, 0.1878], "mean": 0.1096, "spread": 0.1311}, "repeats_hs": {"runs": 3, "values": [0.411, 0.422, 0.4435], "mean": 0.4255, "spread": 0.0325}, "at": 1787204059}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200645, "scored_at": 1787204059, "alerts": [], "rank": 4780}, {"candidate_id": "ODC-75B3DA", "res_at": 1786771484, "skeleton": "PERGPLPNCZHWDN", "hf_user": "Sunghokim", "display_name": "SUNGHOKIM", "model_name": "Claude 5 Fable", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········C1CC1", "total": 22.17, "axes": {"activity": 9.15, "binding": 5.6, "selectivity": 2.08, "admet": 1.87, "novelty": 2.13, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.149, "fraction": 0.305}, "binding": {"pIC50": 5.84, "LE": 0.308, "potency_term": 0.28, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.28}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.834, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.687, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.357, "ld50-zhu": 0.751, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.148791884619505, "aff_pf": 0.15967001020908356, "aff_hs": 0.9010460376739502, "at": 1786771484}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771327, "scored_at": 1786771484, "alerts": [], "rank": 4781}, {"candidate_id": "ODC-111889", "res_at": 1787276193, "skeleton": "YKFIDEFRYDMGPX", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 22.162, "axes": {"activity": 12.09, "binding": 3.02, "selectivity": 0.28, "admet": 3.2, "novelty": 2.23, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 5.47, "LE": 0.288, "potency_term": 0.157, "efficiency_cap": 0.961}, "selectivity": {"fold": 1.5, "selectivity_term": 0.09, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.546, "cyp3a4-substrate-carbonmangels": 0.483, "ld50-zhu": 0.571, "herg": 0.152, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.325686445689419, "aff_pf": 0.5285212298234304, "aff_hs": 0.707750161488851, "repeats_pf": {"runs": 3, "values": [0.5665, 0.5621, 0.457], "mean": 0.5285, "spread": 0.1095}, "repeats_hs": {"runs": 3, "values": [0.707, 0.7251, 0.6911], "mean": 0.7078, "spread": 0.0341}, "at": 1787276193}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276002, "scored_at": 1787276193, "alerts": [], "rank": 4782}, {"candidate_id": "ODC-FF9D7A", "res_at": 1787135092, "skeleton": "HQJNRVNTRXTSEG", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········(C)n1", "total": 22.157, "axes": {"activity": 13.15, "binding": 1.72, "selectivity": 0.31, "admet": 2.18, "novelty": 2.81, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.389, "fraction": 0.438}, "binding": {"pIC50": 5.4, "LE": 0.195, "potency_term": 0.133, "efficiency_cap": 0.649}, "selectivity": {"fold": 1.7, "selectivity_term": 0.118, "target_engagement": 0.133}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.473, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.814, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.606, "herg": 0.156, "dili": 0.962}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.388751206928882, "aff_pf": 0.6014266411463419, "aff_hs": 0.8376168608665466, "repeats_pf": {"runs": 3, "values": [0.6206, 0.6553, 0.5283], "mean": 0.6014, "spread": 0.127}, "repeats_hs": {"runs": 3, "values": [0.8013, 0.8792, 0.8324], "mean": 0.8376, "spread": 0.0779}, "at": 1787135092}, "tier": 1, "relegate_reason": [], "submitted_at": 1787134802, "scored_at": 1787135092, "alerts": [], "rank": 4783}, {"candidate_id": "ODC-C46489", "res_at": 1787177293, "skeleton": "SIBNZUQZSGKXED", "hf_user": "1Dmeds", "display_name": "ODC26-FN-30", "model_name": "Claude Opus 5 series sentinel", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 22.148, "axes": {"activity": 13.8, "binding": 0.67, "selectivity": 0.28, "admet": 2.02, "novelty": 3.3, "synthesis": 2.07}, "detail": {"activity": {"pAct_q10": 5.428, "fraction": 0.46}, "binding": {"pIC50": 5.14, "LE": 0.213, "potency_term": 0.047, "efficiency_cap": 0.712}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 0.047}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.298}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.428040254093606, "aff_pf": 0.8584606448809305, "aff_hs": 1.4433573484420776, "repeats_pf": {"runs": 3, "values": [0.9269, 1.0049, 0.6436], "mean": 0.8585, "spread": 0.3613}, "repeats_hs": {"runs": 3, "values": [1.1913, 1.7345, 1.4044], "mean": 1.4434, "spread": 0.5432}, "at": 1787177293}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171878, "scored_at": 1787177293, "alerts": [], "rank": 4784}, {"candidate_id": "ODC-3423A8", "res_at": 1789355889, "skeleton": "MRDSTLIXHWNOTQ", "hf_user": "Bio-JS", "display_name": "0914-S1-div13", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)(F)F", "total": 22.142, "axes": {"activity": 11.0, "binding": 3.73, "selectivity": 0.45, "admet": 3.06, "novelty": 2.28, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.26, "fraction": 0.367}, "binding": {"pIC50": 5.56, "LE": 0.305, "potency_term": 0.186, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.121, "target_engagement": 0.186}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.442, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.952, "cyp3a4-substrate-carbonmangels": 0.864, "ld50-zhu": 0.334, "herg": 0.492, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.2602399992762745, "aff_pf": 0.4411252836386363, "aff_hs": 0.6832972566286722, "repeats_pf": {"runs": 3, "values": [0.4337, 0.3795, 0.5102], "mean": 0.4411, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [0.6115, 0.7065, 0.7319], "mean": 0.6833, "spread": 0.1205}, "at": 1789355889}, "tier": 1, "alerts": [], "total_sd": 0.3, "total_ci95": [21.551, 22.747], "relegate_reason": [], "submitted_at": 1789346122, "scored_at": 1789355889, "rank": 4785}, {"candidate_id": "ODC-12FCC7", "res_at": 1786866607, "skeleton": "PPQDXUYZENNGHL", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN1C(=O··········COCC2", "total": 22.138, "axes": {"activity": 7.26, "binding": 6.75, "selectivity": 1.84, "admet": 2.68, "novelty": 2.53, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 5.036, "fraction": 0.242}, "binding": {"pIC50": 6.01, "LE": 0.305, "potency_term": 0.337, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.272, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.65, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.867, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.284}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.035717836698311, "aff_pf": -0.012446260700623194, "aff_hs": 0.5318665703137716, "repeats_pf": {"runs": 3, "values": [0.0294, -0.0113, -0.0555], "mean": -0.0124, "spread": 0.0848}, "repeats_hs": {"runs": 3, "values": [0.4764, 0.4923, 0.6269], "mean": 0.5319, "spread": 0.1505}, "at": 1786866607}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859408, "scored_at": 1786866607, "alerts": [], "rank": 4786}, {"candidate_id": "ODC-8B880E", "res_at": 1788807014, "skeleton": "RIUFOJVCUXLRIX", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········[nH]1", "total": 22.138, "axes": {"activity": 9.73, "binding": 5.72, "selectivity": 2.07, "admet": 2.15, "novelty": 1.37, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 5.184, "fraction": 0.324}, "binding": {"pIC50": 5.86, "LE": 0.309, "potency_term": 0.286, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.286}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.243, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.366, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.455, "herg": 0.807, "dili": 0.699}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "0", "pAct_q10": 5.18386841369336, "aff_pf": 0.1412538985411326, "aff_hs": 0.8656108975410461, "repeats_pf": {"runs": 3, "values": [0.1636, 0.1237, 0.1365], "mean": 0.1413, "spread": 0.0399}, "repeats_hs": {"runs": 3, "values": [0.7764, 0.843, 0.9775], "mean": 0.8656, "spread": 0.2011}, "at": 1788807014}, "tier": 1, "alerts": [], "total_sd": 0.192, "total_ci95": [21.791, 22.511], "relegate_reason": [], "submitted_at": 1788737267, "scored_at": 1788807014, "rank": 4787}, {"candidate_id": "ODC-4F78A5", "res_at": 1789080581, "skeleton": "SJBAHCCNWGLTJG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 22.138, "axes": {"activity": 11.61, "binding": 2.79, "selectivity": 0.26, "admet": 3.03, "novelty": 2.5, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.297, "fraction": 0.387}, "binding": {"pIC50": 5.44, "LE": 0.287, "potency_term": 0.146, "efficiency_cap": 0.955}, "selectivity": {"fold": 1.5, "selectivity_term": 0.09, "target_engagement": 0.146}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.868, "cyp3a4-substrate-carbonmangels": 0.888, "ld50-zhu": 0.46, "herg": 0.135, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 5.296766394818418, "aff_pf": 0.5615132550398508, "aff_hs": 0.74125736951828, "repeats_pf": {"runs": 3, "values": [0.4311, 0.8501, 0.4033], "mean": 0.5615, "spread": 0.4467}, "repeats_hs": {"runs": 3, "values": [0.7123, 0.726, 0.7855], "mean": 0.7413, "spread": 0.0732}, "at": 1789080581}, "tier": 1, "alerts": [], "total_sd": 0.999, "total_ci95": [20.878, 23.657], "relegate_reason": [], "submitted_at": 1789046064, "scored_at": 1789080581, "rank": 4788}, {"candidate_id": "ODC-EC532F", "res_at": 1788982006, "skeleton": "YSKRNWOKPUGGNR", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········Cl)c1", "total": 22.134, "axes": {"activity": 3.92, "binding": 8.18, "selectivity": 2.48, "admet": 2.8, "novelty": 2.71, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 4.835, "fraction": 0.131}, "binding": {"pIC50": 6.23, "LE": 0.388, "potency_term": 0.409, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.304, "target_engagement": 0.409}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.059, "cyp3a4-substrate-carbonmangels": 0.655, "ld50-zhu": 0.44, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "0", "pAct_q10": 4.835298763592073, "aff_pf": -0.22628915309906006, "aff_hs": 0.3811869223912557, "repeats_pf": {"runs": 3, "values": [-0.328, -0.1806, -0.1703], "mean": -0.2263, "spread": 0.1576}, "repeats_hs": {"runs": 3, "values": [0.3721, 0.3709, 0.4005], "mean": 0.3812, "spread": 0.0296}, "at": 1788982006}, "tier": 1, "alerts": [], "total_sd": 0.846, "total_ci95": [21.109, 24.137], "relegate_reason": [], "submitted_at": 1788972205, "scored_at": 1788982006, "rank": 4789}, {"candidate_id": "ODC-DFF3FE", "res_at": 1787349752, "skeleton": "XAXMCNRXQLUVFO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCN··········)CCC1", "total": 22.097, "axes": {"activity": 12.94, "binding": 1.61, "selectivity": 0.75, "admet": 2.36, "novelty": 2.97, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 5.36, "LE": 0.204, "potency_term": 0.119, "efficiency_cap": 0.679}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.119}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.547, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 0.502, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.953, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.408, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.376116461026194, "aff_pf": 0.6443959871927897, "aff_hs": 1.2800207138061523, "repeats_pf": {"runs": 3, "values": [0.7283, 0.6096, 0.5953], "mean": 0.6444, "spread": 0.133}, "repeats_hs": {"runs": 3, "values": [1.1787, 1.3545, 1.3069], "mean": 1.28, "spread": 0.1758}, "at": 1787349752}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347650, "scored_at": 1787349752, "alerts": [], "rank": 4790}, {"candidate_id": "ODC-166F03", "res_at": 1788453360, "skeleton": "HMVJROBJYQFKLV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccc··········2)CC1", "total": 22.091, "axes": {"activity": 14.05, "binding": 0.13, "selectivity": 0.0, "admet": 2.91, "novelty": 3.34, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.468}, "binding": {"pIC50": 5.03, "LE": 0.191, "potency_term": 0.01, "efficiency_cap": 0.638}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.01}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 0.97, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "0", "pAct_q10": 5.442950083645338, "aff_pf": 0.9703858097394308, "aff_hs": 0.7073442141215006, "repeats_pf": {"runs": 3, "values": [0.7883, 1.1444, 0.9784], "mean": 0.9704, "spread": 0.3561}, "repeats_hs": {"runs": 3, "values": [0.464, 0.7696, 0.8884], "mean": 0.7073, "spread": 0.4243}, "at": 1788453360}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [22.057, 23.149], "relegate_reason": [], "submitted_at": 1788394118, "scored_at": 1788453360, "rank": 4791}, {"candidate_id": "ODC-9420D0", "res_at": 1787037308, "skeleton": "AUWFFRGIRDACOV", "hf_user": "SUSU01010", "display_name": "susu", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc2n1", "total": 22.079, "axes": {"activity": 13.85, "binding": 1.36, "selectivity": 0.0, "admet": 2.04, "novelty": 2.85, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.431, "fraction": 0.462}, "binding": {"pIC50": 4.99, "LE": 0.207, "potency_term": 0.099, "efficiency_cap": 0.691}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.138, "cyp3a4-substrate-carbonmangels": 0.741, "ld50-zhu": 0.726, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.431047290087336, "aff_pf": 1.0055523713429768, "aff_hs": 0.23121649275223413, "repeats_pf": {"runs": 3, "values": [0.9959, 0.8843, 1.1365], "mean": 1.0056, "spread": 0.2522}, "repeats_hs": {"runs": 3, "values": [0.3175, 0.0828, 0.2934], "mean": 0.2312, "spread": 0.2347}, "at": 1787037308}, "tier": 1, "relegate_reason": [], "submitted_at": 1787034800, "scored_at": 1787037308, "alerts": [], "rank": 4792}, {"candidate_id": "ODC-6F9949", "res_at": 1789927370, "skeleton": "JJZYGDNHNHXSQL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 22.055, "axes": {"activity": 11.67, "binding": 3.47, "selectivity": 0.23, "admet": 3.28, "novelty": 2.04, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.3, "fraction": 0.389}, "binding": {"pIC50": 5.52, "LE": 0.303, "potency_term": 0.174, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.067, "target_engagement": 0.174}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.208, "cyp3a4-substrate-carbonmangels": 0.746, "ld50-zhu": 0.507, "herg": 0.801, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.476, "novelty": 0.524}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 5.300283380736873, "aff_pf": 0.47907884418964386, "aff_hs": 0.6123324433962504, "repeats_pf": {"runs": 3, "values": [0.6797, 0.5421, 0.2155], "mean": 0.4791, "spread": 0.4642}, "repeats_hs": {"runs": 3, "values": [0.5593, 0.628, 0.6497], "mean": 0.6123, "spread": 0.0903}, "at": 1789927370}, "tier": 1, "alerts": [], "total_sd": 1.01, "total_ci95": [20.426, 24.539], "relegate_reason": [], "submitted_at": 1789919016, "scored_at": 1789927370, "rank": 4793}, {"candidate_id": "ODC-F505DB", "res_at": 1789497337, "skeleton": "KZNYGPWXSCTUTK", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O[C@](C··········F)c1F", "total": 22.051, "axes": {"activity": 7.13, "binding": 8.67, "selectivity": 0.0, "admet": 1.55, "novelty": 3.1, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.028, "fraction": 0.238}, "binding": {"pIC50": 6.7, "LE": 0.229, "potency_term": 0.567, "efficiency_cap": 0.765}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.567}, "admet": {"geometric_mean": 0.238, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.475, "hia-hou": 0.935, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.437, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "0", "pAct_q10": 5.027975904435751, "aff_pf": -0.7002413868904114, "aff_hs": -0.9148953755696615, "repeats_pf": {"runs": 3, "values": [-0.7402, -0.6629, -0.6976], "mean": -0.7002, "spread": 0.0773}, "repeats_hs": {"runs": 3, "values": [-0.9688, -1.1205, -0.6554], "mean": -0.9149, "spread": 0.4652}, "at": 1789497337}, "tier": 1, "alerts": [], "total_sd": 0.196, "total_ci95": [21.642, 22.492], "relegate_reason": [], "submitted_at": 1789490778, "scored_at": 1789497337, "rank": 4794}, {"candidate_id": "ODC-CCA15F", "res_at": 1786964137, "skeleton": "IJJLLYYXACNHPD", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C1CC1", "total": 22.029, "axes": {"activity": 9.78, "binding": 5.65, "selectivity": 0.6, "admet": 2.48, "novelty": 2.23, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 5.86, "LE": 0.297, "potency_term": 0.285, "efficiency_cap": 0.99}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.285}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.586, "ld50-zhu": 0.846, "herg": 0.098, "dili": 0.179}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.186628479384753, "aff_pf": 0.14403794209162393, "aff_hs": 0.352743665377299, "repeats_pf": {"runs": 3, "values": [0.1112, 0.2179, 0.103], "mean": 0.144, "spread": 0.1149}, "repeats_hs": {"runs": 3, "values": [0.243, 0.4747, 0.3406], "mean": 0.3527, "spread": 0.2317}, "at": 1786964137}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963415, "scored_at": 1786964137, "alerts": [], "rank": 4795}, {"candidate_id": "ODC-892F86", "res_at": 1787286438, "skeleton": "IFXPZOQZHXQYBC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········F)cn1", "total": 22.021, "axes": {"activity": 11.97, "binding": 2.32, "selectivity": 0.0, "admet": 3.37, "novelty": 2.88, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 5.36, "LE": 0.293, "potency_term": 0.118, "efficiency_cap": 0.978}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.118}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.569, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.3182776094811794, "aff_pf": 0.644560972849528, "aff_hs": 0.29583899180094403, "repeats_pf": {"runs": 3, "values": [0.6801, 0.5898, 0.6638], "mean": 0.6446, "spread": 0.0903}, "repeats_hs": {"runs": 3, "values": [0.3971, 0.0617, 0.4286], "mean": 0.2958, "spread": 0.3669}, "at": 1787286438}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286063, "scored_at": 1787286438, "alerts": [], "rank": 4796}, {"candidate_id": "ODC-AF60EA", "res_at": 1786779819, "skeleton": "DMFBEMKSFUEQGG", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)c1OC", "total": 22.01, "axes": {"activity": 6.55, "binding": 8.56, "selectivity": 0.49, "admet": 2.63, "novelty": 1.8, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 4.993, "fraction": 0.218}, "binding": {"pIC50": 6.28, "LE": 0.331, "potency_term": 0.428, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.421, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 4.992731583608338, "aff_pf": -0.28352513412634534, "aff_hs": -0.16915041208267212, "repeats_pf": {"runs": 3, "values": [-0.3591, -0.1445, -0.3469], "mean": -0.2835, "spread": 0.2146}, "repeats_hs": {"runs": 3, "values": [-0.2647, -0.1043, -0.1385], "mean": -0.1692, "spread": 0.1604}, "at": 1786779819}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779207, "scored_at": 1786779819, "alerts": [], "rank": 4797}, {"candidate_id": "ODC-117A92", "res_at": 1789118330, "skeleton": "YEWLUJDMLGHBPO", "hf_user": "Bio-JS", "display_name": "0911-S1-2pos_COC", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 22.009, "axes": {"activity": 7.22, "binding": 7.25, "selectivity": 1.68, "admet": 2.46, "novelty": 1.87, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.033, "fraction": 0.241}, "binding": {"pIC50": 6.09, "LE": 0.334, "potency_term": 0.363, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.232, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.584, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.446, "herg": 0.175, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.033159625060295, "aff_pf": -0.0876028264562289, "aff_hs": 0.37663623690605164, "repeats_pf": {"runs": 3, "values": [-0.0942, -0.0623, -0.1063], "mean": -0.0876, "spread": 0.044}, "repeats_hs": {"runs": 3, "values": [0.4382, 0.3145, 0.3772], "mean": 0.3766, "spread": 0.1237}, "at": 1789118330}, "tier": 1, "alerts": [], "total_sd": 0.211, "total_ci95": [21.648, 22.414], "relegate_reason": [], "submitted_at": 1789117010, "scored_at": 1789118330, "rank": 4798}, {"candidate_id": "ODC-9CC481", "res_at": 1789067419, "skeleton": "JFYVBVAQOYILRS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········ncc12", "total": 21.985, "axes": {"activity": 11.06, "binding": 5.37, "selectivity": 0.18, "admet": 1.36, "novelty": 2.5, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 6.05, "LE": 0.23, "potency_term": 0.35, "efficiency_cap": 0.768}, "selectivity": {"fold": 1.1, "selectivity_term": 0.026, "target_engagement": 0.35}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.644, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.565, "herg": 0.334, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.263598614754156, "aff_pf": -0.05040833602348963, "aff_hs": 0.0016761906445026398, "repeats_pf": {"runs": 3, "values": [-0.1007, 0.0539, -0.1045], "mean": -0.0504, "spread": 0.1584}, "repeats_hs": {"runs": 3, "values": [-0.0909, 0.1307, -0.0348], "mean": 0.0017, "spread": 0.2216}, "at": 1789067419}, "tier": 1, "alerts": [], "total_sd": 0.411, "total_ci95": [21.185, 22.766], "relegate_reason": [], "submitted_at": 1789045899, "scored_at": 1789067419, "rank": 4799}, {"candidate_id": "ODC-99A82C", "res_at": 1787588657, "skeleton": "KCYLKSUOGTWBES", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1nn··········C2)s1", "total": 21.981, "axes": {"activity": 13.49, "binding": 0.49, "selectivity": 0.0, "admet": 2.75, "novelty": 3.43, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.409, "fraction": 0.45}, "binding": {"pIC50": 5.07, "LE": 0.302, "potency_term": 0.025, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.025}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.426, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.38, "herg": 0.05, "dili": 0.945}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.409188629394667, "aff_pf": 0.9262155890464783, "aff_hs": 0.5321769813696543, "repeats_pf": {"runs": 3, "values": [0.9656, 0.8876, 0.9255], "mean": 0.9262, "spread": 0.078}, "repeats_hs": {"runs": 3, "values": [0.4311, 0.6489, 0.5166], "mean": 0.5322, "spread": 0.2178}, "at": 1787588657}, "tier": 1, "relegate_reason": [], "submitted_at": 1787587707, "scored_at": 1787588657, "alerts": [], "rank": 4800}, {"candidate_id": "ODC-4462AE", "res_at": 1787048835, "skeleton": "SEXXKVVFIWNIPY", "hf_user": "redcrono", "display_name": "Lukecage", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2c··········c2)n1", "total": 21.973, "axes": {"activity": 4.29, "binding": 7.4, "selectivity": 3.42, "admet": 2.53, "novelty": 2.71, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 4.857, "fraction": 0.143}, "binding": {"pIC50": 6.11, "LE": 0.322, "potency_term": 0.37, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.486, "ld50-zhu": 0.685, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 4.857452925531121, "aff_pf": -0.11036034176747005, "aff_hs": 0.8131048480669657, "repeats_pf": {"runs": 3, "values": [-0.1277, -0.1356, -0.0678], "mean": -0.1104, "spread": 0.0678}, "repeats_hs": {"runs": 3, "values": [0.7554, 0.8608, 0.8231], "mean": 0.8131, "spread": 0.1055}, "at": 1787048835}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043910, "scored_at": 1787048835, "alerts": [], "rank": 4801}, {"candidate_id": "ODC-7CEA1B", "res_at": 1786842277, "skeleton": "FTTDXDYAWCOFJB", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 21.944, "axes": {"activity": 11.46, "binding": 3.88, "selectivity": 0.0, "admet": 2.68, "novelty": 2.29, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 5.58, "LE": 0.348, "potency_term": 0.194, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.194}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.45, "cyp3a4-substrate-carbonmangels": 0.139, "ld50-zhu": 0.439, "herg": 0.229, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.287520597004829, "aff_pf": 0.41747849186261493, "aff_hs": 0.215256467461586, "repeats_pf": {"runs": 3, "values": [0.3174, 0.2875, 0.6476], "mean": 0.4175, "spread": 0.3601}, "repeats_hs": {"runs": 3, "values": [0.2699, 0.0614, 0.3144], "mean": 0.2153, "spread": 0.253}, "at": 1786842277}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808490, "scored_at": 1786842277, "alerts": [], "rank": 4802}, {"candidate_id": "ODC-F4F4B5", "res_at": 1788975890, "skeleton": "YHFDBPXFUZNMBG", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········(F)c1", "total": 21.927, "axes": {"activity": 9.79, "binding": 5.42, "selectivity": 0.7, "admet": 2.15, "novelty": 2.23, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.326}, "binding": {"pIC50": 5.81, "LE": 0.346, "potency_term": 0.271, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.13, "target_engagement": 0.271}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.831, "ld50-zhu": 0.5, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 5.1876964891240265, "aff_pf": 0.18634494642416635, "aff_hs": 0.4455077399810155, "repeats_pf": {"runs": 3, "values": [0.2271, 0.1905, 0.1414], "mean": 0.1863, "spread": 0.0857}, "repeats_hs": {"runs": 3, "values": [0.154, 0.3345, 0.8481], "mean": 0.4455, "spread": 0.6941}, "at": 1788975890}, "tier": 1, "alerts": [], "total_sd": 0.539, "total_ci95": [21.033, 22.97], "relegate_reason": [], "submitted_at": 1788971677, "scored_at": 1788975890, "rank": 4803}, {"candidate_id": "ODC-2C3E4E", "res_at": 1786939814, "skeleton": "ZZDVGQINUACMEL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCNC··········F)CC1", "total": 21.924, "axes": {"activity": 12.82, "binding": 0.38, "selectivity": 0.02, "admet": 3.68, "novelty": 2.89, "synthesis": 2.14}, "detail": {"activity": {"pAct_q10": 5.369, "fraction": 0.427}, "binding": {"pIC50": 5.08, "LE": 0.205, "potency_term": 0.028, "efficiency_cap": 0.683}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.028}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.69, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.369372198743435, "aff_pf": 0.9171979824701945, "aff_hs": 0.9896188378334045, "repeats_pf": {"runs": 3, "values": [0.9262, 0.9227, 0.9027], "mean": 0.9172, "spread": 0.0235}, "repeats_hs": {"runs": 3, "values": [0.9288, 0.9619, 1.0781], "mean": 0.9896, "spread": 0.1493}, "at": 1786939814}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926711, "scored_at": 1786939814, "alerts": [], "rank": 4804}, {"candidate_id": "ODC-C34D1A", "res_at": 1787196600, "skeleton": "JAZDIVQJKRTODG", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 21.913, "axes": {"activity": 12.31, "binding": 3.25, "selectivity": 0.09, "admet": 2.36, "novelty": 1.93, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 5.49, "LE": 0.301, "potency_term": 0.162, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.027, "target_engagement": 0.162}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.446, "cyp3a4-substrate-carbonmangels": 0.151, "ld50-zhu": 0.356, "herg": 0.058, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.3383262299642995, "aff_pf": 0.5125588874022166, "aff_hs": 0.5673412481943766, "repeats_pf": {"runs": 3, "values": [0.5393, 0.5446, 0.4538], "mean": 0.5126, "spread": 0.0908}, "repeats_hs": {"runs": 3, "values": [0.5538, 0.559, 0.5893], "mean": 0.5673, "spread": 0.0355}, "at": 1787196600}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192443, "scored_at": 1787196600, "alerts": [], "rank": 4805}, {"candidate_id": "ODC-D21B19", "res_at": 1786845392, "skeleton": "ZRDUKCNGNFBWRZ", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "Cn1c(C(F)(F)F)nc2c(Nc3ccc(Br)c(F)c3)nc(CO)nc21", "smiles_masked": null, "total": 21.907, "axes": {"activity": 4.53, "binding": 8.0, "selectivity": 1.98, "admet": 2.77, "novelty": 2.84, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 4.872, "fraction": 0.151}, "binding": {"pIC50": 6.2, "LE": 0.34, "potency_term": 0.4, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.4}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.596, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.204, "ld50-zhu": 0.468, "herg": 0.182, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 4.872096263326997, "aff_pf": -0.19925203422705332, "aff_hs": 0.29518231749534607, "repeats_pf": {"runs": 3, "values": [-0.1622, -0.2532, -0.1823], "mean": -0.1993, "spread": 0.091}, "repeats_hs": {"runs": 3, "values": [0.3876, 0.2297, 0.2683], "mean": 0.2952, "spread": 0.158}, "at": 1786845392}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833062, "scored_at": 1786845392, "alerts": [], "rank": 4806}, {"candidate_id": "ODC-62C761", "res_at": 1788865241, "skeleton": "DFQFSPZJRXFCJF", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-08", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)n2n1", "total": 21.901, "axes": {"activity": 1.67, "binding": 9.7, "selectivity": 2.93, "admet": 2.91, "novelty": 2.47, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 4.7, "fraction": 0.056}, "binding": {"pIC50": 6.46, "LE": 0.368, "potency_term": 0.485, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.485}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.824, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.463, "herg": 0.415, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 4.700178706059187, "aff_pf": -0.4553709626197815, "aff_hs": 0.14944874588400126, "repeats_pf": {"runs": 3, "values": [-0.4429, -0.4523, -0.4709], "mean": -0.4554, "spread": 0.0279}, "repeats_hs": {"runs": 3, "values": [-0.0096, 0.2374, 0.2206], "mean": 0.1494, "spread": 0.247}, "at": 1788865241}, "tier": 1, "alerts": [], "total_sd": 0.354, "total_ci95": [21.187, 22.506], "relegate_reason": [], "submitted_at": 1788856840, "scored_at": 1788865241, "rank": 4807}, {"candidate_id": "ODC-38EEED", "res_at": 1789484049, "skeleton": "ILWGKOYRDXZKRO", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 21.886, "axes": {"activity": 9.05, "binding": 5.79, "selectivity": 2.3, "admet": 1.31, "novelty": 1.93, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 5.87, "LE": 0.309, "potency_term": 0.289, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.289}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.469, "ld50-zhu": 0.711, "herg": 0.05, "dili": 0.259}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "0", "pAct_q10": 5.142729865142814, "aff_pf": 0.13159100711345673, "aff_hs": 0.9252610603968302, "repeats_pf": {"runs": 3, "values": [0.0546, 0.1008, 0.2394], "mean": 0.1316, "spread": 0.1848}, "repeats_hs": {"runs": 3, "values": [0.7867, 0.9465, 1.0426], "mean": 0.9253, "spread": 0.2559}, "at": 1789484049}, "tier": 1, "alerts": [], "total_sd": 0.637, "total_ci95": [20.773, 23.06], "relegate_reason": [], "submitted_at": 1789483806, "scored_at": 1789484049, "rank": 4808}, {"candidate_id": "ODC-993FC3", "res_at": 1789122888, "skeleton": "SEGVNAIEAFHLAO", "hf_user": "Bio-JS", "display_name": "0911-S1-x_N_a", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 21.885, "axes": {"activity": 12.16, "binding": 2.3, "selectivity": 0.0, "admet": 3.44, "novelty": 2.22, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.405}, "binding": {"pIC50": 5.34, "LE": 0.305, "potency_term": 0.115, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.731, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.438, "herg": 0.556, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.329589336449804, "aff_pf": 0.6552584767341614, "aff_hs": 0.3448445995648702, "repeats_pf": {"runs": 3, "values": [0.6836, 0.5593, 0.7229], "mean": 0.6553, "spread": 0.1636}, "repeats_hs": {"runs": 3, "values": [0.3177, 0.3703, 0.3465], "mean": 0.3448, "spread": 0.0526}, "at": 1789122888}, "tier": 1, "alerts": [], "total_sd": 0.253, "total_ci95": [21.434, 22.525], "relegate_reason": [], "submitted_at": 1789117100, "scored_at": 1789122888, "rank": 4809}, {"candidate_id": "ODC-BF2681", "res_at": 1787160966, "skeleton": "KUHREINEYKKPAU", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 21.863, "axes": {"activity": 2.49, "binding": 8.83, "selectivity": 2.57, "admet": 3.14, "novelty": 2.62, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 4.749, "fraction": 0.083}, "binding": {"pIC50": 6.32, "LE": 0.361, "potency_term": 0.442, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.291, "target_engagement": 0.442}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.649, "ld50-zhu": 0.425, "herg": 0.678, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 4.749206668026213, "aff_pf": -0.32483206192652386, "aff_hs": 0.2581230749686559, "repeats_pf": {"runs": 3, "values": [-0.281, -0.4318, -0.2617], "mean": -0.3248, "spread": 0.1701}, "repeats_hs": {"runs": 3, "values": [0.1925, 0.2899, 0.2919], "mean": 0.2581, "spread": 0.0994}, "at": 1787160966}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151104, "scored_at": 1787160966, "alerts": [], "rank": 4810}, {"candidate_id": "ODC-2A2C41", "res_at": 1789435082, "skeleton": "DLFYRJXTONXRFI", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CNN(C)c··········nc2n1", "total": 21.854, "axes": {"activity": 12.39, "binding": 2.48, "selectivity": 0.61, "admet": 2.93, "novelty": 2.33, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.343, "fraction": 0.413}, "binding": {"pIC50": 5.46, "LE": 0.241, "potency_term": 0.154, "efficiency_cap": 0.805}, "selectivity": {"fold": 2.5, "selectivity_term": 0.196, "target_engagement": 0.154}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.832, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.948, "ld50-zhu": 0.715, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 4.12}}, "run": {"gpu": "0", "pAct_q10": 5.343447546120694, "aff_pf": 0.5379049082597097, "aff_hs": 0.9307039578755697, "repeats_pf": {"runs": 3, "values": [0.4578, 0.6081, 0.5478], "mean": 0.5379, "spread": 0.1504}, "repeats_hs": {"runs": 3, "values": [1.0572, 0.8223, 0.9127], "mean": 0.9307, "spread": 0.2349}, "at": 1789435082}, "tier": 1, "alerts": [], "total_sd": 0.343, "total_ci95": [21.281, 22.576], "relegate_reason": [], "submitted_at": 1789434893, "scored_at": 1789435082, "rank": 4811}, {"candidate_id": "ODC-D27003", "res_at": 1787437622, "skeleton": "DOFAWLMATQFWEX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 21.851, "axes": {"activity": 14.76, "binding": 0.18, "selectivity": 0.0, "admet": 2.28, "novelty": 2.71, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.485, "fraction": 0.492}, "binding": {"pIC50": 5.05, "LE": 0.177, "potency_term": 0.016, "efficiency_cap": 0.591}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.016}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 0.595, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.442, "herg": 0.163, "dili": 0.883}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.485492142848524, "aff_pf": 0.9532547990481058, "aff_hs": -0.19911670684814453, "repeats_pf": {"runs": 3, "values": [1.1402, 0.9002, 0.8194], "mean": 0.9533, "spread": 0.3207}, "repeats_hs": {"runs": 3, "values": [-0.172, -0.1303, -0.2951], "mean": -0.1991, "spread": 0.1648}, "at": 1787437622}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436351, "scored_at": 1787437622, "alerts": [], "rank": 4812}, {"candidate_id": "ODC-C65744", "res_at": 1789914756, "skeleton": "RZWJHIMTTBKMQZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 21.825, "axes": {"activity": 10.29, "binding": 4.94, "selectivity": 0.0, "admet": 3.02, "novelty": 2.38, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 5.95, "LE": 0.233, "potency_term": 0.318, "efficiency_cap": 0.777}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.318}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 0.985, "pgp-broccatelli": 0.232, "cyp2c9-veith": 0.579, "cyp3a4-substrate-carbonmangels": 0.185, "ld50-zhu": 1.0, "herg": 0.348, "dili": 0.528}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 5.217226262106282, "aff_pf": 0.045860265692075096, "aff_hs": 0.030201971530914307, "repeats_pf": {"runs": 3, "values": [0.0893, 0.0048, 0.0435], "mean": 0.0459, "spread": 0.0846}, "repeats_hs": {"runs": 3, "values": [0.2158, -0.0628, -0.0624], "mean": 0.0302, "spread": 0.2785}, "at": 1789914756}, "tier": 1, "alerts": [], "total_sd": 0.186, "total_ci95": [21.565, 22.34], "relegate_reason": [], "submitted_at": 1789863625, "scored_at": 1789914756, "rank": 4813}, {"candidate_id": "ODC-1A336F", "res_at": 1788642338, "skeleton": "OWKIMYNREBGHAP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········cc1Cl", "total": 21.823, "axes": {"activity": 12.88, "binding": 0.73, "selectivity": 0.0, "admet": 3.23, "novelty": 2.84, "synthesis": 2.15}, "detail": {"activity": {"pAct_q10": 5.373, "fraction": 0.429}, "binding": {"pIC50": 5.11, "LE": 0.318, "potency_term": 0.036, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.036}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.99, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.488, "cyp2c9-veith": 0.792, "cyp3a4-substrate-carbonmangels": 0.222, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 5.37282275464184, "aff_pf": 0.8905341625213623, "aff_hs": 0.7763422727584839, "repeats_pf": {"runs": 3, "values": [0.888, 1.0228, 0.7608], "mean": 0.8905, "spread": 0.262}, "repeats_hs": {"runs": 3, "values": [0.5546, 0.7563, 1.0181], "mean": 0.7763, "spread": 0.4634}, "at": 1788642338}, "tier": 1, "alerts": [], "total_sd": 0.459, "total_ci95": [21.241, 22.983], "relegate_reason": [], "submitted_at": 1788641603, "scored_at": 1788642338, "rank": 4814}, {"candidate_id": "ODC-AD4BEF", "res_at": 1789330677, "skeleton": "RMPRBEOEIGWGEF", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-07_DichloroMorph", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 21.821, "axes": {"activity": 8.69, "binding": 7.33, "selectivity": 0.0, "admet": 1.8, "novelty": 2.33, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.122, "fraction": 0.29}, "binding": {"pIC50": 6.1, "LE": 0.321, "potency_term": 0.367, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.354, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.409, "herg": 0.05, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.121557702731296, "aff_pf": -0.10001225272814433, "aff_hs": -0.4108860492706299, "repeats_pf": {"runs": 3, "values": [-0.3201, 0.2366, -0.2165], "mean": -0.1, "spread": 0.5568}, "repeats_hs": {"runs": 3, "values": [-0.4068, -0.4448, -0.3811], "mean": -0.4109, "spread": 0.0637}, "at": 1789330677}, "tier": 1, "alerts": [], "total_sd": 1.606, "total_ci95": [18.361, 24.447], "relegate_reason": [], "submitted_at": 1789321674, "scored_at": 1789330677, "rank": 4815}, {"candidate_id": "ODC-2078B4", "res_at": 1787650318, "skeleton": "HNQJQQFXHHKFAC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c([C··········C1CC1", "total": 21.801, "axes": {"activity": 10.48, "binding": 5.41, "selectivity": 0.63, "admet": 2.55, "novelty": 1.36, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 5.81, "LE": 0.318, "potency_term": 0.27, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.116, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.527, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.054, "dili": 0.509}}, "novelty": {"max_tanimoto": 0.609, "novelty": 0.391}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.228882031170908, "aff_pf": 0.18880831201871237, "aff_hs": 0.4207325279712677, "repeats_pf": {"runs": 3, "values": [0.2328, 0.1416, 0.192], "mean": 0.1888, "spread": 0.0912}, "repeats_hs": {"runs": 3, "values": [0.4545, 0.4938, 0.3139], "mean": 0.4207, "spread": 0.1799}, "at": 1787650318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643682, "scored_at": 1787650318, "alerts": [], "rank": 4816}, {"candidate_id": "ODC-76C1B7", "res_at": 1789409119, "skeleton": "BHLIXTUOIYDSHO", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 21.799, "axes": {"activity": 11.9, "binding": 2.99, "selectivity": 0.73, "admet": 2.8, "novelty": 2.22, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.397}, "binding": {"pIC50": 5.55, "LE": 0.245, "potency_term": 0.183, "efficiency_cap": 0.817}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.183}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.692, "cyp2c9-veith": 0.331, "cyp3a4-substrate-carbonmangels": 0.98, "ld50-zhu": 0.964, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "0", "pAct_q10": 5.31415523576718, "aff_pf": 0.4513447781403859, "aff_hs": 0.852384885152181, "repeats_pf": {"runs": 3, "values": [0.3936, 0.4565, 0.5039], "mean": 0.4513, "spread": 0.1103}, "repeats_hs": {"runs": 3, "values": [0.7668, 0.9923, 0.7981], "mean": 0.8524, "spread": 0.2255}, "at": 1789409119}, "tier": 1, "alerts": [], "total_sd": 0.275, "total_ci95": [21.341, 22.342], "relegate_reason": [], "submitted_at": 1789407648, "scored_at": 1789409119, "rank": 4817}, {"candidate_id": "ODC-0A03AC", "res_at": 1787367693, "skeleton": "BWRUCCZKHUSORC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 21.794, "axes": {"activity": 12.3, "binding": 1.48, "selectivity": 0.0, "admet": 3.55, "novelty": 3.08, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.338, "fraction": 0.41}, "binding": {"pIC50": 4.98, "LE": 0.235, "potency_term": 0.094, "efficiency_cap": 0.784}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.608, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.755, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.33772301828243, "aff_pf": 1.0240368048350017, "aff_hs": 0.612278680006663, "repeats_pf": {"runs": 3, "values": [1.0119, 1.051, 1.0092], "mean": 1.024, "spread": 0.0417}, "repeats_hs": {"runs": 3, "values": [0.6569, 0.5911, 0.5889], "mean": 0.6123, "spread": 0.0679}, "at": 1787367693}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364802, "scored_at": 1787367693, "alerts": [], "rank": 4818}, {"candidate_id": "ODC-5FAED2", "res_at": 1786858202, "skeleton": "DPERSZKSBSDURI", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 21.792, "axes": {"activity": 3.21, "binding": 10.07, "selectivity": 0.0, "admet": 3.12, "novelty": 3.21, "synthesis": 2.19}, "detail": {"activity": {"pAct_q10": 4.792, "fraction": 0.107}, "binding": {"pIC50": 6.51, "LE": 0.33, "potency_term": 0.504, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.504}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.468, "herg": 0.082, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 4.792315049173334, "aff_pf": -0.5110937058925629, "aff_hs": -0.6205114324887594, "repeats_pf": {"runs": 3, "values": [-0.4088, -0.5331, -0.5914], "mean": -0.5111, "spread": 0.1825}, "repeats_hs": {"runs": 3, "values": [-0.7015, -0.7104, -0.4497], "mean": -0.6205, "spread": 0.2607}, "at": 1786858202}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848322, "scored_at": 1786858202, "alerts": [], "rank": 4819}, {"candidate_id": "ODC-4382CE", "res_at": 1787892027, "skeleton": "NCAIOQHNQJUBKC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-09", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 21.79, "axes": {"activity": 11.63, "binding": 3.75, "selectivity": 0.0, "admet": 2.28, "novelty": 2.57, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 5.298, "fraction": 0.388}, "binding": {"pIC50": 5.69, "LE": 0.244, "potency_term": 0.231, "efficiency_cap": 0.812}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.231}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.585, "herg": 0.407, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 5.297975876293831, "aff_pf": 0.30736470222473145, "aff_hs": -0.17924785117308298, "repeats_pf": {"runs": 3, "values": [0.6768, -0.0032, 0.2485], "mean": 0.3074, "spread": 0.6801}, "repeats_hs": {"runs": 3, "values": [-0.1217, -0.2649, -0.1511], "mean": -0.1792, "spread": 0.1431}, "at": 1787892027}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841200, "scored_at": 1787892027, "alerts": [], "rank": 4820}, {"candidate_id": "ODC-555C9B", "res_at": 1789889842, "skeleton": "ODYREXXQUNBCHP", "hf_user": "Bio-JS", "display_name": "0918-S1-div05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········c1C#N", "total": 21.79, "axes": {"activity": 11.13, "binding": 4.41, "selectivity": 0.0, "admet": 2.87, "novelty": 1.83, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.268, "fraction": 0.371}, "binding": {"pIC50": 5.66, "LE": 0.31, "potency_term": 0.221, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.221}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.99, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.227, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "2", "pAct_q10": 5.268003256869939, "aff_pf": 0.3377930323282878, "aff_hs": 0.3369978864987691, "repeats_pf": {"runs": 3, "values": [0.3687, 0.3355, 0.3092], "mean": 0.3378, "spread": 0.0595}, "repeats_hs": {"runs": 3, "values": [0.3321, 0.2771, 0.4018], "mean": 0.337, "spread": 0.1247}, "at": 1789889842}, "tier": 1, "alerts": [], "total_sd": 0.113, "total_ci95": [21.605, 22.045], "relegate_reason": [], "submitted_at": 1789687018, "scored_at": 1789889842, "rank": 4821}, {"candidate_id": "ODC-5FB838", "res_at": 1786952819, "skeleton": "KTLSDKZJKHJZFG", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-03", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1c(··········F)cc1", "total": 21.772, "axes": {"activity": 13.61, "binding": 0.57, "selectivity": 0.0, "admet": 2.74, "novelty": 2.65, "synthesis": 2.2}, "detail": {"activity": {"pAct_q10": 5.417, "fraction": 0.454}, "binding": {"pIC50": 4.54, "LE": 0.27, "potency_term": 0.032, "efficiency_cap": 0.902}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.482, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.416510517102093, "aff_pf": 1.4590201775232952, "aff_hs": 1.31109623114268, "repeats_pf": {"runs": 3, "values": [1.3433, 1.5063, 1.5275], "mean": 1.459, "spread": 0.1842}, "repeats_hs": {"runs": 3, "values": [1.4252, 1.3412, 1.1669], "mean": 1.3111, "spread": 0.2584}, "at": 1786952819}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949071, "scored_at": 1786952819, "alerts": [], "rank": 4822}, {"candidate_id": "ODC-0963F1", "res_at": 1788830411, "skeleton": "WJSSWYMWPKCWAC", "hf_user": "daehan1123", "display_name": "Hanguri-GPT-2", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········2)no1", "total": 21.753, "axes": {"activity": 7.65, "binding": 6.94, "selectivity": 0.0, "admet": 3.25, "novelty": 2.2, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.059, "fraction": 0.255}, "binding": {"pIC50": 6.04, "LE": 0.376, "potency_term": 0.347, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.347}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.832, "cyp3a4-substrate-carbonmangels": 0.387, "ld50-zhu": 0.492, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.058905912994729, "aff_pf": -0.04146301125486692, "aff_hs": -0.4850817720095317, "repeats_pf": {"runs": 3, "values": [-0.1077, 0.0021, -0.0189], "mean": -0.0415, "spread": 0.1098}, "repeats_hs": {"runs": 3, "values": [-0.5378, -0.4411, -0.4763], "mean": -0.4851, "spread": 0.0967}, "at": 1788830411}, "tier": 1, "alerts": [], "total_sd": 0.401, "total_ci95": [21.163, 22.65], "relegate_reason": [], "submitted_at": 1788828218, "scored_at": 1788830411, "rank": 4823}, {"candidate_id": "ODC-CD4145", "res_at": 1786939427, "skeleton": "NOBUOEGMBPPGAI", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)CC··········F)CC1", "total": 21.751, "axes": {"activity": 12.51, "binding": 0.37, "selectivity": 0.0, "admet": 3.98, "novelty": 2.81, "synthesis": 2.08}, "detail": {"activity": {"pAct_q10": 5.35, "fraction": 0.417}, "binding": {"pIC50": 4.53, "LE": 0.177, "potency_term": 0.031, "efficiency_cap": 0.591}, "selectivity": {"fold": 1.3, "selectivity_term": 0.062, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.636, "per_endpoint": {"solubility-aqsoldb": 0.799, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.753, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "2", "pAct_q10": 5.3504297047681035, "aff_pf": 1.4672625064849854, "aff_hs": 1.590499758720398, "repeats_pf": {"runs": 3, "values": [1.4325, 1.7054, 1.2638], "mean": 1.4673, "spread": 0.4416}, "repeats_hs": {"runs": 3, "values": [1.5764, 1.5758, 1.6193], "mean": 1.5905, "spread": 0.0435}, "at": 1786939427}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926698, "scored_at": 1786939427, "alerts": [], "rank": 4824}, {"candidate_id": "ODC-89209A", "res_at": 1786783632, "skeleton": "XTYUJPLLVYJSEQ", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(opus 5.0)", "mw_band": "350-400", "visibility": "public", "smiles": "Cn1c([C@](C)(O)c2ccc(F)c(Cl)c2)nc2cn(C3CC3)c(=O)cc21", "smiles_masked": null, "total": 21.742, "axes": {"activity": 3.53, "binding": 9.08, "selectivity": 1.77, "admet": 3.12, "novelty": 2.58, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 4.812, "fraction": 0.118}, "binding": {"pIC50": 6.36, "LE": 0.349, "potency_term": 0.454, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.578, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.361, "herg": 0.197, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.432, "novelty": 0.568}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 4.811671937804514, "aff_pf": -0.361297607421875, "aff_hs": 0.029325316349665325, "repeats_pf": {"runs": 3, "values": [-0.3599, -0.3765, -0.3475], "mean": -0.3613, "spread": 0.0291}, "repeats_hs": {"runs": 3, "values": [0.1527, 0.0716, -0.1363], "mean": 0.0293, "spread": 0.289}, "at": 1786783632}, "tier": 1, "relegate_reason": [], "submitted_at": 1786780038, "scored_at": 1786783632, "alerts": [], "rank": 4825}, {"candidate_id": "ODC-658B6A", "res_at": 1789610986, "skeleton": "OSIBENXLSBCNJT", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 21.708, "axes": {"activity": 11.6, "binding": 3.8, "selectivity": 0.25, "admet": 2.46, "novelty": 2.65, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 5.296, "fraction": 0.387}, "binding": {"pIC50": 5.72, "LE": 0.237, "potency_term": 0.24, "efficiency_cap": 0.792}, "selectivity": {"fold": 1.3, "selectivity_term": 0.053, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.115, "hia-hou": 0.918, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "0", "pAct_q10": 5.2958872480706844, "aff_pf": 0.2792682747046153, "aff_hs": 0.38469550013542175, "repeats_pf": {"runs": 3, "values": [0.2312, 0.3898, 0.2168], "mean": 0.2793, "spread": 0.1731}, "repeats_hs": {"runs": 3, "values": [0.3843, 0.3734, 0.3963], "mean": 0.3847, "spread": 0.0229}, "at": 1789610986}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [20.809, 22.268], "relegate_reason": [], "submitted_at": 1789609933, "scored_at": 1789610986, "rank": 4826}, {"candidate_id": "ODC-186225", "res_at": 1787177484, "skeleton": "LDTZWDDLIWSNMS", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1cc2[nH]cnc2c(F)c1-c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1", "smiles_masked": null, "total": 21.702, "axes": {"activity": 11.4, "binding": 4.44, "selectivity": 0.21, "admet": 1.54, "novelty": 2.27, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.284, "fraction": 0.38}, "binding": {"pIC50": 5.93, "LE": 0.214, "potency_term": 0.311, "efficiency_cap": 0.713}, "selectivity": {"fold": 1.2, "selectivity_term": 0.033, "target_engagement": 0.311}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.692, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.283867328288798, "aff_pf": 0.0657499333222707, "aff_hs": 0.13214618215958276, "repeats_pf": {"runs": 3, "values": [0.1278, 0.0733, -0.0039], "mean": 0.0657, "spread": 0.1317}, "repeats_hs": {"runs": 3, "values": [0.1273, 0.1553, 0.1138], "mean": 0.1321, "spread": 0.0415}, "at": 1787177484}, "tier": 1, "relegate_reason": [], "submitted_at": 1787172297, "scored_at": 1787177484, "alerts": [], "rank": 4827}, {"candidate_id": "ODC-61B473", "res_at": 1787176728, "skeleton": "TZVQUEDZNBTKIJ", "hf_user": "1Dmeds", "display_name": "ODC26-FN-27", "model_name": "Claude Opus 5 series sentinel", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 21.692, "axes": {"activity": 11.31, "binding": 4.32, "selectivity": 0.0, "admet": 1.71, "novelty": 2.53, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 5.83, "LE": 0.235, "potency_term": 0.276, "efficiency_cap": 0.783}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.958, "herg": 0.05, "dili": 0.334}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.278737597917235, "aff_pf": 0.17238634886840978, "aff_hs": -0.0979002242287, "repeats_pf": {"runs": 3, "values": [0.0965, 0.0161, 0.4045], "mean": 0.1724, "spread": 0.3884}, "repeats_hs": {"runs": 3, "values": [-0.2098, -0.2003, 0.1164], "mean": -0.0979, "spread": 0.3262}, "at": 1787176728}, "tier": 1, "relegate_reason": [], "submitted_at": 1787171847, "scored_at": 1787176728, "alerts": [], "rank": 4828}, {"candidate_id": "ODC-D1B40D", "res_at": 1789900129, "skeleton": "XEEGSCGXNXYGDP", "hf_user": "Bio-JS", "display_name": "0918-S1-div07", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cc1", "total": 21.687, "axes": {"activity": 11.11, "binding": 3.8, "selectivity": 0.49, "admet": 2.4, "novelty": 2.21, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.266, "fraction": 0.37}, "binding": {"pIC50": 5.57, "LE": 0.318, "potency_term": 0.19, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.129, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.315, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.436, "ld50-zhu": 0.359, "herg": 0.138, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 5.266362083570055, "aff_pf": 0.43033673365910846, "aff_hs": 0.6887919902801514, "repeats_pf": {"runs": 3, "values": [0.5386, 0.4454, 0.307], "mean": 0.4303, "spread": 0.2316}, "repeats_hs": {"runs": 3, "values": [0.7333, 0.6789, 0.6542], "mean": 0.6888, "spread": 0.0791}, "at": 1789900129}, "tier": 1, "alerts": [], "total_sd": 0.525, "total_ci95": [20.774, 22.901], "relegate_reason": [], "submitted_at": 1789687024, "scored_at": 1789900129, "rank": 4829}, {"candidate_id": "ODC-A4AC2C", "res_at": 1789953788, "skeleton": "TXQQYFMVEOAJRD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 21.667, "axes": {"activity": 11.0, "binding": 3.94, "selectivity": 0.0, "admet": 2.58, "novelty": 2.6, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.26, "fraction": 0.367}, "binding": {"pIC50": 5.76, "LE": 0.232, "potency_term": 0.255, "efficiency_cap": 0.774}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.255}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 0.919, "pgp-broccatelli": 0.112, "cyp2c9-veith": 0.649, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.259995493136087, "aff_pf": 0.2363116219639778, "aff_hs": 0.06584254900614421, "repeats_pf": {"runs": 3, "values": [0.5249, 0.0604, 0.1237], "mean": 0.2363, "spread": 0.4645}, "repeats_hs": {"runs": 3, "values": [-0.0658, 0.0334, 0.2299], "mean": 0.0658, "spread": 0.2956}, "at": 1789953788}, "tier": 1, "alerts": [], "total_sd": 0.726, "total_ci95": [20.055, 22.848], "relegate_reason": [], "submitted_at": 1789863619, "scored_at": 1789953788, "rank": 4830}, {"candidate_id": "ODC-866922", "res_at": 1787385224, "skeleton": "AKLLYZFQABWNTD", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5 M9-2", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)c1C", "total": 21.665, "axes": {"activity": 9.84, "binding": 5.57, "selectivity": 1.13, "admet": 2.44, "novelty": 1.05, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 5.84, "LE": 0.333, "potency_term": 0.278, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.203, "target_engagement": 0.278}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.095, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.492, "herg": 0.117, "dili": 0.87}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 5.1901993731132405, "aff_pf": 0.16471220552921295, "aff_hs": 0.5699900984764099, "repeats_pf": {"runs": 3, "values": [0.1989, 0.2429, 0.0524], "mean": 0.1647, "spread": 0.1905}, "repeats_hs": {"runs": 3, "values": [0.5208, 0.663, 0.5262], "mean": 0.57, "spread": 0.1423}, "at": 1787385224}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383303, "scored_at": 1787385224, "alerts": [], "rank": 4831}, {"candidate_id": "ODC-F0266F", "res_at": 1787471488, "skeleton": "AYPXHPMHNPMQLQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········2)nn1", "total": 21.663, "axes": {"activity": 3.42, "binding": 8.65, "selectivity": 1.52, "admet": 3.21, "novelty": 3.11, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 4.805, "fraction": 0.114}, "binding": {"pIC50": 6.3, "LE": 0.359, "potency_term": 0.432, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.176, "target_engagement": 0.432}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.571, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.725, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.261, "herg": 0.142, "dili": 0.362}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 4.805305718891174, "aff_pf": -0.29735565185546875, "aff_hs": 0.054311846693356834, "repeats_pf": {"runs": 3, "values": [-0.26, -0.2886, -0.3435], "mean": -0.2974, "spread": 0.0835}, "repeats_hs": {"runs": 3, "values": [0.1491, 0.1257, -0.1118], "mean": 0.0543, "spread": 0.2609}, "at": 1787471488}, "tier": 1, "relegate_reason": [], "submitted_at": 1787470928, "scored_at": 1787471488, "alerts": [], "rank": 4832}, {"candidate_id": "ODC-B4E33B", "res_at": 1786961695, "skeleton": "PDCWZGUPZTYVRF", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········C1CC1", "total": 21.656, "axes": {"activity": 9.72, "binding": 6.18, "selectivity": 0.0, "admet": 2.27, "novelty": 2.07, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 5.93, "LE": 0.312, "potency_term": 0.309, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.969, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.873, "herg": 0.19, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.183307666896932, "aff_pf": 0.07225926717122395, "aff_hs": 0.0696804126103719, "repeats_pf": {"runs": 3, "values": [0.0389, 0.1021, 0.0757], "mean": 0.0723, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [-0.0164, 0.0088, 0.2167], "mean": 0.0697, "spread": 0.2331}, "at": 1786961695}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959847, "scored_at": 1786961695, "alerts": [], "rank": 4833}, {"candidate_id": "ODC-789F56", "res_at": 1788458325, "skeleton": "FCYFDSIYOJMHFF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COC(=O)··········(F)c1", "total": 21.644, "axes": {"activity": 12.03, "binding": 3.57, "selectivity": 0.0, "admet": 1.75, "novelty": 2.78, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 5.79, "LE": 0.203, "potency_term": 0.263, "efficiency_cap": 0.678}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.263}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.07, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.832, "herg": 0.05, "dili": 0.232}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.321558771904485, "aff_pf": 0.2095241645971934, "aff_hs": -0.16467174887657166, "repeats_pf": {"runs": 3, "values": [0.4145, 0.4828, -0.2687], "mean": 0.2095, "spread": 0.7514}, "repeats_hs": {"runs": 3, "values": [-0.1375, -0.2153, -0.1412], "mean": -0.1647, "spread": 0.0778}, "at": 1788458325}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 1.045, "total_ci95": [20.298, 24.719], "relegate_reason": [], "submitted_at": 1788394192, "scored_at": 1788458325, "rank": 4834}, {"candidate_id": "ODC-EB76E4", "res_at": 1787280379, "skeleton": "HFZBFMBNAUAOLN", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 21.615, "axes": {"activity": 13.27, "binding": 1.74, "selectivity": 0.64, "admet": 2.74, "novelty": 1.69, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.396, "fraction": 0.442}, "binding": {"pIC50": 5.31, "LE": 0.251, "potency_term": 0.104, "efficiency_cap": 0.837}, "selectivity": {"fold": 4.2, "selectivity_term": 0.31, "target_engagement": 0.104}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.701, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.634, "herg": 0.05, "dili": 0.735}}, "novelty": {"max_tanimoto": 0.618, "novelty": 0.382}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.396032565080507, "aff_pf": 0.6878475944201151, "aff_hs": 1.307309667269389, "repeats_pf": {"runs": 3, "values": [0.6591, 0.7264, 0.678], "mean": 0.6878, "spread": 0.0674}, "repeats_hs": {"runs": 3, "values": [1.2628, 1.3485, 1.3107], "mean": 1.3073, "spread": 0.0857}, "at": 1787280379}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276180, "scored_at": 1787280379, "alerts": [], "rank": 4835}, {"candidate_id": "ODC-6B9A7D", "res_at": 1787236922, "skeleton": "YLRJXFGBAULALB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 21.61, "axes": {"activity": 12.92, "binding": 2.27, "selectivity": 0.0, "admet": 1.6, "novelty": 2.94, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.375, "fraction": 0.431}, "binding": {"pIC50": 5.49, "LE": 0.209, "potency_term": 0.163, "efficiency_cap": 0.696}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.248, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.411, "ld50-zhu": 0.511, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.375146423942312, "aff_pf": 0.511072168747584, "aff_hs": 0.4480585952599843, "repeats_pf": {"runs": 3, "values": [0.461, 0.654, 0.4183], "mean": 0.5111, "spread": 0.2357}, "repeats_hs": {"runs": 3, "values": [0.4742, 0.44, 0.43], "mean": 0.4481, "spread": 0.0442}, "at": 1787236922}, "tier": 1, "relegate_reason": [], "submitted_at": 1787233799, "scored_at": 1787236922, "alerts": [], "rank": 4836}, {"candidate_id": "ODC-51BC5E", "res_at": 1787589037, "skeleton": "IWNDHOQOKNQCAR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)s1", "total": 21.607, "axes": {"activity": 10.9, "binding": 3.76, "selectivity": 0.0, "admet": 2.88, "novelty": 2.66, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.254, "fraction": 0.363}, "binding": {"pIC50": 5.56, "LE": 0.305, "potency_term": 0.188, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.413, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.639}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.254012803412322, "aff_pf": 0.4356738130251567, "aff_hs": 0.37562841176986694, "repeats_pf": {"runs": 3, "values": [0.4644, 0.396, 0.4467], "mean": 0.4357, "spread": 0.0684}, "repeats_hs": {"runs": 3, "values": [0.3834, 0.3684, 0.3751], "mean": 0.3756, "spread": 0.015}, "at": 1787589037}, "tier": 1, "relegate_reason": [], "submitted_at": 1787587765, "scored_at": 1787589037, "alerts": [], "rank": 4837}, {"candidate_id": "ODC-405617", "res_at": 1786930156, "skeleton": "SMHXPUSTLNFHCU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 21.597, "axes": {"activity": 13.27, "binding": 1.57, "selectivity": 0.0, "admet": 2.19, "novelty": 2.35, "synthesis": 2.21}, "detail": {"activity": {"pAct_q10": 5.396, "fraction": 0.442}, "binding": {"pIC50": 5.32, "LE": 0.221, "potency_term": 0.106, "efficiency_cap": 0.736}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.106}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.376, "herg": 0.05, "dili": 0.76}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "2", "pAct_q10": 5.396408103888902, "aff_pf": 0.6809223890304565, "aff_hs": 0.5590418676535288, "repeats_pf": {"runs": 3, "values": [0.6682, 0.7723, 0.6022], "mean": 0.6809, "spread": 0.1701}, "repeats_hs": {"runs": 3, "values": [0.8325, 0.1218, 0.7228], "mean": 0.559, "spread": 0.7107}, "at": 1786930156}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924566, "scored_at": 1786930156, "alerts": [], "rank": 4838}, {"candidate_id": "ODC-926F71", "res_at": 1787287386, "skeleton": "JBGOVKXOIFMFMN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 21.587, "axes": {"activity": 9.35, "binding": 5.43, "selectivity": 0.73, "admet": 2.66, "novelty": 2.31, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.161, "fraction": 0.312}, "binding": {"pIC50": 5.81, "LE": 0.306, "potency_term": 0.272, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.272}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.522, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.160891348259498, "aff_pf": 0.18512269854545593, "aff_hs": 0.4535702665646871, "repeats_pf": {"runs": 3, "values": [0.3039, 0.3329, -0.0814], "mean": 0.1851, "spread": 0.4143}, "repeats_hs": {"runs": 3, "values": [0.3947, 0.5861, 0.3799], "mean": 0.4536, "spread": 0.2062}, "at": 1787287386}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286684, "scored_at": 1787287386, "alerts": [], "rank": 4839}, {"candidate_id": "ODC-20EE04", "res_at": 1789122112, "skeleton": "XCOZQTHRRNLKQM", "hf_user": "Bio-JS", "display_name": "0911-S1-x_COC_a", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 21.587, "axes": {"activity": 10.44, "binding": 5.82, "selectivity": 0.17, "admet": 2.06, "novelty": 1.58, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.226, "fraction": 0.348}, "binding": {"pIC50": 5.87, "LE": 0.309, "potency_term": 0.291, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.291}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.533, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.2263704904222, "aff_pf": 0.1264796182513237, "aff_hs": 0.18592574695746103, "repeats_pf": {"runs": 3, "values": [0.2025, 0.1251, 0.0518], "mean": 0.1265, "spread": 0.1507}, "repeats_hs": {"runs": 3, "values": [0.2497, 0.1783, 0.1297], "mean": 0.1859, "spread": 0.12}, "at": 1789122112}, "tier": 1, "alerts": [], "total_sd": 0.32, "total_ci95": [20.927, 22.21], "relegate_reason": [], "submitted_at": 1789117082, "scored_at": 1789122112, "rank": 4840}, {"candidate_id": "ODC-53BE75", "res_at": 1787079588, "skeleton": "HKHFIMUYAYCPME", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)nn1", "total": 21.585, "axes": {"activity": 12.69, "binding": 0.71, "selectivity": 0.0, "admet": 3.68, "novelty": 3.22, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.361, "fraction": 0.423}, "binding": {"pIC50": 5.12, "LE": 0.26, "potency_term": 0.041, "efficiency_cap": 0.867}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.041}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.952, "cyp3a4-substrate-carbonmangels": 0.084, "ld50-zhu": 0.7, "herg": 0.064, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "2", "pAct_q10": 5.361468247784299, "aff_pf": 0.8763461510340372, "aff_hs": 0.7712515592575073, "repeats_pf": {"runs": 3, "values": [0.7425, 0.8547, 1.0319], "mean": 0.8763, "spread": 0.2894}, "repeats_hs": {"runs": 3, "values": [0.7908, 0.7017, 0.8213], "mean": 0.7713, "spread": 0.1196}, "at": 1787079588}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068676, "scored_at": 1787079588, "alerts": [], "rank": 4841}, {"candidate_id": "ODC-CDDB81", "res_at": 1787194789, "skeleton": "GXMAANRCUYYGAX", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 21.584, "axes": {"activity": 11.52, "binding": 2.4, "selectivity": 0.0, "admet": 3.47, "novelty": 2.77, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.291, "fraction": 0.384}, "binding": {"pIC50": 5.38, "LE": 0.284, "potency_term": 0.127, "efficiency_cap": 0.945}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.127}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 0.893, "pgp-broccatelli": 0.951, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.111, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 5.291486272528607, "aff_pf": 0.6194667816162109, "aff_hs": 0.5365279614925385, "repeats_pf": {"runs": 3, "values": [0.4967, 0.6312, 0.7304], "mean": 0.6195, "spread": 0.2337}, "repeats_hs": {"runs": 3, "values": [0.4783, 0.6589, 0.4725], "mean": 0.5365, "spread": 0.1864}, "at": 1787194789}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192131, "scored_at": 1787194789, "alerts": [], "rank": 4842}, {"candidate_id": "ODC-4B815E", "res_at": 1787016617, "skeleton": "YWLZUALJXNKDCN", "hf_user": "ipsych", "display_name": "RCX-MeSEt-azabiaryl", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 21.562, "axes": {"activity": 11.57, "binding": 3.58, "selectivity": 0.0, "admet": 1.94, "novelty": 2.87, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.386}, "binding": {"pIC50": 5.72, "LE": 0.224, "potency_term": 0.24, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 0.829, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.525, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.97, "herg": 0.05, "dili": 0.524}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.2940937975548605, "aff_pf": 0.2806688149770101, "aff_hs": -0.016387435297171276, "repeats_pf": {"runs": 3, "values": [0.2503, 0.3642, 0.2274], "mean": 0.2807, "spread": 0.1368}, "repeats_hs": {"runs": 3, "values": [-0.0472, 0.0236, -0.0255], "mean": -0.0164, "spread": 0.0708}, "at": 1787016617}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016264, "scored_at": 1787016617, "alerts": [], "rank": 4843}, {"candidate_id": "ODC-40A466", "res_at": 1787023749, "skeleton": "NPPIUBLBVSPZBE", "hf_user": "takutoyo", "display_name": "PfD5-B6", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········(F)c1", "total": 21.558, "axes": {"activity": 12.87, "binding": 1.42, "selectivity": 0.0, "admet": 2.27, "novelty": 2.89, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.372, "fraction": 0.429}, "binding": {"pIC50": 5.27, "LE": 0.24, "potency_term": 0.089, "efficiency_cap": 0.802}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.498, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "2", "pAct_q10": 5.372472085626718, "aff_pf": 0.734043021996816, "aff_hs": 0.6716519594192505, "repeats_pf": {"runs": 3, "values": [0.984, 0.7636, 0.4545], "mean": 0.734, "spread": 0.5296}, "repeats_hs": {"runs": 3, "values": [0.7461, 0.5467, 0.7222], "mean": 0.6717, "spread": 0.1994}, "at": 1787023749}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023132, "scored_at": 1787023749, "alerts": [], "rank": 4844}, {"candidate_id": "ODC-120275", "res_at": 1787025307, "skeleton": "MHORQZUWCYUERW", "hf_user": "araai", "display_name": "aiara", "model_name": "Ara-β", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 21.556, "axes": {"activity": 11.53, "binding": 2.61, "selectivity": 0.0, "admet": 3.04, "novelty": 2.63, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.292, "fraction": 0.384}, "binding": {"pIC50": 5.53, "LE": 0.223, "potency_term": 0.176, "efficiency_cap": 0.742}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.67, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.876, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.29179322096969, "aff_pf": 0.47288058201471966, "aff_hs": 0.38206633428732556, "repeats_pf": {"runs": 3, "values": [0.635, 0.3264, 0.4572], "mean": 0.4729, "spread": 0.3086}, "repeats_hs": {"runs": 3, "values": [0.2918, 0.2142, 0.6402], "mean": 0.3821, "spread": 0.426}, "at": 1787025307}, "tier": 1, "relegate_reason": [], "submitted_at": 1787024093, "scored_at": 1787025307, "alerts": [], "rank": 4845}, {"candidate_id": "ODC-258E24", "res_at": 1787894111, "skeleton": "UFXGBVIIAQMZHV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-27", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········F)CC1", "total": 21.555, "axes": {"activity": 11.42, "binding": 3.72, "selectivity": 0.0, "admet": 2.21, "novelty": 2.71, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.381}, "binding": {"pIC50": 5.67, "LE": 0.251, "potency_term": 0.223, "efficiency_cap": 0.835}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.285137524760988, "aff_pf": 0.3316369354724884, "aff_hs": -0.27285484472910565, "repeats_pf": {"runs": 3, "values": [0.1454, 0.4341, 0.4153], "mean": 0.3316, "spread": 0.2887}, "repeats_hs": {"runs": 3, "values": [-0.2433, -0.2635, -0.3118], "mean": -0.2729, "spread": 0.0684}, "at": 1787894111}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841481, "scored_at": 1787894111, "alerts": [], "rank": 4846}, {"candidate_id": "ODC-04BE9D", "res_at": 1786955262, "skeleton": "RRLZDSWWRMNRCW", "hf_user": "takutoyo", "display_name": "PfD2-A4", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········F)nc1", "total": 21.546, "axes": {"activity": 11.17, "binding": 4.43, "selectivity": 0.63, "admet": 2.24, "novelty": 1.56, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.27, "fraction": 0.372}, "binding": {"pIC50": 5.82, "LE": 0.242, "potency_term": 0.275, "efficiency_cap": 0.806}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.275}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.782, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.909, "herg": 0.05, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.58, "novelty": 0.42}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.270079071176865, "aff_pf": 0.1751511593659719, "aff_hs": 0.40294108788172406, "repeats_pf": {"runs": 3, "values": [0.1591, 0.1872, 0.1791], "mean": 0.1752, "spread": 0.0281}, "repeats_hs": {"runs": 3, "values": [0.4586, 0.3526, 0.3977], "mean": 0.4029, "spread": 0.106}, "at": 1786955262}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950161, "scored_at": 1786955262, "alerts": [], "rank": 4847}, {"candidate_id": "ODC-A5B263", "res_at": 1787437231, "skeleton": "RXTNFXGXKICSLZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCN··········)CCC1", "total": 21.539, "axes": {"activity": 12.77, "binding": 0.84, "selectivity": 0.0, "admet": 3.91, "novelty": 2.47, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.426}, "binding": {"pIC50": 4.81, "LE": 0.206, "potency_term": 0.062, "efficiency_cap": 0.686}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.748, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.577, "ld50-zhu": 0.389, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 5.366493159274953, "aff_pf": 1.1940271059672039, "aff_hs": 1.2132431467374165, "repeats_pf": {"runs": 3, "values": [1.2695, 1.1845, 1.1281], "mean": 1.194, "spread": 0.1413}, "repeats_hs": {"runs": 3, "values": [1.162, 0.9087, 1.569], "mean": 1.2132, "spread": 0.6603}, "at": 1787437231}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436332, "scored_at": 1787437231, "alerts": [], "rank": 4848}, {"candidate_id": "ODC-24F001", "res_at": 1788616567, "skeleton": "CLZDKOFTEWHVAS", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········)n2n1", "total": 21.536, "axes": {"activity": 12.33, "binding": 3.22, "selectivity": 0.21, "admet": 1.97, "novelty": 2.22, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 5.57, "LE": 0.254, "potency_term": 0.19, "efficiency_cap": 0.848}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.739, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.582, "herg": 0.053, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "0", "pAct_q10": 5.339980625203996, "aff_pf": 0.4295555154482524, "aff_hs": 0.5423954327901205, "repeats_pf": {"runs": 3, "values": [0.4009, 0.4278, 0.46], "mean": 0.4296, "spread": 0.0592}, "repeats_hs": {"runs": 3, "values": [0.5192, 0.5348, 0.5732], "mean": 0.5424, "spread": 0.0541}, "at": 1788616567}, "tier": 1, "alerts": [], "total_sd": 0.119, "total_ci95": [21.281, 21.784], "relegate_reason": [], "submitted_at": 1788583799, "scored_at": 1788616567, "rank": 4849}, {"candidate_id": "ODC-7612FE", "res_at": 1787892946, "skeleton": "UXHDESLWVATLOC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-21", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 21.533, "axes": {"activity": 10.93, "binding": 5.05, "selectivity": 0.0, "admet": 1.96, "novelty": 2.07, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.364}, "binding": {"pIC50": 5.87, "LE": 0.26, "potency_term": 0.292, "efficiency_cap": 0.865}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.292}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.528, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.2556651516779125, "aff_pf": 0.12524701158205667, "aff_hs": 0.02056586742401123, "repeats_pf": {"runs": 3, "values": [0.009, 0.2561, 0.1107], "mean": 0.1252, "spread": 0.2471}, "repeats_hs": {"runs": 3, "values": [0.1064, -0.2007, 0.156], "mean": 0.0206, "spread": 0.3567}, "at": 1787892946}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841319, "scored_at": 1787892946, "alerts": [], "rank": 4850}, {"candidate_id": "ODC-FE3098", "res_at": 1786939622, "skeleton": "WNRSJEYSHIYKHG", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCNC··········F)CC1", "total": 21.502, "axes": {"activity": 12.63, "binding": 0.27, "selectivity": 0.0, "admet": 3.68, "novelty": 2.83, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.358, "fraction": 0.421}, "binding": {"pIC50": 4.39, "LE": 0.182, "potency_term": 0.022, "efficiency_cap": 0.608}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.633, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.766}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "2", "pAct_q10": 5.3575135265180265, "aff_pf": 1.6073911587397258, "aff_hs": 1.2715563376744587, "repeats_pf": {"runs": 3, "values": [1.6339, 1.4715, 1.7168], "mean": 1.6074, "spread": 0.2452}, "repeats_hs": {"runs": 3, "values": [1.3175, 1.522, 0.9752], "mean": 1.2716, "spread": 0.5468}, "at": 1786939622}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926704, "scored_at": 1786939622, "alerts": [], "rank": 4851}, {"candidate_id": "ODC-7284C7", "res_at": 1787279057, "skeleton": "YIHDUKBSRXQMSD", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 21.487, "axes": {"activity": 11.73, "binding": 3.28, "selectivity": 0.44, "admet": 2.62, "novelty": 2.06, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.304, "fraction": 0.391}, "binding": {"pIC50": 5.49, "LE": 0.301, "potency_term": 0.164, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.164}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.689, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.566, "herg": 0.225, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.304016312661733, "aff_pf": 0.5079198578993479, "aff_hs": 0.7751915454864502, "repeats_pf": {"runs": 3, "values": [0.5795, 0.4019, 0.5423], "mean": 0.5079, "spread": 0.1776}, "repeats_hs": {"runs": 3, "values": [0.7518, 0.759, 0.8148], "mean": 0.7752, "spread": 0.063}, "at": 1787279057}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276125, "scored_at": 1787279057, "alerts": [], "rank": 4852}, {"candidate_id": "ODC-A88079", "res_at": 1787231632, "skeleton": "AFOVOYRODSYDMK", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········C1CC1", "total": 21.478, "axes": {"activity": 11.15, "binding": 3.13, "selectivity": 0.76, "admet": 4.05, "novelty": 0.61, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.269, "fraction": 0.372}, "binding": {"pIC50": 5.47, "LE": 0.326, "potency_term": 0.157, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.242, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.726, "per_endpoint": {"solubility-aqsoldb": 0.579, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.702, "cyp3a4-substrate-carbonmangels": 0.576, "ld50-zhu": 0.613, "herg": 0.796, "dili": 0.316}}, "novelty": {"max_tanimoto": 0.836, "novelty": 0.164}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.269154017968521, "aff_pf": 0.530254473288854, "aff_hs": 1.013262391090393, "repeats_pf": {"runs": 3, "values": [0.4333, 0.4577, 0.6997], "mean": 0.5303, "spread": 0.2664}, "repeats_hs": {"runs": 3, "values": [1.1053, 1.0793, 0.8552], "mean": 1.0133, "spread": 0.2501}, "at": 1787231632}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231450, "scored_at": 1787231632, "alerts": [], "rank": 4853}, {"candidate_id": "ODC-E953B0", "res_at": 1788464554, "skeleton": "JOMKXVYAEOFACX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CO/N=C(··········2)CC1", "total": 21.467, "axes": {"activity": 12.73, "binding": 1.63, "selectivity": 0.0, "admet": 2.49, "novelty": 2.96, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.364, "fraction": 0.424}, "binding": {"pIC50": 5.38, "LE": 0.194, "potency_term": 0.126, "efficiency_cap": 0.646}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.126}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.551, "hia-hou": 0.977, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 5.363957522954238, "aff_pf": 0.6210050582885742, "aff_hs": 0.33413080374399823, "repeats_pf": {"runs": 3, "values": [0.6329, 0.6255, 0.6046], "mean": 0.621, "spread": 0.0282}, "repeats_hs": {"runs": 3, "values": [0.2588, 0.5838, 0.1598], "mean": 0.3341, "spread": 0.424}, "at": 1788464554}, "tier": 1, "alerts": [], "total_sd": 0.032, "total_ci95": [21.412, 21.543], "relegate_reason": [], "submitted_at": 1788394289, "scored_at": 1788464554, "rank": 4854}, {"candidate_id": "ODC-CDF8D7", "res_at": 1788912231, "skeleton": "ZHTSVPHAHMBHMD", "hf_user": "Bio-JS", "display_name": "0909-S1-29", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 21.457, "axes": {"activity": 5.51, "binding": 6.85, "selectivity": 3.12, "admet": 2.84, "novelty": 1.65, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 4.931, "fraction": 0.184}, "binding": {"pIC50": 6.03, "LE": 0.359, "potency_term": 0.343, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.1, "selectivity_term": 0.455, "target_engagement": 0.343}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.94, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.877, "cyp3a4-substrate-carbonmangels": 0.222, "ld50-zhu": 0.308, "herg": 0.93, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.518, "novelty": 0.482}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 4.930691327638633, "aff_pf": -0.02786029813190301, "aff_hs": 0.8816736340522766, "repeats_pf": {"runs": 3, "values": [-0.0636, 0.0136, -0.0336], "mean": -0.0279, "spread": 0.0772}, "repeats_hs": {"runs": 3, "values": [0.8665, 0.881, 0.8976], "mean": 0.8817, "spread": 0.0311}, "at": 1788912231}, "tier": 1, "alerts": [], "total_sd": 0.357, "total_ci95": [20.694, 22.121], "relegate_reason": [], "submitted_at": 1788902932, "scored_at": 1788912231, "rank": 4855}, {"candidate_id": "ODC-958309", "res_at": 1787352991, "skeleton": "OTOMHSSWWFPTMP", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 21.453, "axes": {"activity": 10.83, "binding": 4.19, "selectivity": 0.95, "admet": 1.86, "novelty": 2.33, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.25, "fraction": 0.361}, "binding": {"pIC50": 5.83, "LE": 0.228, "potency_term": 0.276, "efficiency_cap": 0.76}, "selectivity": {"fold": 2.2, "selectivity_term": 0.172, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.307, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.249667318735545, "aff_pf": 0.17278275390466055, "aff_hs": 0.5177128066619238, "repeats_pf": {"runs": 3, "values": [0.0166, -0.1, 0.6018], "mean": 0.1728, "spread": 0.7018}, "repeats_hs": {"runs": 3, "values": [0.7916, -0.2419, 1.0035], "mean": 0.5177, "spread": 1.2454}, "at": 1787352991}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347769, "scored_at": 1787352991, "alerts": [], "rank": 4856}, {"candidate_id": "ODC-0CA0B6", "res_at": 1788818910, "skeleton": "UBTLHBANPGNXET", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(I··········cc1Cl", "total": 21.412, "axes": {"activity": 11.93, "binding": 1.57, "selectivity": 0.38, "admet": 3.06, "novelty": 2.57, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.316, "fraction": 0.398}, "binding": {"pIC50": 5.24, "LE": 0.326, "potency_term": 0.079, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.243, "target_engagement": 0.079}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.724, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.835, "ld50-zhu": 0.302, "herg": 0.05, "dili": 0.469}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.3157591975485925, "aff_pf": 0.7643726269404093, "aff_hs": 1.2512986660003662, "repeats_pf": {"runs": 3, "values": [0.72, 0.7376, 0.8355], "mean": 0.7644, "spread": 0.1156}, "repeats_hs": {"runs": 3, "values": [1.2369, 1.2683, 1.2486], "mean": 1.2513, "spread": 0.0314}, "at": 1788818910}, "tier": 1, "alerts": [], "total_sd": 0.265, "total_ci95": [20.787, 21.827], "relegate_reason": [], "submitted_at": 1788782399, "scored_at": 1788818910, "rank": 4857}, {"candidate_id": "ODC-929B81", "res_at": 1789120547, "skeleton": "LUYAIZPSEFRWGV", "hf_user": "Bio-JS", "display_name": "0911-S1-2pos_N", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 21.411, "axes": {"activity": 10.32, "binding": 4.48, "selectivity": 0.0, "admet": 3.04, "novelty": 2.12, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 5.67, "LE": 0.338, "potency_term": 0.224, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.224}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.817, "cyp3a4-substrate-carbonmangels": 0.68, "ld50-zhu": 0.432, "herg": 0.71, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.219116174762697, "aff_pf": 0.32816548148790997, "aff_hs": 0.3163670301437378, "repeats_pf": {"runs": 3, "values": [0.3698, 0.3423, 0.2723], "mean": 0.3282, "spread": 0.0975}, "repeats_hs": {"runs": 3, "values": [0.3293, 0.313, 0.3068], "mean": 0.3164, "spread": 0.0225}, "at": 1789120547}, "tier": 1, "alerts": [], "total_sd": 0.18, "total_ci95": [21.134, 21.882], "relegate_reason": [], "submitted_at": 1789117048, "scored_at": 1789120547, "rank": 4858}, {"candidate_id": "ODC-CA425B", "res_at": 1787233368, "skeleton": "VWCMAKJEZCFUHA", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 21.394, "axes": {"activity": 13.35, "binding": 1.1, "selectivity": 0.0, "admet": 1.83, "novelty": 3.01, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.401, "fraction": 0.445}, "binding": {"pIC50": 4.95, "LE": 0.188, "potency_term": 0.088, "efficiency_cap": 0.628}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.400990113675005, "aff_pf": 1.051977237065633, "aff_hs": 0.8256950378417969, "repeats_pf": {"runs": 3, "values": [1.1391, 0.8015, 1.2153], "mean": 1.052, "spread": 0.4137}, "repeats_hs": {"runs": 3, "values": [0.8788, 0.8165, 0.7819], "mean": 0.8257, "spread": 0.0969}, "at": 1787233368}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231930, "scored_at": 1787233368, "alerts": [], "rank": 4859}, {"candidate_id": "ODC-C61578", "res_at": 1786956600, "skeleton": "CTOIEIKSEUPCJT", "hf_user": "amadeus0710", "display_name": "frederic", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········c2n1C", "total": 21.389, "axes": {"activity": 9.79, "binding": 6.44, "selectivity": 0.0, "admet": 2.3, "novelty": 1.41, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.326}, "binding": {"pIC50": 5.97, "LE": 0.314, "potency_term": 0.322, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.322}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.601, "cyp3a4-substrate-carbonmangels": 0.61, "ld50-zhu": 0.361, "herg": 0.077, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.187692999641312, "aff_pf": 0.03423860917488734, "aff_hs": -0.11253421505292256, "repeats_pf": {"runs": 3, "values": [0.0367, -0.0008, 0.0669], "mean": 0.0342, "spread": 0.0677}, "repeats_hs": {"runs": 3, "values": [-0.064, -0.1108, -0.1627], "mean": -0.1125, "spread": 0.0987}, "at": 1786956600}, "tier": 1, "relegate_reason": [], "submitted_at": 1786954247, "scored_at": 1786956600, "alerts": [], "rank": 4860}, {"candidate_id": "ODC-66F710", "res_at": 1787096871, "skeleton": "UXJDQFREBPYTSX", "hf_user": "Ku-ku", "display_name": "A13_2cPent", "model_name": "triazolo-2pos-bulk", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 21.386, "axes": {"activity": 13.74, "binding": 1.79, "selectivity": 0.0, "admet": 1.84, "novelty": 1.85, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.424, "fraction": 0.458}, "binding": {"pIC50": 5.3, "LE": 0.269, "potency_term": 0.1, "efficiency_cap": 0.896}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.1}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.675, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.118, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.051, "ld50-zhu": 0.698, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.424300926110441, "aff_pf": 0.7000334660212199, "aff_hs": 0.5711918075879415, "repeats_pf": {"runs": 3, "values": [0.7479, 0.7003, 0.652], "mean": 0.7, "spread": 0.0959}, "repeats_hs": {"runs": 3, "values": [0.712, 0.4816, 0.52], "mean": 0.5712, "spread": 0.2304}, "at": 1787096871}, "tier": 1, "relegate_reason": [], "submitted_at": 1787096671, "scored_at": 1787096871, "alerts": [], "rank": 4861}, {"candidate_id": "ODC-692729", "res_at": 1787618964, "skeleton": "PFTRMSBXEDQSJR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 21.384, "axes": {"activity": 11.31, "binding": 3.1, "selectivity": 1.01, "admet": 1.93, "novelty": 2.41, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 5.53, "LE": 0.261, "potency_term": 0.178, "efficiency_cap": 0.871}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.178}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.466, "herg": 0.05, "dili": 0.358}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.27884595423533, "aff_pf": 0.4667815566062927, "aff_hs": 1.03262859582901, "repeats_pf": {"runs": 3, "values": [0.6263, 0.4285, 0.3455], "mean": 0.4668, "spread": 0.2808}, "repeats_hs": {"runs": 3, "values": [1.0741, 0.9762, 1.0476], "mean": 1.0326, "spread": 0.098}, "at": 1787618964}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618236, "scored_at": 1787618964, "alerts": [], "rank": 4862}, {"candidate_id": "ODC-E98364", "res_at": 1786754473, "skeleton": "DMINPGHXWIRHHS", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "300-350", "visibility": "public", "smiles": "COc1ccc2nc(Nc3ccc(C(F)(F)F)cn3)sc2c1", "smiles_masked": null, "total": 21.38, "axes": {"activity": 10.82, "binding": 2.76, "selectivity": 1.25, "admet": 2.89, "novelty": 1.86, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.361}, "binding": {"pIC50": 5.41, "LE": 0.337, "potency_term": 0.138, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.983, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.93, "cyp2c9-veith": 0.47, "cyp3a4-substrate-carbonmangels": 0.733, "ld50-zhu": 0.401, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.483, "novelty": 0.517}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "3", "pAct_q10": 5.248981339489518, "aff_pf": 0.58592689037323, "aff_hs": 1.4896469116210938, "at": 1786754473}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786754473, "alerts": [], "rank": 4863}, {"candidate_id": "ODC-FB3AAB", "res_at": 1787276383, "skeleton": "MRKIEGPZZCDRNS", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 21.376, "axes": {"activity": 12.13, "binding": 2.89, "selectivity": 0.0, "admet": 2.65, "novelty": 2.36, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.328, "fraction": 0.404}, "binding": {"pIC50": 5.47, "LE": 0.277, "potency_term": 0.156, "efficiency_cap": 0.925}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.546, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.245, "cyp3a4-substrate-carbonmangels": 0.14, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.416, "novelty": 0.584}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 5.3275823439353625, "aff_pf": 0.5313394765059153, "aff_hs": 0.4510350823402405, "repeats_pf": {"runs": 3, "values": [0.6333, 0.4647, 0.496], "mean": 0.5313, "spread": 0.1686}, "repeats_hs": {"runs": 3, "values": [0.3456, 0.426, 0.5816], "mean": 0.451, "spread": 0.236}, "at": 1787276383}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276012, "scored_at": 1787276383, "alerts": [], "rank": 4864}, {"candidate_id": "ODC-8AC876", "res_at": 1789917390, "skeleton": "FQMCSPLZVTZSLG", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 21.364, "axes": {"activity": 13.96, "binding": 0.57, "selectivity": 0.0, "admet": 3.52, "novelty": 1.3, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.438, "fraction": 0.465}, "binding": {"pIC50": 4.57, "LE": 0.251, "potency_term": 0.034, "efficiency_cap": 0.835}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.663, "cyp3a4-substrate-carbonmangels": 0.552, "ld50-zhu": 0.282, "herg": 0.313, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 5.4376354230790716, "aff_pf": 1.4283073743184407, "aff_hs": 0.9497806628545126, "repeats_pf": {"runs": 3, "values": [1.5393, 1.4788, 1.2668], "mean": 1.4283, "spread": 0.2724}, "repeats_hs": {"runs": 3, "values": [0.9176, 0.8814, 1.0503], "mean": 0.9498, "spread": 0.1688}, "at": 1789917390}, "tier": 1, "alerts": [], "total_sd": 0.119, "total_ci95": [21.215, 21.679], "relegate_reason": [], "submitted_at": 1789907054, "scored_at": 1789917390, "rank": 4865}, {"candidate_id": "ODC-DC53F8", "res_at": 1788861841, "skeleton": "OZPFSDFVBWSWOZ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-25", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 21.355, "axes": {"activity": 1.93, "binding": 8.66, "selectivity": 1.93, "admet": 3.72, "novelty": 3.02, "synthesis": 2.11}, "detail": {"activity": {"pAct_q10": 4.716, "fraction": 0.064}, "binding": {"pIC50": 6.3, "LE": 0.411, "potency_term": 0.433, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.433}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.398, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.721, "cyp3a4-substrate-carbonmangels": 0.246, "ld50-zhu": 0.422, "herg": 0.951, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 4.715508791017635, "aff_pf": -0.2984397013982137, "aff_hs": 0.1465302457412084, "repeats_pf": {"runs": 3, "values": [-0.2684, -0.2933, -0.3336], "mean": -0.2984, "spread": 0.0652}, "repeats_hs": {"runs": 3, "values": [0.1392, 0.1665, 0.1338], "mean": 0.1465, "spread": 0.0327}, "at": 1788861841}, "tier": 1, "alerts": [], "total_sd": 0.296, "total_ci95": [20.891, 22.037], "relegate_reason": [], "submitted_at": 1788856638, "scored_at": 1788861841, "rank": 4866}, {"candidate_id": "ODC-32D007", "res_at": 1786801529, "skeleton": "MPJYLZZEVBLEAA", "hf_user": "DOATC", "display_name": "Do/KATA/SD", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 21.354, "axes": {"activity": 8.78, "binding": 7.31, "selectivity": 0.0, "admet": 2.32, "novelty": 1.46, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.127, "fraction": 0.293}, "binding": {"pIC50": 6.1, "LE": 0.334, "potency_term": 0.365, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.365}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.281, "caco2-wang": 0.582, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.92, "cyp2c9-veith": 0.427, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.617, "herg": 0.172, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 5.126551323654631, "aff_pf": -0.09635922809441884, "aff_hs": -0.17437513172626495, "repeats_pf": {"runs": 3, "values": [-0.1215, -0.0853, -0.0823], "mean": -0.0964, "spread": 0.0391}, "repeats_hs": {"runs": 3, "values": [-0.1903, -0.073, -0.2598], "mean": -0.1744, "spread": 0.1868}, "at": 1786801529}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785754, "scored_at": 1786801529, "alerts": [], "rank": 4867}, {"candidate_id": "ODC-A84804", "res_at": 1788632769, "skeleton": "FSACHWZYLWWHMZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········cc1Cl", "total": 21.351, "axes": {"activity": 12.01, "binding": 1.69, "selectivity": 0.0, "admet": 3.2, "novelty": 2.46, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 4.99, "LE": 0.263, "potency_term": 0.096, "efficiency_cap": 0.876}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.408, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 5.320577545689897, "aff_pf": 1.0148603320121765, "aff_hs": 1.464497685432434, "repeats_pf": {"runs": 3, "values": [0.9832, 1.1855, 0.8759], "mean": 1.0149, "spread": 0.3097}, "repeats_hs": {"runs": 3, "values": [1.4882, 1.4454, 1.4599], "mean": 1.4645, "spread": 0.0428}, "at": 1788632769}, "tier": 1, "alerts": [], "total_sd": 0.556, "total_ci95": [19.789, 21.35], "relegate_reason": [], "submitted_at": 1788632083, "scored_at": 1788632769, "rank": 4868}, {"candidate_id": "ODC-AE12A7", "res_at": 1787086124, "skeleton": "IQCYXXGNQUVXFV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Clc1cc(··········nc2n1", "total": 21.345, "axes": {"activity": 10.36, "binding": 4.38, "selectivity": 1.5, "admet": 1.26, "novelty": 2.16, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.345}, "binding": {"pIC50": 5.79, "LE": 0.248, "potency_term": 0.265, "efficiency_cap": 0.827}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.244, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.068, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.794, "ld50-zhu": 0.378, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.221640296193182, "aff_pf": 0.20600195974111557, "aff_hs": 0.7728321353594462, "repeats_pf": {"runs": 3, "values": [0.4223, 0.1353, 0.0604], "mean": 0.206, "spread": 0.3619}, "repeats_hs": {"runs": 3, "values": [0.8501, 0.6986, 0.7698], "mean": 0.7728, "spread": 0.1515}, "at": 1787086124}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074188, "scored_at": 1787086124, "alerts": [], "rank": 4869}, {"candidate_id": "ODC-118F73", "res_at": 1786884532, "skeleton": "CWHINUKOPZUIDJ", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas Drug Agent", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········c2n1C", "total": 21.344, "axes": {"activity": 4.38, "binding": 8.03, "selectivity": 2.77, "admet": 2.12, "novelty": 2.64, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 4.863, "fraction": 0.146}, "binding": {"pIC50": 6.2, "LE": 0.315, "potency_term": 0.401, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.344, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.392, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.491, "herg": 0.05, "dili": 0.211}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "2", "pAct_q10": 4.862726703102643, "aff_pf": -0.20438208679358164, "aff_hs": 0.484544704357783, "repeats_pf": {"runs": 3, "values": [-0.1609, -0.2282, -0.2241], "mean": -0.2044, "spread": 0.0673}, "repeats_hs": {"runs": 3, "values": [0.4454, 0.499, 0.5093], "mean": 0.4845, "spread": 0.0639}, "at": 1786884532}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877788, "scored_at": 1786884532, "alerts": [], "rank": 4870}, {"candidate_id": "ODC-0E2E3E", "res_at": 1786968853, "skeleton": "ZRQOKNDHJCXNMC", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 21.336, "axes": {"activity": 11.08, "binding": 5.64, "selectivity": 0.06, "admet": 2.32, "novelty": 1.09, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.369}, "binding": {"pIC50": 5.96, "LE": 0.264, "potency_term": 0.321, "efficiency_cap": 0.878}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.321}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.74, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.289, "cyp2c9-veith": 0.54, "cyp3a4-substrate-carbonmangels": 0.083, "ld50-zhu": 0.893, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.704, "novelty": 0.296}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "3", "pAct_q10": 5.264891577345233, "aff_pf": 0.037134905656178795, "aff_hs": 0.057039608558019005, "repeats_pf": {"runs": 3, "values": [0.148, -0.0865, 0.0499], "mean": 0.0371, "spread": 0.2344}, "repeats_hs": {"runs": 3, "values": [-0.0077, 0.0692, 0.1096], "mean": 0.057, "spread": 0.1173}, "at": 1786968853}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968453, "scored_at": 1786968853, "alerts": [], "rank": 4871}, {"candidate_id": "ODC-E0038E", "res_at": 1787143081, "skeleton": "WQQKDMYAYLYJLV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 21.331, "axes": {"activity": 3.48, "binding": 8.51, "selectivity": 2.21, "admet": 4.15, "novelty": 1.3, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 4.809, "fraction": 0.116}, "binding": {"pIC50": 6.28, "LE": 0.374, "potency_term": 0.426, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.259, "target_engagement": 0.426}, "admet": {"geometric_mean": 0.649, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.969, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.855, "cyp2c9-veith": 0.462, "cyp3a4-substrate-carbonmangels": 0.644, "ld50-zhu": 0.754, "herg": 0.862, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.696, "novelty": 0.304}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 4.808708271773483, "aff_pf": -0.27675822873910266, "aff_hs": 0.24146688977877298, "repeats_pf": {"runs": 3, "values": [-0.2476, -0.3045, -0.2781], "mean": -0.2768, "spread": 0.0569}, "repeats_hs": {"runs": 3, "values": [0.2341, 0.2273, 0.263], "mean": 0.2415, "spread": 0.0357}, "at": 1787143081}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142744, "scored_at": 1787143081, "alerts": [], "rank": 4872}, {"candidate_id": "ODC-15D744", "res_at": 1786988459, "skeleton": "LGGINSZQTVBEQM", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········(F)c1", "total": 21.318, "axes": {"activity": 12.17, "binding": 0.39, "selectivity": 0.0, "admet": 4.32, "novelty": 2.58, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.33, "fraction": 0.406}, "binding": {"pIC50": 4.4, "LE": 0.262, "potency_term": 0.022, "efficiency_cap": 0.874}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.709, "per_endpoint": {"solubility-aqsoldb": 0.741, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.55, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "2", "pAct_q10": 5.330201276532302, "aff_pf": 1.5982120831807454, "aff_hs": 1.657878319422404, "repeats_pf": {"runs": 3, "values": [1.6027, 1.6335, 1.5584], "mean": 1.5982, "spread": 0.075}, "repeats_hs": {"runs": 3, "values": [1.749, 1.5504, 1.6742], "mean": 1.6579, "spread": 0.1987}, "at": 1786988459}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984504, "scored_at": 1786988459, "alerts": [], "rank": 4873}, {"candidate_id": "ODC-1A06A1", "res_at": 1789038202, "skeleton": "QDOYRUBXBHREAH", "hf_user": "1Dmeds", "display_name": "ODC26-CHEMBL217951", "model_name": "1Dmeds", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(B··········cc2c1", "total": 21.299, "axes": {"activity": 2.45, "binding": 7.97, "selectivity": 4.27, "admet": 2.33, "novelty": 2.29, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 4.519, "fraction": 0.082}, "binding": {"pIC50": 6.2, "LE": 0.404, "potency_term": 0.399, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.8, "selectivity_term": 0.535, "target_engagement": 0.399}, "admet": {"geometric_mean": 0.39, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.955, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.453, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.239, "herg": 0.67, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 1.6}}, "run": {"gpu": "0", "pAct_q10": 4.519023389905136, "aff_pf": -0.19566203157107034, "aff_hs": 0.8751533230145773, "repeats_pf": {"runs": 3, "values": [-0.2224, -0.1235, -0.2411], "mean": -0.1957, "spread": 0.1176}, "repeats_hs": {"runs": 3, "values": [0.9938, 0.9317, 0.7], "mean": 0.8752, "spread": 0.2939}, "at": 1789038202}, "tier": 1, "alerts": [], "total_sd": 0.707, "total_ci95": [19.892, 22.482], "relegate_reason": [], "submitted_at": 1789036635, "scored_at": 1789038202, "rank": 4874}, {"candidate_id": "ODC-962B9A", "res_at": 1787374882, "skeleton": "DEERMYFABUDSSX", "hf_user": "1Dmeds", "display_name": "ODC26-G03", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 21.292, "axes": {"activity": 11.49, "binding": 3.18, "selectivity": 0.62, "admet": 1.53, "novelty": 2.67, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.289, "fraction": 0.383}, "binding": {"pIC50": 5.58, "LE": 0.247, "potency_term": 0.193, "efficiency_cap": 0.822}, "selectivity": {"fold": 2.1, "selectivity_term": 0.16, "target_engagement": 0.193}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.807, "herg": 0.05, "dili": 0.309}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.289224056806821, "aff_pf": 0.4201420247554779, "aff_hs": 0.7395975589752197, "repeats_pf": {"runs": 3, "values": [0.4475, 0.4485, 0.3644], "mean": 0.4201, "spread": 0.0841}, "repeats_hs": {"runs": 3, "values": [0.8141, 0.6786, 0.7261], "mean": 0.7396, "spread": 0.1355}, "at": 1787374882}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372655, "scored_at": 1787374882, "alerts": [], "rank": 4875}, {"candidate_id": "ODC-9B081E", "res_at": 1786869075, "skeleton": "CIZZYSVKUBNCTN", "hf_user": "1Dmeds", "display_name": "ODC26-R3-R2V-03", "model_name": "OpenAI GPT-5.6 Luna + Terra red-team", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 21.279, "axes": {"activity": 8.35, "binding": 6.76, "selectivity": 1.27, "admet": 1.93, "novelty": 1.62, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 6.01, "LE": 0.305, "potency_term": 0.338, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.187, "target_engagement": 0.338}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.585, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.211, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.388, "herg": 0.05, "dili": 0.359}}, "novelty": {"max_tanimoto": 0.522, "novelty": 0.478}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.100932207672214, "aff_pf": -0.014536542197068533, "aff_hs": 0.3603363235791524, "repeats_pf": {"runs": 3, "values": [-0.0885, -0.0331, 0.078], "mean": -0.0145, "spread": 0.1664}, "repeats_hs": {"runs": 3, "values": [0.3567, 0.3168, 0.4075], "mean": 0.3603, "spread": 0.0908}, "at": 1786869075}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863671, "scored_at": 1786869075, "alerts": [], "rank": 4876}, {"candidate_id": "ODC-9B637A", "res_at": 1788788351, "skeleton": "CANBEHJTLYDEJZ", "hf_user": "Bio-JS", "display_name": "0907-S1-06", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)cc1", "total": 21.26, "axes": {"activity": 6.13, "binding": 6.31, "selectivity": 3.99, "admet": 1.4, "novelty": 1.9, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 4.968, "fraction": 0.204}, "binding": {"pIC50": 6.06, "LE": 0.268, "potency_term": 0.354, "efficiency_cap": 0.893}, "selectivity": {"fold": 13.4, "selectivity_term": 0.564, "target_engagement": 0.354}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.163, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 4.967775739088688, "aff_pf": -0.06084113319714864, "aff_hs": 1.0665006438891094, "repeats_pf": {"runs": 3, "values": [-0.313, -0.3609, 0.4914], "mean": -0.0608, "spread": 0.8523}, "repeats_hs": {"runs": 3, "values": [0.9869, 1.077, 1.1356], "mean": 1.0665, "spread": 0.1487}, "at": 1788788351}, "tier": 1, "alerts": [], "total_sd": 4.499, "total_ci95": [13.014, 27.557], "relegate_reason": [], "submitted_at": 1788707674, "scored_at": 1788788351, "rank": 4877}, {"candidate_id": "ODC-EAADF7", "res_at": 1787048791, "skeleton": "CEXSVMVTXQEAFG", "hf_user": "redcrono", "display_name": "Lukecage", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 21.258, "axes": {"activity": 10.35, "binding": 4.91, "selectivity": 0.0, "admet": 2.12, "novelty": 2.24, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.221, "fraction": 0.345}, "binding": {"pIC50": 5.76, "LE": 0.292, "potency_term": 0.252, "efficiency_cap": 0.974}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.252}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.844, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.291, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 5.22119586627979, "aff_pf": 0.24298425018787384, "aff_hs": -0.31156125664711, "repeats_pf": {"runs": 3, "values": [0.3128, 0.0744, 0.3417], "mean": 0.243, "spread": 0.2674}, "repeats_hs": {"runs": 3, "values": [-0.3419, -0.3373, -0.2555], "mean": -0.3116, "spread": 0.0864}, "at": 1787048791}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044618, "scored_at": 1787048791, "alerts": [], "rank": 4878}, {"candidate_id": "ODC-8DC430", "res_at": 1787901050, "skeleton": "IPHYKRWUZOWTNF", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········(C)n1", "total": 21.253, "axes": {"activity": 10.48, "binding": 3.94, "selectivity": 0.46, "admet": 2.46, "novelty": 2.63, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 5.8, "LE": 0.221, "potency_term": 0.268, "efficiency_cap": 0.736}, "selectivity": {"fold": 1.5, "selectivity_term": 0.085, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.859, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.796, "herg": 0.577, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.248, "novelty": 0.752}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.2288670724586845, "aff_pf": 0.19637876252333322, "aff_hs": 0.36727245648701984, "repeats_pf": {"runs": 3, "values": [0.4519, 0.0214, 0.1159], "mean": 0.1964, "spread": 0.4305}, "repeats_hs": {"runs": 3, "values": [0.5366, 0.2733, 0.2919], "mean": 0.3673, "spread": 0.2633}, "at": 1787901050}, "tier": 1, "relegate_reason": [], "submitted_at": 1787876688, "scored_at": 1787901050, "alerts": [], "rank": 4879}, {"candidate_id": "ODC-E99685", "res_at": 1787127326, "skeleton": "XGTYLRFVMNFXKV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········C2)n1", "total": 21.247, "axes": {"activity": 12.45, "binding": 1.64, "selectivity": 0.0, "admet": 2.96, "novelty": 2.98, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.347, "fraction": 0.415}, "binding": {"pIC50": 5.28, "LE": 0.268, "potency_term": 0.092, "efficiency_cap": 0.892}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.092}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.505, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.774, "herg": 0.05, "dili": 0.351}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "3", "pAct_q10": 5.347100200604403, "aff_pf": 0.7242921789487203, "aff_hs": 0.5679807265599569, "repeats_pf": {"runs": 3, "values": [0.6952, 0.8212, 0.6564], "mean": 0.7243, "spread": 0.1648}, "repeats_hs": {"runs": 3, "values": [0.5796, 0.5515, 0.5729], "mean": 0.568, "spread": 0.0281}, "at": 1787127326}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108457, "scored_at": 1787127326, "alerts": [], "rank": 4880}, {"candidate_id": "ODC-B9BBC4", "res_at": 1786916555, "skeleton": "KSUUOBSNGJGBHZ", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········C2)C1", "total": 21.227, "axes": {"activity": 9.91, "binding": 4.89, "selectivity": 0.04, "admet": 2.73, "novelty": 2.49, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 5.75, "LE": 0.292, "potency_term": 0.251, "efficiency_cap": 0.973}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.673, "ld50-zhu": 0.599, "herg": 0.05, "dili": 0.655}}, "novelty": {"max_tanimoto": 0.246, "novelty": 0.754}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "3", "pAct_q10": 5.194766947416134, "aff_pf": 0.2462347000837326, "aff_hs": 0.2626268615325292, "repeats_pf": {"runs": 3, "values": [0.2118, 0.4511, 0.0758], "mean": 0.2462, "spread": 0.3753}, "repeats_hs": {"runs": 3, "values": [0.3813, 0.348, 0.0586], "mean": 0.2626, "spread": 0.3227}, "at": 1786916555}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915626, "scored_at": 1786916555, "alerts": [], "rank": 4881}, {"candidate_id": "ODC-5698AB", "res_at": 1787276763, "skeleton": "SUKFASDDZWMPPF", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCC[C@@··········cnc12", "total": 21.195, "axes": {"activity": 11.18, "binding": 4.27, "selectivity": 0.0, "admet": 2.4, "novelty": 2.11, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 5.67, "LE": 0.288, "potency_term": 0.223, "efficiency_cap": 0.959}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.595, "herg": 0.09, "dili": 0.08}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.2706727450807245, "aff_pf": 0.33138008912404376, "aff_hs": 0.240966926018397, "repeats_pf": {"runs": 3, "values": [0.2926, 0.3584, 0.3431], "mean": 0.3314, "spread": 0.0659}, "repeats_hs": {"runs": 3, "values": [0.2402, 0.2396, 0.243], "mean": 0.241, "spread": 0.0034}, "at": 1787276763}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276030, "scored_at": 1787276763, "alerts": [], "rank": 4882}, {"candidate_id": "ODC-9105C4", "res_at": 1787049302, "skeleton": "GDJTVCFXPCVUKM", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········32)s1", "total": 21.183, "axes": {"activity": 8.91, "binding": 5.19, "selectivity": 3.31, "admet": 1.0, "novelty": 1.28, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 5.85, "LE": 0.276, "potency_term": 0.282, "efficiency_cap": 0.921}, "selectivity": {"fold": 14.9, "selectivity_term": 0.587, "target_engagement": 0.282}, "admet": {"geometric_mean": 0.225, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 0.957, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.846, "ld50-zhu": 0.247, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "2", "pAct_q10": 5.134886928694742, "aff_pf": 0.1542397936185201, "aff_hs": 1.3278474410374959, "repeats_pf": {"runs": 3, "values": [0.0934, 0.2094, 0.1599], "mean": 0.1542, "spread": 0.116}, "repeats_hs": {"runs": 3, "values": [1.0562, 1.3332, 1.5941], "mean": 1.3278, "spread": 0.5378}, "at": 1787049302}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044907, "scored_at": 1787049302, "alerts": [], "rank": 4883}, {"candidate_id": "ODC-AF6A67", "res_at": 1787286815, "skeleton": "MFOPCIPRCXTQFO", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········cc1Cl", "total": 21.177, "axes": {"activity": 10.52, "binding": 4.03, "selectivity": 0.0, "admet": 2.77, "novelty": 2.53, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 5.6, "LE": 0.307, "potency_term": 0.201, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.708, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.231168319941754, "aff_pf": 0.3956623176733653, "aff_hs": 0.34623393913110095, "repeats_pf": {"runs": 3, "values": [0.3941, 0.4009, 0.392], "mean": 0.3957, "spread": 0.009}, "repeats_hs": {"runs": 3, "values": [0.2131, 0.2485, 0.5772], "mean": 0.3462, "spread": 0.3641}, "at": 1787286815}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286083, "scored_at": 1787286815, "alerts": [], "rank": 4884}, {"candidate_id": "ODC-599E63", "res_at": 1789498114, "skeleton": "KBRQELKLUQZNOT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "OC(Cn1c··········F)c1F", "total": 21.169, "axes": {"activity": 9.12, "binding": 6.68, "selectivity": 0.0, "admet": 1.55, "novelty": 2.42, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.147, "fraction": 0.304}, "binding": {"pIC50": 6.2, "LE": 0.25, "potency_term": 0.401, "efficiency_cap": 0.833}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.401}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.575, "hia-hou": 0.926, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.091, "ld50-zhu": 0.604, "herg": 0.05, "dili": 0.196}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 5.147203071827257, "aff_pf": -0.2033983419338862, "aff_hs": -0.4794905185699463, "repeats_pf": {"runs": 3, "values": [-0.1696, -0.3667, -0.0739], "mean": -0.2034, "spread": 0.2928}, "repeats_hs": {"runs": 3, "values": [-0.425, -0.3099, -0.7037], "mean": -0.4795, "spread": 0.3938}, "at": 1789498114}, "tier": 1, "alerts": [], "total_sd": 0.886, "total_ci95": [19.84, 23.165], "relegate_reason": [], "submitted_at": 1789490846, "scored_at": 1789498114, "rank": 4885}, {"candidate_id": "ODC-F62EAA", "res_at": 1789298389, "skeleton": "XQIOWZSNXYZXFI", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········c1C#N", "total": 21.158, "axes": {"activity": 6.44, "binding": 6.44, "selectivity": 2.84, "admet": 1.74, "novelty": 2.36, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 4.987, "fraction": 0.215}, "binding": {"pIC50": 5.97, "LE": 0.355, "potency_term": 0.322, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.322}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.222, "ld50-zhu": 0.694, "herg": 0.51, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 4.986539645028834, "aff_pf": 0.0338092694679896, "aff_hs": 0.9163875182469686, "repeats_pf": {"runs": 3, "values": [-0.0207, -0.0642, 0.1864], "mean": 0.0338, "spread": 0.2506}, "repeats_hs": {"runs": 3, "values": [0.8976, 0.9087, 0.9428], "mean": 0.9164, "spread": 0.0452}, "at": 1789298389}, "tier": 1, "alerts": [], "total_sd": 1.124, "total_ci95": [19.585, 22.815], "relegate_reason": [], "submitted_at": 1789297002, "scored_at": 1789298389, "rank": 4886}, {"candidate_id": "ODC-AEEB2C", "res_at": 1787078315, "skeleton": "TUCIMPLQHRLHDD", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(-··········1CCC2", "total": 21.139, "axes": {"activity": 10.02, "binding": 6.03, "selectivity": 0.0, "admet": 1.31, "novelty": 2.54, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.201, "fraction": 0.334}, "binding": {"pIC50": 6.21, "LE": 0.224, "potency_term": 0.404, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.262, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.37, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.201361224403448, "aff_pf": -0.21136226753393808, "aff_hs": -0.9394926428794861, "repeats_pf": {"runs": 3, "values": [-0.3596, -0.0487, -0.2258], "mean": -0.2114, "spread": 0.3109}, "repeats_hs": {"runs": 3, "values": [-0.9256, -1.0617, -0.8312], "mean": -0.9395, "spread": 0.2305}, "at": 1787078315}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066959, "scored_at": 1787078315, "alerts": [], "rank": 4887}, {"candidate_id": "ODC-9C840E", "res_at": 1789555787, "skeleton": "HKBXRFVLCQEGOA", "hf_user": "Bio-JS", "display_name": "0916-S1-div30", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 21.136, "axes": {"activity": 11.07, "binding": 2.64, "selectivity": 0.34, "admet": 3.2, "novelty": 2.22, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 5.4, "LE": 0.308, "potency_term": 0.132, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.129, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.603, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.687, "ld50-zhu": 0.351, "herg": 0.358, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.264029779753941, "aff_pf": 0.6042257646719614, "aff_hs": 0.8619590997695923, "repeats_pf": {"runs": 3, "values": [0.4243, 0.7446, 0.6438], "mean": 0.6042, "spread": 0.3204}, "repeats_hs": {"runs": 3, "values": [0.6925, 0.6729, 1.2205], "mean": 0.862, "spread": 0.5476}, "at": 1789555787}, "tier": 1, "alerts": [], "total_sd": 0.719, "total_ci95": [20.084, 22.835], "relegate_reason": [], "submitted_at": 1789526944, "scored_at": 1789555787, "rank": 4888}, {"candidate_id": "ODC-E6BE8D", "res_at": 1787953353, "skeleton": "TVHDUDZCDIBHHF", "hf_user": "Bio-JS", "display_name": "C4 티에노피리미딘 x 싸이에탄-CH2F + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)c2s1", "total": 21.135, "axes": {"activity": 5.39, "binding": 8.74, "selectivity": 0.0, "admet": 2.37, "novelty": 2.86, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 4.923, "fraction": 0.18}, "binding": {"pIC50": 6.31, "LE": 0.36, "potency_term": 0.437, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.815, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 4.923146391157572, "aff_pf": -0.310923437277476, "aff_hs": -0.8443907101949056, "repeats_pf": {"runs": 3, "values": [-0.2104, -0.2828, -0.4396], "mean": -0.3109, "spread": 0.2292}, "repeats_hs": {"runs": 3, "values": [-0.8138, -0.8498, -0.8696], "mean": -0.8444, "spread": 0.0557}, "at": 1787953353}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945159, "scored_at": 1787953353, "alerts": [], "rank": 4889}, {"candidate_id": "ODC-A2967D", "res_at": 1787384042, "skeleton": "HTTKTPJLMYXYTK", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········O)cc1", "total": 21.133, "axes": {"activity": 11.36, "binding": 3.45, "selectivity": 0.58, "admet": 1.4, "novelty": 2.65, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.281, "fraction": 0.379}, "binding": {"pIC50": 5.7, "LE": 0.223, "potency_term": 0.232, "efficiency_cap": 0.743}, "selectivity": {"fold": 1.8, "selectivity_term": 0.125, "target_engagement": 0.232}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.554, "ld50-zhu": 0.592, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.2813179616883374, "aff_pf": 0.30457013845443726, "aff_hs": 0.5551268458366394, "repeats_pf": {"runs": 3, "values": [0.3101, 0.3901, 0.2135], "mean": 0.3046, "spread": 0.1766}, "repeats_hs": {"runs": 3, "values": [0.587, 0.5156, 0.5628], "mean": 0.5551, "spread": 0.0714}, "at": 1787384042}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383119, "scored_at": 1787384042, "alerts": [], "rank": 4890}, {"candidate_id": "ODC-A5BCEC", "res_at": 1787024769, "skeleton": "AOUVORBETSKGME", "hf_user": "takutoyo", "display_name": "PfD5-B4", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········O)CC1", "total": 21.129, "axes": {"activity": 12.12, "binding": 1.32, "selectivity": 0.26, "admet": 2.69, "novelty": 2.74, "synthesis": 1.99}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 5.26, "LE": 0.232, "potency_term": 0.085, "efficiency_cap": 0.774}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.085}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.672, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.436, "cyp2c9-veith": 0.38, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.115}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 5.327109290340148, "aff_pf": 0.7436159451802572, "aff_hs": 1.0534875392913818, "repeats_pf": {"runs": 3, "values": [0.728, 0.7374, 0.7655], "mean": 0.7436, "spread": 0.0375}, "repeats_hs": {"runs": 3, "values": [0.9231, 1.1551, 1.0822], "mean": 1.0535, "spread": 0.232}, "at": 1787024769}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023111, "scored_at": 1787024769, "alerts": [], "rank": 4891}, {"candidate_id": "ODC-A1C5F9", "res_at": 1789991758, "skeleton": "UPXJRENKSOKOOP", "hf_user": "Bio-JS", "display_name": "0921-S1-04", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 21.113, "axes": {"activity": 6.25, "binding": 7.27, "selectivity": 1.83, "admet": 2.47, "novelty": 1.76, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 4.975, "fraction": 0.208}, "binding": {"pIC50": 6.09, "LE": 0.334, "potency_term": 0.363, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.252, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.435, "herg": 0.207, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 4.9752223031012, "aff_pf": -0.09003069748481114, "aff_hs": 0.41474833091100055, "repeats_pf": {"runs": 3, "values": [-0.0762, -0.0738, -0.1201], "mean": -0.09, "spread": 0.0463}, "repeats_hs": {"runs": 3, "values": [0.3847, 0.3867, 0.4728], "mean": 0.4147, "spread": 0.0881}, "at": 1789991758}, "tier": 1, "alerts": [], "total_sd": 0.222, "total_ci95": [20.756, 21.581], "relegate_reason": [], "submitted_at": 1789989742, "scored_at": 1789991758, "rank": 4892}, {"candidate_id": "ODC-D6D804", "res_at": 1787352586, "skeleton": "HYOXQUOPKUVRIR", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········CCCC1", "total": 21.106, "axes": {"activity": 13.75, "binding": 0.02, "selectivity": 0.0, "admet": 2.85, "novelty": 2.99, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.425, "fraction": 0.458}, "binding": {"pIC50": 5.0, "LE": 0.214, "potency_term": 0.001, "efficiency_cap": 0.714}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.001}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.396, "cyp2c9-veith": 0.888, "cyp3a4-substrate-carbonmangels": 0.06, "ld50-zhu": 0.43, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.4247498541949515, "aff_pf": 0.9965577522913615, "aff_hs": 0.7159752448399862, "repeats_pf": {"runs": 3, "values": [1.0537, 1.0089, 0.927], "mean": 0.9966, "spread": 0.1267}, "repeats_hs": {"runs": 3, "values": [0.5973, 1.0736, 0.4771], "mean": 0.716, "spread": 0.5965}, "at": 1787352586}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347746, "scored_at": 1787352586, "alerts": [], "rank": 4893}, {"candidate_id": "ODC-3F360F", "res_at": 1789917997, "skeleton": "ZNTHVEHXYYEZGO", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 21.105, "axes": {"activity": 11.18, "binding": 3.73, "selectivity": 0.78, "admet": 1.47, "novelty": 2.08, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 5.8, "LE": 0.209, "potency_term": 0.268, "efficiency_cap": 0.697}, "selectivity": {"fold": 2.0, "selectivity_term": 0.145, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 0.49, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.981, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "2", "pAct_q10": 5.2707731098837245, "aff_pf": 0.19669255862633386, "aff_hs": 0.48746450742085773, "repeats_pf": {"runs": 3, "values": [0.0103, 0.1258, 0.454], "mean": 0.1967, "spread": 0.4438}, "repeats_hs": {"runs": 3, "values": [0.3106, 0.6818, 0.47], "mean": 0.4875, "spread": 0.3712}, "at": 1789917997}, "tier": 1, "alerts": [], "total_sd": 0.967, "total_ci95": [19.078, 23.134], "relegate_reason": [], "submitted_at": 1789907218, "scored_at": 1789917997, "rank": 4894}, {"candidate_id": "ODC-77F3F5", "res_at": 1787374467, "skeleton": "GJUZSXHPCLOQER", "hf_user": "1Dmeds", "display_name": "ODC26-G01", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 21.102, "axes": {"activity": 12.6, "binding": 1.5, "selectivity": 0.38, "admet": 1.66, "novelty": 2.97, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.356, "fraction": 0.42}, "binding": {"pIC50": 5.31, "LE": 0.22, "potency_term": 0.102, "efficiency_cap": 0.734}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.102}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.831, "herg": 0.05, "dili": 0.327}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.356263985301342, "aff_pf": 0.6935020883878072, "aff_hs": 1.062368134657542, "repeats_pf": {"runs": 3, "values": [0.738, 0.5604, 0.7821], "mean": 0.6935, "spread": 0.2217}, "repeats_hs": {"runs": 3, "values": [1.0128, 0.8375, 1.3368], "mean": 1.0624, "spread": 0.4993}, "at": 1787374467}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372638, "scored_at": 1787374467, "alerts": [], "rank": 4895}, {"candidate_id": "ODC-14754D", "res_at": 1787871588, "skeleton": "HLQLYNKJVWJXMB", "hf_user": "Moonweave", "display_name": "M5AI-F12-AMD-01", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCOc1··········)cc1F", "total": 21.077, "axes": {"activity": 10.71, "binding": 4.55, "selectivity": 0.45, "admet": 1.31, "novelty": 2.46, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.243, "fraction": 0.357}, "binding": {"pIC50": 5.73, "LE": 0.28, "potency_term": 0.244, "efficiency_cap": 0.935}, "selectivity": {"fold": 1.5, "selectivity_term": 0.092, "target_engagement": 0.244}, "admet": {"geometric_mean": 0.245, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.76, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.467, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.2426459250053306, "aff_pf": 0.2690605769554774, "aff_hs": 0.4537576635678609, "repeats_pf": {"runs": 3, "values": [0.3058, 0.2729, 0.2285], "mean": 0.2691, "spread": 0.0773}, "repeats_hs": {"runs": 3, "values": [0.4996, 0.4736, 0.3881], "mean": 0.4538, "spread": 0.1115}, "at": 1787845402}, "tier": 1, "relegate_reason": [], "submitted_at": 1787791018, "scored_at": 1787845402, "alerts": [], "rank": 4896}, {"candidate_id": "ODC-AB4942", "res_at": 1787025120, "skeleton": "PSZRZSDQWKFMLT", "hf_user": "takutoyo", "display_name": "PfD5-B5", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········O)CC1", "total": 21.075, "axes": {"activity": 10.48, "binding": 3.0, "selectivity": 1.62, "admet": 1.88, "novelty": 2.42, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 5.53, "LE": 0.253, "potency_term": 0.178, "efficiency_cap": 0.842}, "selectivity": {"fold": 8.1, "selectivity_term": 0.454, "target_engagement": 0.178}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.561, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.746, "herg": 0.05, "dili": 0.123}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.22880997733386, "aff_pf": 0.46601343154907227, "aff_hs": 1.3740103642145793, "repeats_pf": {"runs": 3, "values": [0.2827, 0.3744, 0.7409], "mean": 0.466, "spread": 0.4582}, "repeats_hs": {"runs": 3, "values": [1.4346, 1.4844, 1.203], "mean": 1.374, "spread": 0.2814}, "at": 1787025120}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023121, "scored_at": 1787025120, "alerts": [], "rank": 4897}, {"candidate_id": "ODC-110DFE", "res_at": 1786884153, "skeleton": "WCJGMINKOPKJSE", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 21.068, "axes": {"activity": 12.34, "binding": 1.43, "selectivity": 0.0, "admet": 2.65, "novelty": 2.78, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 4.94, "LE": 0.251, "potency_term": 0.086, "efficiency_cap": 0.835}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.189, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.276, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "2", "pAct_q10": 5.340130308425726, "aff_pf": 1.061240832010905, "aff_hs": 0.6588077545166016, "repeats_pf": {"runs": 3, "values": [1.079, 1.0876, 1.0171], "mean": 1.0612, "spread": 0.0705}, "repeats_hs": {"runs": 3, "values": [0.721, 0.5747, 0.6808], "mean": 0.6588, "spread": 0.1463}, "at": 1786884153}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877559, "scored_at": 1786884153, "alerts": [], "rank": 4898}, {"candidate_id": "ODC-1C6F8A", "res_at": 1787215951, "skeleton": "JLXYYIPVORDQHM", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(F··········)cc1F", "total": 21.051, "axes": {"activity": 7.82, "binding": 7.21, "selectivity": 0.0, "admet": 1.79, "novelty": 2.53, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.069, "fraction": 0.261}, "binding": {"pIC50": 6.09, "LE": 0.298, "potency_term": 0.363, "efficiency_cap": 0.993}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.116, "cyp3a4-substrate-carbonmangels": 0.353, "ld50-zhu": 0.746, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.069112776572166, "aff_pf": -0.08958275119463603, "aff_hs": -0.38214855392773944, "repeats_pf": {"runs": 3, "values": [-0.0232, -0.1622, -0.0833], "mean": -0.0896, "spread": 0.1389}, "repeats_hs": {"runs": 3, "values": [-0.4713, -0.3422, -0.333], "mean": -0.3821, "spread": 0.1383}, "at": 1787215951}, "tier": 1, "relegate_reason": [], "submitted_at": 1787214434, "scored_at": 1787215951, "alerts": [], "rank": 4899}, {"candidate_id": "ODC-E5CE78", "res_at": 1789498852, "skeleton": "VTSSABKEGZGAKO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "OC(Cn1c··········F)c1F", "total": 21.051, "axes": {"activity": 8.02, "binding": 7.62, "selectivity": 0.0, "admet": 1.19, "novelty": 2.59, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.081, "fraction": 0.267}, "binding": {"pIC50": 6.53, "LE": 0.224, "potency_term": 0.511, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.511}, "admet": {"geometric_mean": 0.208, "per_endpoint": {"solubility-aqsoldb": 0.057, "caco2-wang": 0.522, "hia-hou": 0.932, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.416, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.081073357496778, "aff_pf": -0.5324691732724508, "aff_hs": -0.7939457794030508, "repeats_pf": {"runs": 3, "values": [-0.4041, -0.5166, -0.6767], "mean": -0.5325, "spread": 0.2727}, "repeats_hs": {"runs": 3, "values": [-0.7345, -0.4964, -1.151], "mean": -0.7939, "spread": 0.6545}, "at": 1789498852}, "tier": 1, "alerts": [], "total_sd": 0.682, "total_ci95": [19.725, 22.593], "relegate_reason": [], "submitted_at": 1789490852, "scored_at": 1789498852, "rank": 4900}, {"candidate_id": "ODC-BFDAB0", "res_at": 1786916738, "skeleton": "XVYKWLQDOXILIX", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········O)CC1", "total": 21.036, "axes": {"activity": 10.07, "binding": 3.74, "selectivity": 0.9, "admet": 2.43, "novelty": 2.46, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.204, "fraction": 0.336}, "binding": {"pIC50": 5.61, "LE": 0.275, "potency_term": 0.204, "efficiency_cap": 0.915}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.204}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.455, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.177, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.269, "novelty": 0.731}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.204404527350989, "aff_pf": 0.3867181142171224, "aff_hs": 0.8266412417093912, "repeats_pf": {"runs": 3, "values": [0.3533, 0.4246, 0.3822], "mean": 0.3867, "spread": 0.0713}, "repeats_hs": {"runs": 3, "values": [0.9363, 0.8127, 0.731], "mean": 0.8266, "spread": 0.2053}, "at": 1786916738}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915645, "scored_at": 1786916738, "alerts": [], "rank": 4901}, {"candidate_id": "ODC-29F781", "res_at": 1788094315, "skeleton": "SPZWMCKTALTORT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 21.014, "axes": {"activity": 10.62, "binding": 3.37, "selectivity": 0.0, "admet": 2.83, "novelty": 2.5, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.237, "fraction": 0.354}, "binding": {"pIC50": 5.51, "LE": 0.314, "potency_term": 0.168, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.168}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.266, "cyp3a4-substrate-carbonmangels": 0.6, "ld50-zhu": 0.531, "herg": 0.384, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.236967846736271, "aff_pf": 0.4948792854944865, "aff_hs": 0.27461250126361847, "repeats_pf": {"runs": 3, "values": [0.4337, 0.5342, 0.5168], "mean": 0.4949, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [0.3541, 0.2712, 0.1985], "mean": 0.2746, "spread": 0.1555}, "at": 1788094315}, "tier": 1, "alerts": [], "total_sd": 0.185, "total_ci95": [20.752, 21.422], "relegate_reason": [], "submitted_at": 1788081353, "scored_at": 1788094315, "rank": 4902}, {"candidate_id": "ODC-92632C", "res_at": 1789891265, "skeleton": "VUQFXHPQEZGPKS", "hf_user": "Bio-JS", "display_name": "0918-S1-div17", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)(F)F", "total": 21.007, "axes": {"activity": 10.6, "binding": 3.81, "selectivity": 0.0, "admet": 2.88, "novelty": 2.2, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.353}, "binding": {"pIC50": 5.57, "LE": 0.305, "potency_term": 0.19, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.624, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.822, "cyp3a4-substrate-carbonmangels": 0.927, "ld50-zhu": 0.467, "herg": 0.325, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.235747857268976, "aff_pf": 0.42912084857622784, "aff_hs": 0.1611264447371165, "repeats_pf": {"runs": 3, "values": [0.4219, 0.4465, 0.419], "mean": 0.4291, "spread": 0.0276}, "repeats_hs": {"runs": 3, "values": [0.1023, 0.1835, 0.1976], "mean": 0.1611, "spread": 0.0954}, "at": 1789891265}, "tier": 1, "alerts": [], "total_sd": 0.047, "total_ci95": [20.891, 21.074], "relegate_reason": [], "submitted_at": 1789687053, "scored_at": 1789891265, "rank": 4903}, {"candidate_id": "ODC-0FDF6A", "res_at": 1787200914, "skeleton": "ANBPNOGKFKGUHU", "hf_user": "Ku-ku", "display_name": "KB2_leaderfamily2", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 21.005, "axes": {"activity": 9.76, "binding": 5.13, "selectivity": 0.95, "admet": 1.36, "novelty": 2.17, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.325}, "binding": {"pIC50": 5.89, "LE": 0.26, "potency_term": 0.296, "efficiency_cap": 0.867}, "selectivity": {"fold": 2.1, "selectivity_term": 0.161, "target_engagement": 0.296}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 0.232, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.184, "dili": 0.717}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.185827413270326, "aff_pf": 0.11226640331248443, "aff_hs": 0.4342029889424642, "repeats_pf": {"runs": 3, "values": [0.0079, 0.0994, 0.2294], "mean": 0.1123, "spread": 0.2215}, "repeats_hs": {"runs": 3, "values": [0.7979, 0.3427, 0.162], "mean": 0.4342, "spread": 0.6358}, "at": 1787200914}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195741, "scored_at": 1787200914, "alerts": [], "rank": 4904}, {"candidate_id": "ODC-569237", "res_at": 1787289090, "skeleton": "XRIUPGJSYRBMIK", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········3)cn1", "total": 21.003, "axes": {"activity": 11.96, "binding": 1.42, "selectivity": 0.0, "admet": 3.28, "novelty": 2.91, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.399}, "binding": {"pIC50": 4.94, "LE": 0.25, "potency_term": 0.085, "efficiency_cap": 0.835}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.912, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.317371973706846, "aff_pf": 1.063484529654185, "aff_hs": 0.650584896405538, "repeats_pf": {"runs": 3, "values": [0.9987, 1.1229, 1.0688], "mean": 1.0635, "spread": 0.1242}, "repeats_hs": {"runs": 3, "values": [0.6426, 0.6158, 0.6933], "mean": 0.6506, "spread": 0.0775}, "at": 1787289090}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286767, "scored_at": 1787289090, "alerts": [], "rank": 4905}, {"candidate_id": "ODC-D071E6", "res_at": 1787639288, "skeleton": "HSBOJWFQJORAAH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn(C··········3)c12", "total": 21.003, "axes": {"activity": 10.28, "binding": 5.28, "selectivity": 0.1, "admet": 1.74, "novelty": 2.2, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 5.83, "LE": 0.285, "potency_term": 0.277, "efficiency_cap": 0.951}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.554, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.485, "herg": 0.05, "dili": 0.283}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.217085363994864, "aff_pf": 0.16783362130324045, "aff_hs": 0.20289779702822366, "repeats_pf": {"runs": 3, "values": [0.3563, -0.2196, 0.3668], "mean": 0.1678, "spread": 0.5864}, "repeats_hs": {"runs": 3, "values": [0.2388, 0.1947, 0.1753], "mean": 0.2029, "spread": 0.0635}, "at": 1787639288}, "tier": 1, "relegate_reason": [], "submitted_at": 1787637166, "scored_at": 1787639288, "alerts": [], "rank": 4906}, {"candidate_id": "ODC-15F67E", "res_at": 1787971335, "skeleton": "OPQPHALIAUZCOF", "hf_user": "Bio-JS", "display_name": "C x 팔1 메틸설폰아미도페닐", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1sc2c··········O)cc1", "total": 20.997, "axes": {"activity": 10.6, "binding": 4.88, "selectivity": 0.0, "admet": 1.48, "novelty": 2.52, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.353}, "binding": {"pIC50": 5.92, "LE": 0.239, "potency_term": 0.307, "efficiency_cap": 0.795}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.55, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.809, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.236014047136067, "aff_pf": 0.07895882427692413, "aff_hs": 0.01046846310297648, "repeats_pf": {"runs": 3, "values": [0.0286, 0.0758, 0.1324], "mean": 0.079, "spread": 0.1038}, "repeats_hs": {"runs": 3, "values": [0.0169, 0.0828, -0.0683], "mean": 0.0105, "spread": 0.1512}, "at": 1787971335}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967337, "scored_at": 1787971335, "alerts": [], "rank": 4907}, {"candidate_id": "ODC-8E211F", "res_at": 1789435278, "skeleton": "XUQMUPLOOGBBKT", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCN(N)c··········nc2n1", "total": 20.997, "axes": {"activity": 12.55, "binding": 1.84, "selectivity": 0.33, "admet": 2.72, "novelty": 2.42, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 5.35, "LE": 0.236, "potency_term": 0.117, "efficiency_cap": 0.788}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.117}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.516, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.402, "cyp2c9-veith": 0.061, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.846, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 4.11}}, "run": {"gpu": "0", "pAct_q10": 5.353193329595112, "aff_pf": 0.6490055918693542, "aff_hs": 0.9307759602864584, "repeats_pf": {"runs": 3, "values": [0.6601, 0.6316, 0.6553], "mean": 0.649, "spread": 0.0285}, "repeats_hs": {"runs": 3, "values": [0.9168, 0.9826, 0.893], "mean": 0.9308, "spread": 0.0896}, "at": 1789435278}, "tier": 1, "alerts": [], "total_sd": 0.058, "total_ci95": [20.906, 21.123], "relegate_reason": [], "submitted_at": 1789434928, "scored_at": 1789435278, "rank": 4908}, {"candidate_id": "ODC-DB9FC2", "res_at": 1789089455, "skeleton": "FEYOTTQHECATHZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 20.977, "axes": {"activity": 12.99, "binding": 1.07, "selectivity": 0.47, "admet": 3.31, "novelty": 1.7, "synthesis": 1.44}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 5.2, "LE": 0.245, "potency_term": 0.065, "efficiency_cap": 0.818}, "selectivity": {"fold": 5.3, "selectivity_term": 0.363, "target_engagement": 0.065}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.847, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.673, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "0", "pAct_q10": 5.37922223810569, "aff_pf": 0.803969939549764, "aff_hs": 1.5290909608205159, "repeats_pf": {"runs": 3, "values": [0.7344, 0.7809, 0.8966], "mean": 0.804, "spread": 0.1622}, "repeats_hs": {"runs": 3, "values": [1.6289, 1.4286, 1.5298], "mean": 1.5291, "spread": 0.2003}, "at": 1789089455}, "tier": 1, "alerts": [], "total_sd": 0.328, "total_ci95": [20.229, 21.576], "relegate_reason": [], "submitted_at": 1789088674, "scored_at": 1789089455, "rank": 4909}, {"candidate_id": "ODC-A682AC", "res_at": 1787053356, "skeleton": "YXVZGQUNUIXGSI", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc2n1", "total": 20.969, "axes": {"activity": 3.69, "binding": 7.94, "selectivity": 3.22, "admet": 1.69, "novelty": 2.89, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 4.821, "fraction": 0.123}, "binding": {"pIC50": 6.42, "LE": 0.251, "potency_term": 0.474, "efficiency_cap": 0.838}, "selectivity": {"fold": 4.8, "selectivity_term": 0.34, "target_engagement": 0.474}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.478, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.354, "cyp2c9-veith": 0.649, "cyp3a4-substrate-carbonmangels": 0.131, "ld50-zhu": 0.06, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 4.821110233712664, "aff_pf": -0.421752209464709, "aff_hs": 0.25759666164716083, "repeats_pf": {"runs": 3, "values": [-0.4985, -0.5418, -0.225], "mean": -0.4218, "spread": 0.3168}, "repeats_hs": {"runs": 3, "values": [0.2505, 0.2692, 0.2531], "mean": 0.2576, "spread": 0.0187}, "at": 1787053356}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052169, "scored_at": 1787053356, "alerts": [], "rank": 4910}, {"candidate_id": "ODC-7E9C30", "res_at": 1789336880, "skeleton": "BLBSNYYRLAWWDS", "hf_user": "trblnfxn", "display_name": "SEED-16-Tetrahydroacridine", "model_name": "Hermes-Hybrid-NonTP-v1", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCC1··········c1c2O", "total": 20.968, "axes": {"activity": 5.68, "binding": 8.17, "selectivity": 0.17, "admet": 2.89, "novelty": 2.24, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 4.941, "fraction": 0.189}, "binding": {"pIC50": 6.23, "LE": 0.426, "potency_term": 0.408, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.844, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.351, "herg": 0.09, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 4.940721861342121, "aff_pf": -0.22522244354089102, "aff_hs": -0.18450825909773508, "repeats_pf": {"runs": 3, "values": [-0.2311, -0.2414, -0.2032], "mean": -0.2252, "spread": 0.0383}, "repeats_hs": {"runs": 3, "values": [-0.2996, -0.1337, -0.1202], "mean": -0.1845, "spread": 0.1795}, "at": 1789336880}, "tier": 1, "alerts": [], "total_sd": 0.195, "total_ci95": [20.645, 21.389], "relegate_reason": [], "submitted_at": 1789327671, "scored_at": 1789336880, "rank": 4911}, {"candidate_id": "ODC-F3C246", "res_at": 1787547503, "skeleton": "IZFFELPCQYNDRN", "hf_user": "NILKNARFGonzo", "display_name": "fgsesgdgrsa", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "CCNc1ccc(-c2cc(-c3ccc(C(C)(C)C#N)cc3)nc3cc(-c4ccc5ccccc5c4)nn23)cc1", "smiles_masked": null, "total": 20.953, "axes": {"activity": 11.78, "binding": 2.4, "selectivity": 0.17, "admet": 1.96, "novelty": 2.77, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.307, "fraction": 0.393}, "binding": {"pIC50": 5.55, "LE": 0.195, "potency_term": 0.184, "efficiency_cap": 0.65}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.549, "cyp3a4-substrate-carbonmangels": 0.149, "ld50-zhu": 0.643, "herg": 0.05, "dili": 0.657}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.306891931366829, "aff_pf": 0.4465782543023427, "aff_hs": 0.5396274924278259, "repeats_pf": {"runs": 3, "values": [0.4342, 0.4419, 0.4636], "mean": 0.4466, "spread": 0.0295}, "repeats_hs": {"runs": 3, "values": [-0.0803, 0.8727, 0.8265], "mean": 0.5396, "spread": 0.953}, "at": 1787547503}, "tier": 1, "relegate_reason": [], "submitted_at": 1787525546, "scored_at": 1787547503, "alerts": [], "rank": 4912}, {"candidate_id": "ODC-688EAE", "res_at": 1787437034, "skeleton": "ZBQBNLZGJAGPMZ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········CCCC1", "total": 20.942, "axes": {"activity": 13.32, "binding": 0.67, "selectivity": 0.0, "admet": 2.4, "novelty": 2.98, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.399, "fraction": 0.444}, "binding": {"pIC50": 4.72, "LE": 0.202, "potency_term": 0.05, "efficiency_cap": 0.674}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.561, "hia-hou": 1.0, "bioavailability-ma": 0.583, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.753, "cyp3a4-substrate-carbonmangels": 0.368, "ld50-zhu": 0.53, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 3.53}}, "run": {"gpu": "3", "pAct_q10": 5.399401495160289, "aff_pf": 1.2778501907984416, "aff_hs": 0.7646746834119161, "repeats_pf": {"runs": 3, "values": [1.5557, 1.1352, 1.1426], "mean": 1.2779, "spread": 0.4205}, "repeats_hs": {"runs": 3, "values": [0.6509, 0.7894, 0.8538], "mean": 0.7647, "spread": 0.2029}, "at": 1787437034}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436323, "scored_at": 1787437034, "alerts": [], "rank": 4913}, {"candidate_id": "ODC-51774A", "res_at": 1787278868, "skeleton": "GAVJQCNDODPVAH", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cnc12", "total": 20.931, "axes": {"activity": 12.19, "binding": 1.91, "selectivity": 0.12, "admet": 3.08, "novelty": 2.19, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.331, "fraction": 0.406}, "binding": {"pIC50": 5.3, "LE": 0.29, "potency_term": 0.099, "efficiency_cap": 0.967}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.647, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.545, "herg": 0.663, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.461, "novelty": 0.539}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.331476590316364, "aff_pf": 0.7044950326283773, "aff_hs": 0.8240167101224264, "repeats_pf": {"runs": 3, "values": [0.7043, 0.7793, 0.63], "mean": 0.7045, "spread": 0.1493}, "repeats_hs": {"runs": 3, "values": [0.844, 0.8728, 0.7552], "mean": 0.824, "spread": 0.1176}, "at": 1787278868}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276115, "scored_at": 1787278868, "alerts": [], "rank": 4914}, {"candidate_id": "ODC-668011", "res_at": 1786975613, "skeleton": "IUUAJXVPQRSMIV", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCN(C)··········cccc1", "total": 20.917, "axes": {"activity": 12.01, "binding": 0.9, "selectivity": 0.0, "admet": 3.56, "novelty": 2.67, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 4.77, "LE": 0.242, "potency_term": 0.056, "efficiency_cap": 0.806}, "selectivity": {"fold": 1.0, "selectivity_term": 0.007, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.83, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 0.548, "pgp-broccatelli": 0.465, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.428, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.320833905301184, "aff_pf": 1.231980323791504, "aff_hs": 1.246171474456787, "repeats_pf": {"runs": 3, "values": [1.2732, 1.1008, 1.3219], "mean": 1.232, "spread": 0.2211}, "repeats_hs": {"runs": 3, "values": [1.0843, 1.1682, 1.486], "mean": 1.2462, "spread": 0.4017}, "at": 1786975613}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975375, "scored_at": 1786975613, "alerts": [], "rank": 4915}, {"candidate_id": "ODC-B8F3FE", "res_at": 1787368169, "skeleton": "QHTVTLSAHLIXSF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCOc1··········3)cn1", "total": 20.914, "axes": {"activity": 12.37, "binding": 0.44, "selectivity": 0.0, "admet": 3.62, "novelty": 2.99, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.342, "fraction": 0.412}, "binding": {"pIC50": 4.51, "LE": 0.221, "potency_term": 0.03, "efficiency_cap": 0.736}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.672, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.342019433138414, "aff_pf": 1.4852467775344849, "aff_hs": 0.809142271677653, "repeats_pf": {"runs": 3, "values": [1.4198, 1.4992, 1.5367], "mean": 1.4852, "spread": 0.1169}, "repeats_hs": {"runs": 3, "values": [0.824, 0.7953, 0.8082], "mean": 0.8091, "spread": 0.0287}, "at": 1787368169}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364844, "scored_at": 1787368169, "alerts": [], "rank": 4916}, {"candidate_id": "ODC-688486", "res_at": 1787514795, "skeleton": "LEXYQHWNEDECFK", "hf_user": "Saqibbangash", "display_name": "Saqibrehman", "model_name": "Deepseek", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)n1··········)(F)F", "total": 20.911, "axes": {"activity": 5.32, "binding": 6.51, "selectivity": 2.49, "admet": 2.83, "novelty": 2.43, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 6.12, "LE": 0.262, "potency_term": 0.373, "efficiency_cap": 0.873}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.373}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.584, "cyp3a4-substrate-carbonmangels": 0.521, "ld50-zhu": 0.842, "herg": 0.653, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 4.919071315988897, "aff_pf": -0.11833405743042628, "aff_hs": 0.5499253471692404, "repeats_pf": {"runs": 3, "values": [-0.1268, -0.1729, -0.0553], "mean": -0.1183, "spread": 0.1176}, "repeats_hs": {"runs": 3, "values": [0.5162, 0.5503, 0.5833], "mean": 0.5499, "spread": 0.0671}, "at": 1787514795}, "tier": 1, "relegate_reason": [], "submitted_at": 1787514598, "scored_at": 1787514795, "alerts": [], "rank": 4917}, {"candidate_id": "ODC-22EE61", "res_at": 1788465786, "skeleton": "OOFPNOMLOCGMBW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN1C(=O··········1(C)C", "total": 20.91, "axes": {"activity": 6.54, "binding": 6.36, "selectivity": 3.4, "admet": 1.27, "novelty": 2.06, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.993, "fraction": 0.218}, "binding": {"pIC50": 6.21, "LE": 0.236, "potency_term": 0.404, "efficiency_cap": 0.788}, "selectivity": {"fold": 7.0, "selectivity_term": 0.421, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.379, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.671, "herg": 0.262, "dili": 0.438}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 4.9925773781681775, "aff_pf": -0.21053009231885275, "aff_hs": 0.6323278546333313, "repeats_pf": {"runs": 3, "values": [-0.2445, -0.1713, -0.2158], "mean": -0.2105, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [0.633, 0.6361, 0.6279], "mean": 0.6323, "spread": 0.0083}, "at": 1788465786}, "tier": 1, "alerts": [], "total_sd": 0.304, "total_ci95": [20.225, 21.509], "relegate_reason": [], "submitted_at": 1788394300, "scored_at": 1788465786, "rank": 4918}, {"candidate_id": "ODC-C5F64C", "res_at": 1787374677, "skeleton": "DFSIPYWGWIHKSM", "hf_user": "1Dmeds", "display_name": "ODC26-G02", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 20.909, "axes": {"activity": 11.86, "binding": 1.99, "selectivity": 0.86, "admet": 1.61, "novelty": 2.72, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.395}, "binding": {"pIC50": 5.39, "LE": 0.231, "potency_term": 0.129, "efficiency_cap": 0.769}, "selectivity": {"fold": 4.6, "selectivity_term": 0.332, "target_engagement": 0.129}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.818, "herg": 0.05, "dili": 0.513}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.311694099353377, "aff_pf": 0.611542135477066, "aff_hs": 1.2764749924341838, "repeats_pf": {"runs": 3, "values": [0.3263, 0.7532, 0.7551], "mean": 0.6115, "spread": 0.4288}, "repeats_hs": {"runs": 3, "values": [1.1401, 1.287, 1.4024], "mean": 1.2765, "spread": 0.2623}, "at": 1787374677}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372646, "scored_at": 1787374677, "alerts": [], "rank": 4919}, {"candidate_id": "ODC-99127A", "res_at": 1789947541, "skeleton": "NDGFAYIMMLTQTG", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(S··········nc2n1", "total": 20.908, "axes": {"activity": 9.99, "binding": 3.94, "selectivity": 1.63, "admet": 2.09, "novelty": 1.8, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.2, "fraction": 0.333}, "binding": {"pIC50": 5.59, "LE": 0.333, "potency_term": 0.197, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.197}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.19, "caco2-wang": 0.999, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.212, "herg": 0.547, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.1995786833876725, "aff_pf": 0.4096345007419586, "aff_hs": 1.2361845175425212, "repeats_pf": {"runs": 3, "values": [0.5421, 0.3369, 0.3499], "mean": 0.4096, "spread": 0.2052}, "repeats_hs": {"runs": 3, "values": [1.1746, 1.2664, 1.2676], "mean": 1.2362, "spread": 0.093}, "at": 1789947541}, "tier": 1, "alerts": [], "total_sd": 0.561, "total_ci95": [20.091, 21.771], "relegate_reason": [], "submitted_at": 1789829731, "scored_at": 1789947541, "rank": 4920}, {"candidate_id": "ODC-501211", "res_at": 1786926463, "skeleton": "IZMMJGVDPBTMPT", "hf_user": "1Dmeds", "display_name": "ODC26-R6A-C2H-C6F-4Br3F", "model_name": "ODC-2026-R6", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1F", "total": 20.9, "axes": {"activity": 1.99, "binding": 7.09, "selectivity": 5.41, "admet": 3.07, "novelty": 1.67, "synthesis": 1.66}, "detail": {"activity": {"pAct_q10": 4.436, "fraction": 0.066}, "binding": {"pIC50": 6.06, "LE": 0.415, "potency_term": 0.355, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.546, "ld50-zhu": 0.384, "herg": 0.715, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "1", "pAct_q10": 4.436017305671392, "aff_pf": -0.06389368325471878, "aff_hs": 1.4628847042719524, "repeats_pf": {"runs": 3, "values": [-0.0638, -0.1115, -0.0164], "mean": -0.0639, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [1.4471, 1.5336, 1.4079], "mean": 1.4629, "spread": 0.1256}, "at": 1786926463}, "tier": 1, "relegate_reason": [], "submitted_at": 1786923848, "scored_at": 1786926463, "alerts": [], "rank": 4921}, {"candidate_id": "ODC-959610", "res_at": 1787438607, "skeleton": "HYQHFKCXEPAWKH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 20.893, "axes": {"activity": 12.93, "binding": 1.18, "selectivity": 0.34, "admet": 2.24, "novelty": 2.61, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.376, "fraction": 0.431}, "binding": {"pIC50": 5.24, "LE": 0.218, "potency_term": 0.081, "efficiency_cap": 0.726}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.081}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.782, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.156, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 5.375692404525563, "aff_pf": 0.7565790017445883, "aff_hs": 1.1788113514582317, "repeats_pf": {"runs": 3, "values": [0.7687, 0.7151, 0.7859], "mean": 0.7566, "spread": 0.0708}, "repeats_hs": {"runs": 3, "values": [1.2136, 1.0996, 1.2233], "mean": 1.1788, "spread": 0.1237}, "at": 1787438607}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436414, "scored_at": 1787438607, "alerts": [], "rank": 4922}, {"candidate_id": "ODC-79B9CB", "res_at": 1787044767, "skeleton": "KNQBHTPPCJFQDW", "hf_user": "epicsaga", "display_name": "PFD3-05", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········2)cs1", "total": 20.881, "axes": {"activity": 12.21, "binding": 1.28, "selectivity": 0.34, "admet": 2.77, "novelty": 2.25, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.333, "fraction": 0.407}, "binding": {"pIC50": 5.22, "LE": 0.265, "potency_term": 0.072, "efficiency_cap": 0.882}, "selectivity": {"fold": 2.9, "selectivity_term": 0.233, "target_engagement": 0.072}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.199, "cyp2c9-veith": 0.806, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.65, "herg": 0.05, "dili": 0.623}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "3", "pAct_q10": 5.332780699513678, "aff_pf": 0.7826766570409139, "aff_hs": 1.2483616669972737, "repeats_pf": {"runs": 3, "values": [0.9395, 0.7215, 0.687], "mean": 0.7827, "spread": 0.2525}, "repeats_hs": {"runs": 3, "values": [1.2285, 1.2306, 1.286], "mean": 1.2484, "spread": 0.0575}, "at": 1787044767}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039285, "scored_at": 1787044767, "alerts": [], "rank": 4923}, {"candidate_id": "ODC-76E8A8", "res_at": 1786952452, "skeleton": "DZQAMJDILOIGQT", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 20.853, "axes": {"activity": 12.35, "binding": 1.26, "selectivity": 0.0, "admet": 3.01, "novelty": 2.31, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.341, "fraction": 0.412}, "binding": {"pIC50": 4.85, "LE": 0.277, "potency_term": 0.068, "efficiency_cap": 0.922}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.341, "cyp3a4-substrate-carbonmangels": 0.211, "ld50-zhu": 0.574, "herg": 0.289, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.341164784568808, "aff_pf": 1.1528226931889851, "aff_hs": 0.8895095984141032, "repeats_pf": {"runs": 3, "values": [1.1477, 1.1194, 1.1914], "mean": 1.1528, "spread": 0.072}, "repeats_hs": {"runs": 3, "values": [0.8733, 0.8928, 0.9024], "mean": 0.8895, "spread": 0.0291}, "at": 1786952452}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949066, "scored_at": 1786952452, "alerts": [], "rank": 4924}, {"candidate_id": "ODC-37ED32", "res_at": 1788223694, "skeleton": "WQDSINVYOLMJKS", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 20.846, "axes": {"activity": 4.3, "binding": 7.05, "selectivity": 2.91, "admet": 3.36, "novelty": 1.8, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 4.858, "fraction": 0.143}, "binding": {"pIC50": 6.06, "LE": 0.332, "potency_term": 0.353, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.353}, "admet": {"geometric_mean": 0.636, "per_endpoint": {"solubility-aqsoldb": 0.428, "caco2-wang": 0.912, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.638, "herg": 0.687, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 4.857998831666337, "aff_pf": -0.05809218684832255, "aff_hs": 0.7681092619895935, "repeats_pf": {"runs": 3, "values": [-0.0554, -0.0426, -0.0763], "mean": -0.0581, "spread": 0.0338}, "repeats_hs": {"runs": 3, "values": [0.7501, 0.7173, 0.837], "mean": 0.7681, "spread": 0.1197}, "at": 1788223694}, "tier": 1, "alerts": [], "total_sd": 0.164, "total_ci95": [20.535, 21.172], "relegate_reason": [], "submitted_at": 1788165504, "scored_at": 1788223694, "rank": 4925}, {"candidate_id": "ODC-01310B", "res_at": 1786969349, "skeleton": "NIZARQWYNRRNHP", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········)nn1C", "total": 20.84, "axes": {"activity": 4.75, "binding": 8.35, "selectivity": 0.0, "admet": 3.22, "novelty": 2.73, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 4.885, "fraction": 0.158}, "binding": {"pIC50": 6.25, "LE": 0.329, "potency_term": 0.417, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.417}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.47, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.292, "ld50-zhu": 0.612, "herg": 0.05, "dili": 0.406}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 4.88488797126319, "aff_pf": -0.25241848826408386, "aff_hs": -0.8217018644014994, "repeats_pf": {"runs": 3, "values": [-0.2281, -0.2052, -0.3239], "mean": -0.2524, "spread": 0.1187}, "repeats_hs": {"runs": 3, "values": [-0.7171, -0.9901, -0.7579], "mean": -0.8217, "spread": 0.273}, "at": 1786969349}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968499, "scored_at": 1786969349, "alerts": [], "rank": 4926}, {"candidate_id": "ODC-3F185B", "res_at": 1789961957, "skeleton": "KUMQIFSNTVLDKH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cc1", "total": 20.822, "axes": {"activity": 8.26, "binding": 4.47, "selectivity": 3.44, "admet": 1.62, "novelty": 1.65, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.096, "fraction": 0.275}, "binding": {"pIC50": 5.85, "LE": 0.236, "potency_term": 0.284, "efficiency_cap": 0.786}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.284}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.79, "cyp3a4-substrate-carbonmangels": 0.799, "ld50-zhu": 0.661, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "2", "pAct_q10": 5.095640284098829, "aff_pf": 0.14726229012012482, "aff_hs": 1.3587708870569866, "repeats_pf": {"runs": 3, "values": [0.1983, 0.2736, -0.0301], "mean": 0.1473, "spread": 0.3037}, "repeats_hs": {"runs": 3, "values": [1.3713, 1.2526, 1.4524], "mean": 1.3588, "spread": 0.1998}, "at": 1789961957}, "tier": 1, "alerts": [], "total_sd": 1.032, "total_ci95": [19.327, 23.422], "relegate_reason": [], "submitted_at": 1789907379, "scored_at": 1789961957, "rank": 4927}, {"candidate_id": "ODC-9908E1", "res_at": 1789070054, "skeleton": "DLGJGXIJAIJIBN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········c1C#N", "total": 20.807, "axes": {"activity": 10.76, "binding": 3.51, "selectivity": 0.95, "admet": 1.64, "novelty": 2.38, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.246, "fraction": 0.359}, "binding": {"pIC50": 5.71, "LE": 0.223, "potency_term": 0.235, "efficiency_cap": 0.745}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.235}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.106, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.61, "herg": 0.05, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.24581488953245, "aff_pf": 0.2935006419817607, "aff_hs": 0.6952946384747823, "repeats_pf": {"runs": 3, "values": [0.2277, 0.3236, 0.3292], "mean": 0.2935, "spread": 0.1015}, "repeats_hs": {"runs": 3, "values": [0.8253, 0.3976, 0.863], "mean": 0.6953, "spread": 0.4655}, "at": 1789070054}, "tier": 1, "alerts": [], "total_sd": 0.401, "total_ci95": [20.121, 21.52], "relegate_reason": [], "submitted_at": 1789045927, "scored_at": 1789070054, "rank": 4928}, {"candidate_id": "ODC-1A7006", "res_at": 1786849123, "skeleton": "LUHDZKAQVDUFCL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)o1", "total": 20.798, "axes": {"activity": 2.01, "binding": 8.89, "selectivity": 1.38, "admet": 3.99, "novelty": 2.62, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 4.72, "fraction": 0.067}, "binding": {"pIC50": 6.33, "LE": 0.377, "potency_term": 0.444, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.444}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.624, "caco2-wang": 0.769, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.666, "ld50-zhu": 0.391, "herg": 0.39, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 4.720477039701844, "aff_pf": -0.3331686158974965, "aff_hs": -0.022597552587588627, "repeats_pf": {"runs": 3, "values": [-0.347, -0.2995, -0.353], "mean": -0.3332, "spread": 0.0534}, "repeats_hs": {"runs": 3, "values": [-0.0302, 0.0377, -0.0753], "mean": -0.0226, "spread": 0.1129}, "at": 1786849123}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845827, "scored_at": 1786849123, "alerts": [], "rank": 4929}, {"candidate_id": "ODC-C78D8D", "res_at": 1787919318, "skeleton": "MCHGYYWESATHOP", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········C2)s1", "total": 20.789, "axes": {"activity": 8.96, "binding": 5.93, "selectivity": 1.65, "admet": 1.66, "novelty": 1.25, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.138, "fraction": 0.299}, "binding": {"pIC50": 5.89, "LE": 0.336, "potency_term": 0.296, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.296}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.453, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.988, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.29, "herg": 0.061, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.582, "novelty": 0.418}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.137709186467942, "aff_pf": 0.11118365575869878, "aff_hs": 0.6675339142481486, "repeats_pf": {"runs": 3, "values": [0.0846, 0.1116, 0.1373], "mean": 0.1112, "spread": 0.0528}, "repeats_hs": {"runs": 3, "values": [0.7601, 0.628, 0.6145], "mean": 0.6675, "spread": 0.1456}, "at": 1787919318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787907207, "scored_at": 1787919318, "alerts": [], "rank": 4930}, {"candidate_id": "ODC-8B84A4", "res_at": 1788446436, "skeleton": "WXCBSVRPPKPBSL", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········n2)n1", "total": 20.785, "axes": {"activity": 9.66, "binding": 4.41, "selectivity": 0.96, "admet": 2.37, "novelty": 2.4, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.18, "fraction": 0.322}, "binding": {"pIC50": 5.78, "LE": 0.255, "potency_term": 0.259, "efficiency_cap": 0.851}, "selectivity": {"fold": 2.3, "selectivity_term": 0.185, "target_engagement": 0.259}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.759, "hia-hou": 0.953, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.256, "ld50-zhu": 0.818, "herg": 0.32, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.254, "novelty": 0.746}, "synthesis": {"sa_score": 3.86}}, "run": {"gpu": "0", "pAct_q10": 5.179751566418616, "aff_pf": 0.2231298287709554, "aff_hs": 0.5924534797668457, "repeats_pf": {"runs": 3, "values": [0.184, 0.3003, 0.1852], "mean": 0.2231, "spread": 0.1163}, "repeats_hs": {"runs": 3, "values": [0.6045, 0.5581, 0.6149], "mean": 0.5925, "spread": 0.0568}, "at": 1788446436}, "tier": 1, "alerts": [], "total_sd": 0.327, "total_ci95": [20.012, 21.245], "relegate_reason": [], "submitted_at": 1788366880, "scored_at": 1788446436, "rank": 4931}, {"candidate_id": "ODC-1D5F9A", "res_at": 1787889410, "skeleton": "KZVVMIOUPGMPAM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 20.774, "axes": {"activity": 9.85, "binding": 5.69, "selectivity": 0.0, "admet": 1.66, "novelty": 2.41, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 6.05, "LE": 0.244, "potency_term": 0.35, "efficiency_cap": 0.813}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.35}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.701, "herg": 0.144, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "0", "pAct_q10": 5.191092916382682, "aff_pf": -0.04980232318242391, "aff_hs": -0.4141820470492045, "repeats_pf": {"runs": 3, "values": [-0.1518, 0.0243, -0.0219], "mean": -0.0498, "spread": 0.176}, "repeats_hs": {"runs": 3, "values": [-0.4029, -0.362, -0.4776], "mean": -0.4142, "spread": 0.1156}, "at": 1787889410}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841163, "scored_at": 1787889410, "alerts": [], "rank": 4932}, {"candidate_id": "ODC-A87766", "res_at": 1786848741, "skeleton": "UAMMWWSXELQQLI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)s1", "total": 20.77, "axes": {"activity": 10.46, "binding": 4.38, "selectivity": 0.0, "admet": 2.93, "novelty": 1.53, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.227, "fraction": 0.349}, "binding": {"pIC50": 5.66, "LE": 0.337, "potency_term": 0.219, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.219}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.545, "cyp3a4-substrate-carbonmangels": 0.917, "ld50-zhu": 0.245, "herg": 0.702, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.561, "novelty": 0.439}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.227368129780563, "aff_pf": 0.3431186576684316, "aff_hs": 0.11154135068257649, "repeats_pf": {"runs": 3, "values": [0.3612, 0.315, 0.3531], "mean": 0.3431, "spread": 0.0462}, "repeats_hs": {"runs": 3, "values": [0.0022, 0.0531, 0.2793], "mean": 0.1115, "spread": 0.2771}, "at": 1786848741}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845815, "scored_at": 1786848741, "alerts": [], "rank": 4933}, {"candidate_id": "ODC-AD1C7E", "res_at": 1787371369, "skeleton": "VEAKBLJTCDYGPK", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········F)CC1", "total": 20.77, "axes": {"activity": 9.03, "binding": 5.99, "selectivity": 0.0, "admet": 2.85, "novelty": 2.27, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 5.142, "fraction": 0.301}, "binding": {"pIC50": 5.93, "LE": 0.29, "potency_term": 0.31, "efficiency_cap": 0.967}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.31}, "admet": {"geometric_mean": 0.63, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.913, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 4.55}}, "run": {"gpu": "3", "pAct_q10": 5.141897587929846, "aff_pf": 0.07046169539292653, "aff_hs": -0.056824151426553726, "repeats_pf": {"runs": 3, "values": [0.1057, 0.1072, -0.0014], "mean": 0.0705, "spread": 0.1086}, "repeats_hs": {"runs": 3, "values": [-0.0036, -0.0784, -0.0885], "mean": -0.0568, "spread": 0.0849}, "at": 1787371369}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365021, "scored_at": 1787371369, "alerts": [], "rank": 4934}, {"candidate_id": "ODC-8D1B36", "res_at": 1787428507, "skeleton": "UIXONFDGQGBLQZ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)cc12", "total": 20.766, "axes": {"activity": 11.9, "binding": 1.89, "selectivity": 0.86, "admet": 1.78, "novelty": 2.66, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.397}, "binding": {"pIC50": 5.41, "LE": 0.206, "potency_term": 0.137, "efficiency_cap": 0.687}, "selectivity": {"fold": 4.2, "selectivity_term": 0.313, "target_engagement": 0.137}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.152, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.567, "ld50-zhu": 0.859, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.314153389151905, "aff_pf": 0.5877208610375723, "aff_hs": 1.2144967317581177, "repeats_pf": {"runs": 3, "values": [0.4743, 0.6522, 0.6366], "mean": 0.5877, "spread": 0.1779}, "repeats_hs": {"runs": 3, "values": [1.2497, 1.1312, 1.2626], "mean": 1.2145, "spread": 0.1314}, "at": 1787428507}, "tier": 1, "relegate_reason": [], "submitted_at": 1787427429, "scored_at": 1787428507, "alerts": [], "rank": 4935}, {"candidate_id": "ODC-CEC229", "res_at": 1788093195, "skeleton": "VLSWUPBIGABRHW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········]c2n1", "total": 20.763, "axes": {"activity": 10.92, "binding": 2.15, "selectivity": 0.41, "admet": 2.98, "novelty": 2.54, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.255, "fraction": 0.364}, "binding": {"pIC50": 5.32, "LE": 0.317, "potency_term": 0.108, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.108}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.276, "cyp3a4-substrate-carbonmangels": 0.823, "ld50-zhu": 0.717, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.25522609948843, "aff_pf": 0.6767780979474386, "aff_hs": 1.0539555152257283, "repeats_pf": {"runs": 3, "values": [0.6962, 0.6497, 0.6844], "mean": 0.6768, "spread": 0.0465}, "repeats_hs": {"runs": 3, "values": [0.9942, 1.0294, 1.1383], "mean": 1.054, "spread": 0.1441}, "at": 1788093195}, "tier": 1, "alerts": [], "total_sd": 0.109, "total_ci95": [20.587, 20.998], "relegate_reason": [], "submitted_at": 1788081255, "scored_at": 1788093195, "rank": 4936}, {"candidate_id": "ODC-F08393", "res_at": 1786888474, "skeleton": "LSYXNWUIYDEZTB", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········C)c1F", "total": 20.734, "axes": {"activity": 8.8, "binding": 5.02, "selectivity": 2.09, "admet": 1.76, "novelty": 2.01, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.128, "fraction": 0.293}, "binding": {"pIC50": 5.77, "LE": 0.293, "potency_term": 0.257, "efficiency_cap": 0.976}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.257}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.615, "ld50-zhu": 0.518, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "2", "pAct_q10": 5.127815928997572, "aff_pf": 0.22878426313400269, "aff_hs": 1.0417697827021282, "repeats_pf": {"runs": 3, "values": [0.1373, 0.2181, 0.331], "mean": 0.2288, "spread": 0.1937}, "repeats_hs": {"runs": 3, "values": [1.0232, 0.9636, 1.1385], "mean": 1.0418, "spread": 0.1749}, "at": 1786888474}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879942, "scored_at": 1786888474, "alerts": [], "rank": 4937}, {"candidate_id": "ODC-05E8D4", "res_at": 1787078807, "skeleton": "AIFNQQZPVHBZIB", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "c1ccc2c··········2)cc1", "total": 20.733, "axes": {"activity": 6.98, "binding": 7.3, "selectivity": 1.11, "admet": 1.33, "novelty": 2.33, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.019, "fraction": 0.233}, "binding": {"pIC50": 6.3, "LE": 0.254, "potency_term": 0.432, "efficiency_cap": 0.846}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.432}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.057, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.736, "cyp3a4-substrate-carbonmangels": 0.838, "ld50-zhu": 0.072, "herg": 0.05, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.018917118860429, "aff_pf": -0.2954455402990182, "aff_hs": -0.038689106702804565, "repeats_pf": {"runs": 3, "values": [-0.4197, -0.0246, -0.4421], "mean": -0.2954, "spread": 0.4175}, "repeats_hs": {"runs": 3, "values": [0.0685, -0.1977, 0.0131], "mean": -0.0387, "spread": 0.2662}, "at": 1787078807}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066989, "scored_at": 1787078807, "alerts": [], "rank": 4938}, {"candidate_id": "ODC-6E7E9C", "res_at": 1789962713, "skeleton": "OKYKIYKTJGRNDN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 20.725, "axes": {"activity": 13.07, "binding": 1.24, "selectivity": 0.0, "admet": 1.88, "novelty": 2.35, "synthesis": 2.18}, "detail": {"activity": {"pAct_q10": 5.384, "fraction": 0.436}, "binding": {"pIC50": 5.26, "LE": 0.212, "potency_term": 0.088, "efficiency_cap": 0.707}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.088}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.523, "herg": 0.05, "dili": 0.717}}, "novelty": {"max_tanimoto": 0.461, "novelty": 0.539}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "2", "pAct_q10": 5.384298642484627, "aff_pf": 0.7365763187408447, "aff_hs": 0.7401748498280843, "repeats_pf": {"runs": 3, "values": [0.5393, 0.9657, 0.7047], "mean": 0.7366, "spread": 0.4263}, "repeats_hs": {"runs": 3, "values": [0.8094, 0.9235, 0.4876], "mean": 0.7402, "spread": 0.4359}, "at": 1789962713}, "tier": 1, "alerts": [], "total_sd": 0.584, "total_ci95": [20.036, 22.041], "relegate_reason": [], "submitted_at": 1789907391, "scored_at": 1789962713, "rank": 4939}, {"candidate_id": "ODC-CE2A65", "res_at": 1789904654, "skeleton": "XMJNUPYZDRSGQB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2c1", "total": 20.714, "axes": {"activity": 11.72, "binding": 1.16, "selectivity": 0.49, "admet": 3.57, "novelty": 1.82, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.303, "fraction": 0.391}, "binding": {"pIC50": 5.23, "LE": 0.231, "potency_term": 0.076, "efficiency_cap": 0.77}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.076}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.883, "cyp2c9-veith": 0.504, "cyp3a4-substrate-carbonmangels": 0.791, "ld50-zhu": 0.575, "herg": 0.166, "dili": 0.315}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "2", "pAct_q10": 5.302985808751081, "aff_pf": 0.7733338673909506, "aff_hs": 1.420412262280782, "repeats_pf": {"runs": 3, "values": [0.7671, 0.6305, 0.9224], "mean": 0.7733, "spread": 0.2919}, "repeats_hs": {"runs": 3, "values": [1.4613, 1.4191, 1.3808], "mean": 1.4204, "spread": 0.0805}, "at": 1789904654}, "tier": 1, "alerts": [], "total_sd": 0.581, "total_ci95": [19.577, 21.95], "relegate_reason": [], "submitted_at": 1789778680, "scored_at": 1789904654, "rank": 4940}, {"candidate_id": "ODC-824FF6", "res_at": 1789956555, "skeleton": "NXYNCPGDMXUOEO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 20.708, "axes": {"activity": 11.69, "binding": 1.71, "selectivity": 0.0, "admet": 3.27, "novelty": 2.57, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.301, "fraction": 0.39}, "binding": {"pIC50": 5.37, "LE": 0.21, "potency_term": 0.122, "efficiency_cap": 0.7}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.122}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.531, "caco2-wang": 0.572, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.189, "cyp2c9-veith": 0.806, "cyp3a4-substrate-carbonmangels": 0.298, "ld50-zhu": 1.0, "herg": 0.05, "dili": 0.778}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 5.3012031513894184, "aff_pf": 0.63350181778272, "aff_hs": 0.28894172112147015, "repeats_pf": {"runs": 3, "values": [0.8896, 0.547, 0.4638], "mean": 0.6335, "spread": 0.4258}, "repeats_hs": {"runs": 3, "values": [0.2517, 0.3112, 0.3039], "mean": 0.2889, "spread": 0.0595}, "at": 1789956555}, "tier": 1, "alerts": [], "total_sd": 0.511, "total_ci95": [20.018, 21.433], "relegate_reason": [], "submitted_at": 1789863608, "scored_at": 1789956555, "rank": 4941}, {"candidate_id": "ODC-4F3464", "res_at": 1787968020, "skeleton": "PZLQDNCOMIKOJW", "hf_user": "Bio-JS", "display_name": "B x 팔1 메틸설폰아미도페닐", "model_name": "anthropic/claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········O)cc1", "total": 20.664, "axes": {"activity": 9.52, "binding": 6.25, "selectivity": 0.0, "admet": 1.26, "novelty": 2.28, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.171, "fraction": 0.317}, "binding": {"pIC50": 6.14, "LE": 0.247, "potency_term": 0.379, "efficiency_cap": 0.824}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.379}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.1714099023090965, "aff_pf": -0.13749811053276062, "aff_hs": -0.21979451179504395, "repeats_pf": {"runs": 3, "values": [-0.3899, 0.102, -0.1246], "mean": -0.1375, "spread": 0.4919}, "repeats_hs": {"runs": 3, "values": [-0.2905, -0.1797, -0.1891], "mean": -0.2198, "spread": 0.1108}, "at": 1787968020}, "tier": 1, "relegate_reason": [], "submitted_at": 1787967291, "scored_at": 1787968020, "alerts": [], "rank": 4942}, {"candidate_id": "ODC-F83159", "res_at": 1788088550, "skeleton": "AVCAAXGKQDBNAT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 20.628, "axes": {"activity": 11.24, "binding": 2.38, "selectivity": 0.37, "admet": 3.17, "novelty": 1.84, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.375}, "binding": {"pIC50": 5.36, "LE": 0.319, "potency_term": 0.119, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.154, "target_engagement": 0.119}, "admet": {"geometric_mean": 0.565, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.416, "cyp3a4-substrate-carbonmangels": 0.427, "ld50-zhu": 0.629, "herg": 0.62, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.274160769859919, "aff_pf": 0.6429943641026815, "aff_hs": 0.9515254894892374, "repeats_pf": {"runs": 3, "values": [0.6723, 0.5591, 0.6975], "mean": 0.643, "spread": 0.1384}, "repeats_hs": {"runs": 3, "values": [0.9908, 0.8719, 0.9919], "mean": 0.9515, "spread": 0.1199}, "at": 1788088550}, "tier": 1, "alerts": [], "total_sd": 0.307, "total_ci95": [20.153, 21.338], "relegate_reason": [], "submitted_at": 1788080471, "scored_at": 1788088550, "rank": 4943}, {"candidate_id": "ODC-4208FB", "res_at": 1787581081, "skeleton": "MQPVJJGLAXHFJP", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4E", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 20.627, "axes": {"activity": 12.33, "binding": 1.27, "selectivity": 0.0, "admet": 2.32, "novelty": 2.69, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 5.34, "fraction": 0.411}, "binding": {"pIC50": 4.87, "LE": 0.267, "potency_term": 0.072, "efficiency_cap": 0.889}, "selectivity": {"fold": 1.2, "selectivity_term": 0.044, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.09, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.813, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.788, "ld50-zhu": 0.559, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.339545413047702, "aff_pf": 1.13409427801768, "aff_hs": 1.2217466433842976, "repeats_pf": {"runs": 3, "values": [1.1883, 1.1188, 1.0952], "mean": 1.1341, "spread": 0.0931}, "repeats_hs": {"runs": 3, "values": [1.2175, 1.198, 1.2497], "mean": 1.2217, "spread": 0.0517}, "at": 1787581081}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578609, "scored_at": 1787581081, "alerts": [], "rank": 4944}, {"candidate_id": "ODC-377178", "res_at": 1787136804, "skeleton": "ITOAZIFNESUXHT", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 20.617, "axes": {"activity": 12.47, "binding": 1.19, "selectivity": 0.0, "admet": 2.82, "novelty": 2.25, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.348, "fraction": 0.416}, "binding": {"pIC50": 4.83, "LE": 0.276, "potency_term": 0.065, "efficiency_cap": 0.919}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.812, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.725, "ld50-zhu": 0.563, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.347915786913384, "aff_pf": 1.1725180546442668, "aff_hs": 1.191927393277486, "repeats_pf": {"runs": 3, "values": [1.2754, 1.1011, 1.1411], "mean": 1.1725, "spread": 0.1743}, "repeats_hs": {"runs": 3, "values": [1.3268, 1.0569, 1.1921], "mean": 1.1919, "spread": 0.2698}, "at": 1787136804}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135485, "scored_at": 1787136804, "alerts": [], "rank": 4945}, {"candidate_id": "ODC-52E3A1", "res_at": 1787279620, "skeleton": "MBJQNAVDIDWODB", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 20.613, "axes": {"activity": 13.72, "binding": 0.15, "selectivity": 0.0, "admet": 3.37, "novelty": 1.83, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.423, "fraction": 0.457}, "binding": {"pIC50": 5.03, "LE": 0.255, "potency_term": 0.009, "efficiency_cap": 0.85}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.009}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.459, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.997, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.516, "herg": 0.101, "dili": 0.542}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.422972046282434, "aff_pf": 0.9743849833806356, "aff_hs": 0.5747421383857727, "repeats_pf": {"runs": 3, "values": [0.9341, 0.9369, 1.0521], "mean": 0.9744, "spread": 0.118}, "repeats_hs": {"runs": 3, "values": [0.6569, 0.5374, 0.53], "mean": 0.5747, "spread": 0.1269}, "at": 1787279620}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276148, "scored_at": 1787279620, "alerts": [], "rank": 4946}, {"candidate_id": "ODC-B0B945", "res_at": 1787080314, "skeleton": "BRIVVZVJMVEBOL", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 20.613, "axes": {"activity": 9.75, "binding": 4.79, "selectivity": 0.0, "admet": 2.69, "novelty": 2.58, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 5.185, "fraction": 0.325}, "binding": {"pIC50": 5.74, "LE": 0.291, "potency_term": 0.247, "efficiency_cap": 0.971}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.247}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.206, "novelty": 0.794}, "synthesis": {"sa_score": 4.3}}, "run": {"gpu": "3", "pAct_q10": 5.185206862951685, "aff_pf": 0.2594149311383565, "aff_hs": -0.23964702586332956, "repeats_pf": {"runs": 3, "values": [0.2213, 0.3086, 0.2484], "mean": 0.2594, "spread": 0.0873}, "repeats_hs": {"runs": 3, "values": [-0.2267, -0.2043, -0.288], "mean": -0.2396, "spread": 0.0837}, "at": 1787080314}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068752, "scored_at": 1787080314, "alerts": [], "rank": 4947}, {"candidate_id": "ODC-0B6740", "res_at": 1788978696, "skeleton": "KDEKMJMWGRCGRE", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········[nH]1", "total": 20.601, "axes": {"activity": 9.0, "binding": 5.73, "selectivity": 0.27, "admet": 2.14, "novelty": 1.96, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.14, "fraction": 0.3}, "binding": {"pIC50": 5.86, "LE": 0.334, "potency_term": 0.286, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.286}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.86, "ld50-zhu": 0.489, "herg": 0.37, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "0", "pAct_q10": 5.1400692709317015, "aff_pf": 0.14085394144058228, "aff_hs": 0.23543075720469156, "repeats_pf": {"runs": 3, "values": [0.166, 0.0909, 0.1657], "mean": 0.1409, "spread": 0.0751}, "repeats_hs": {"runs": 3, "values": [0.0142, 0.2607, 0.4314], "mean": 0.2354, "spread": 0.4172}, "at": 1788978696}, "tier": 1, "alerts": [], "total_sd": 0.308, "total_ci95": [20.163, 21.329], "relegate_reason": [], "submitted_at": 1788971890, "scored_at": 1788978696, "rank": 4948}, {"candidate_id": "ODC-692408", "res_at": 1787705138, "skeleton": "PGORZHKHZGGTBR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1ccc··········)cc1F", "total": 20.589, "axes": {"activity": 9.1, "binding": 5.89, "selectivity": 0.0, "admet": 2.55, "novelty": 1.65, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.146, "fraction": 0.303}, "binding": {"pIC50": 5.88, "LE": 0.336, "potency_term": 0.295, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.295}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.582, "cyp3a4-substrate-carbonmangels": 0.443, "ld50-zhu": 0.612, "herg": 0.412, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.14608297198493, "aff_pf": 0.116373876730601, "aff_hs": 0.026631432274977367, "repeats_pf": {"runs": 3, "values": [0.0785, 0.0859, 0.1847], "mean": 0.1164, "spread": 0.1061}, "repeats_hs": {"runs": 3, "values": [0.0366, 0.0157, 0.0275], "mean": 0.0266, "spread": 0.0209}, "at": 1787705138}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702898, "scored_at": 1787705138, "alerts": [], "rank": 4949}, {"candidate_id": "ODC-00A6B9", "res_at": 1788805389, "skeleton": "YNBNRAVUBZLCRD", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········nc2n1", "total": 20.588, "axes": {"activity": 7.66, "binding": 7.09, "selectivity": 0.0, "admet": 2.16, "novelty": 1.96, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.06, "fraction": 0.255}, "binding": {"pIC50": 6.06, "LE": 0.308, "potency_term": 0.354, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.354}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.589, "cyp2c9-veith": 0.231, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.168}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 5.059824148958181, "aff_pf": -0.06296142439047496, "aff_hs": -0.26278744141260785, "repeats_pf": {"runs": 3, "values": [0.2037, -0.2618, -0.1308], "mean": -0.063, "spread": 0.4655}, "repeats_hs": {"runs": 3, "values": [-0.2972, -0.1566, -0.3345], "mean": -0.2628, "spread": 0.1779}, "at": 1788805389}, "tier": 1, "alerts": [], "total_sd": 1.466, "total_ci95": [17.156, 23.006], "relegate_reason": [], "submitted_at": 1788737137, "scored_at": 1788805389, "rank": 4950}, {"candidate_id": "ODC-4A02C2", "res_at": 1789918204, "skeleton": "MNMWSRSHORAWNJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 20.586, "axes": {"activity": 11.34, "binding": 2.52, "selectivity": 0.73, "admet": 1.96, "novelty": 2.15, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 5.55, "LE": 0.206, "potency_term": 0.184, "efficiency_cap": 0.685}, "selectivity": {"fold": 2.5, "selectivity_term": 0.2, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 0.685, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.431, "cyp3a4-substrate-carbonmangels": 0.591, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.645}}, "novelty": {"max_tanimoto": 0.43, "novelty": 0.57}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "2", "pAct_q10": 5.280105961338449, "aff_pf": 0.4492547810077667, "aff_hs": 0.8491575121879578, "repeats_pf": {"runs": 3, "values": [0.4684, 0.431, 0.4484], "mean": 0.4493, "spread": 0.0375}, "repeats_hs": {"runs": 3, "values": [0.6792, 0.9597, 0.9086], "mean": 0.8492, "spread": 0.2805}, "at": 1789918204}, "tier": 1, "alerts": [], "total_sd": 0.146, "total_ci95": [20.316, 20.838], "relegate_reason": [], "submitted_at": 1789907230, "scored_at": 1789918204, "rank": 4951}, {"candidate_id": "ODC-20382E", "res_at": 1789210738, "skeleton": "QDEVKZMMFNKYDI", "hf_user": "Bio-JS", "display_name": "0912-S1-x2N_anilClCHF2", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nc2n··········)n2n1", "total": 20.583, "axes": {"activity": 12.24, "binding": 0.58, "selectivity": 0.13, "admet": 3.5, "novelty": 2.33, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.334, "fraction": 0.408}, "binding": {"pIC50": 5.09, "LE": 0.317, "potency_term": 0.029, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.216, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.572, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.659, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.385, "herg": 0.544, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.33431960700248, "aff_pf": 0.9122695525487264, "aff_hs": 1.3438236713409424, "repeats_pf": {"runs": 3, "values": [0.8637, 0.8798, 0.9933], "mean": 0.9123, "spread": 0.1296}, "repeats_hs": {"runs": 3, "values": [1.3317, 1.4085, 1.2913], "mean": 1.3438, "spread": 0.1173}, "at": 1789210738}, "tier": 1, "alerts": [], "total_sd": 0.276, "total_ci95": [20.221, 20.999], "relegate_reason": [], "submitted_at": 1789177567, "scored_at": 1789210738, "rank": 4952}, {"candidate_id": "ODC-B3F2A5", "res_at": 1789906135, "skeleton": "MKKMZSDQMFYYCF", "hf_user": "Bio-JS", "display_name": "0918-S1-div18", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1Cl", "total": 20.58, "axes": {"activity": 9.2, "binding": 5.45, "selectivity": 0.58, "admet": 2.18, "novelty": 1.83, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.152, "fraction": 0.307}, "binding": {"pIC50": 5.82, "LE": 0.332, "potency_term": 0.272, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.107, "target_engagement": 0.272}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.875, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.373, "herg": 0.295, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.152084539967359, "aff_pf": 0.18257935841878256, "aff_hs": 0.39618996779123944, "repeats_pf": {"runs": 3, "values": [0.1323, 0.218, 0.1975], "mean": 0.1826, "spread": 0.0857}, "repeats_hs": {"runs": 3, "values": [0.3704, 0.4188, 0.3993], "mean": 0.3962, "spread": 0.0484}, "at": 1789906135}, "tier": 1, "alerts": [], "total_sd": 0.222, "total_ci95": [20.226, 21.069], "relegate_reason": [], "submitted_at": 1789687056, "scored_at": 1789906135, "rank": 4953}, {"candidate_id": "ODC-AFC144", "res_at": 1788865724, "skeleton": "UOXQTUPVHBYJAI", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-09", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)n2n1", "total": 20.579, "axes": {"activity": 1.7, "binding": 8.75, "selectivity": 2.69, "admet": 3.28, "novelty": 2.23, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 4.702, "fraction": 0.057}, "binding": {"pIC50": 6.31, "LE": 0.376, "potency_term": 0.437, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 0.13, "ld50-zhu": 0.377, "herg": 0.682, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 4.701987217422997, "aff_pf": -0.31188220779101056, "aff_hs": 0.3023609022299449, "repeats_pf": {"runs": 3, "values": [-0.2785, -0.3609, -0.2962], "mean": -0.3119, "spread": 0.0824}, "repeats_hs": {"runs": 3, "values": [0.2941, 0.3492, 0.2637], "mean": 0.3024, "spread": 0.0855}, "at": 1788865724}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [19.943, 21.46], "relegate_reason": [], "submitted_at": 1788856860, "scored_at": 1788865724, "rank": 4954}, {"candidate_id": "ODC-5730D8", "res_at": 1787049039, "skeleton": "KDAQUVXYGRMXNJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········c2)s1", "total": 20.562, "axes": {"activity": 11.61, "binding": 3.17, "selectivity": 0.71, "admet": 1.6, "novelty": 1.53, "synthesis": 1.94}, "detail": {"activity": {"pAct_q10": 5.297, "fraction": 0.387}, "binding": {"pIC50": 5.53, "LE": 0.27, "potency_term": 0.176, "efficiency_cap": 0.902}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.526, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.361, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.364, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.603, "novelty": 0.397}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "2", "pAct_q10": 5.296614615706796, "aff_pf": 0.47218308846155804, "aff_hs": 0.8740523258845011, "repeats_pf": {"runs": 3, "values": [0.4172, 0.6349, 0.3645], "mean": 0.4722, "spread": 0.2703}, "repeats_hs": {"runs": 3, "values": [0.9179, 0.894, 0.8102], "mean": 0.8741, "spread": 0.1077}, "at": 1787049039}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044890, "scored_at": 1787049039, "alerts": [], "rank": 4955}, {"candidate_id": "ODC-C145EF", "res_at": 1787888895, "skeleton": "DZFFVEYQOVTVIW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-11", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 20.554, "axes": {"activity": 10.46, "binding": 4.49, "selectivity": 0.0, "admet": 2.07, "novelty": 2.24, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.228, "fraction": 0.349}, "binding": {"pIC50": 5.81, "LE": 0.249, "potency_term": 0.271, "efficiency_cap": 0.829}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.271}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.992, "cyp2c9-veith": 0.325, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.731, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.227602529386167, "aff_pf": 0.18831650416056314, "aff_hs": -0.36284056305885315, "repeats_pf": {"runs": 3, "values": [0.2458, 0.1566, 0.1625], "mean": 0.1883, "spread": 0.0892}, "repeats_hs": {"runs": 3, "values": [-0.3443, -0.3893, -0.3549], "mean": -0.3628, "spread": 0.0449}, "at": 1787888895}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841219, "scored_at": 1787888895, "alerts": [], "rank": 4956}, {"candidate_id": "ODC-167C55", "res_at": 1789348119, "skeleton": "NXIYZHFZIZMZMD", "hf_user": "Bio-JS", "display_name": "0914-S1-div03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 20.549, "axes": {"activity": 12.04, "binding": 0.62, "selectivity": 0.0, "admet": 3.76, "novelty": 2.42, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.322, "fraction": 0.401}, "binding": {"pIC50": 5.1, "LE": 0.28, "potency_term": 0.033, "efficiency_cap": 0.932}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.879, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.538, "herg": 0.575, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.322484272069497, "aff_pf": 0.8995483915011088, "aff_hs": 0.8422845602035522, "repeats_pf": {"runs": 3, "values": [0.8464, 0.953, 0.8993], "mean": 0.8995, "spread": 0.1066}, "repeats_hs": {"runs": 3, "values": [0.7605, 1.0551, 0.7113], "mean": 0.8423, "spread": 0.3438}, "at": 1789348119}, "tier": 1, "alerts": [], "total_sd": 0.155, "total_ci95": [20.214, 20.889], "relegate_reason": [], "submitted_at": 1789346073, "scored_at": 1789348119, "rank": 4957}, {"candidate_id": "ODC-CF89C8", "res_at": 1787211061, "skeleton": "QWBCCDBOIAQBSS", "hf_user": "hansu99", "display_name": "R0K", "model_name": "Neberon2", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········cc2n1", "total": 20.547, "axes": {"activity": 5.69, "binding": 6.59, "selectivity": 2.2, "admet": 2.46, "novelty": 2.0, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 4.941, "fraction": 0.19}, "binding": {"pIC50": 5.99, "LE": 0.373, "potency_term": 0.329, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.334, "target_engagement": 0.329}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.528, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.386, "herg": 0.638, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.941181394344897, "aff_pf": 0.012217548986275991, "aff_hs": 0.6793714165687561, "repeats_pf": {"runs": 3, "values": [-0.097, 0.0735, 0.0602], "mean": 0.0122, "spread": 0.1705}, "repeats_hs": {"runs": 3, "values": [0.6979, 0.7106, 0.6296], "mean": 0.6794, "spread": 0.0809}, "at": 1787211061}, "tier": 1, "relegate_reason": [], "submitted_at": 1787210839, "scored_at": 1787211061, "alerts": [], "rank": 4958}, {"candidate_id": "ODC-9AA51B", "res_at": 1789209639, "skeleton": "IHMRJZWQLFNWTF", "hf_user": "Bio-JS", "display_name": "0912-S1-x2COC_anilOCHF2Cl", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 20.508, "axes": {"activity": 9.71, "binding": 5.55, "selectivity": 0.0, "admet": 2.16, "novelty": 1.59, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 5.83, "LE": 0.32, "potency_term": 0.277, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.277}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.095, "ld50-zhu": 0.585, "herg": 0.145, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.182614548293871, "aff_pf": 0.16751004258791605, "aff_hs": 0.08070108232398827, "repeats_pf": {"runs": 3, "values": [0.0292, 0.3531, 0.1203], "mean": 0.1675, "spread": 0.3239}, "repeats_hs": {"runs": 3, "values": [0.0431, 0.2099, -0.011], "mean": 0.0807, "spread": 0.2209}, "at": 1789209639}, "tier": 1, "alerts": [], "total_sd": 0.557, "total_ci95": [19.271, 21.597], "relegate_reason": [], "submitted_at": 1789177555, "scored_at": 1789209639, "rank": 4959}, {"candidate_id": "ODC-0799B6", "res_at": 1786857922, "skeleton": "UPUPLQBBEZPVIK", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········cc2n1", "total": 20.506, "axes": {"activity": 2.22, "binding": 8.89, "selectivity": 1.49, "admet": 3.05, "novelty": 2.92, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 4.733, "fraction": 0.074}, "binding": {"pIC50": 6.33, "LE": 0.362, "potency_term": 0.444, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.444}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.488, "ld50-zhu": 0.455, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.733234977496571, "aff_pf": -0.33315280079841614, "aff_hs": 0.0027990415692329407, "repeats_pf": {"runs": 3, "values": [-0.3169, -0.4101, -0.2725], "mean": -0.3332, "spread": 0.1375}, "repeats_hs": {"runs": 3, "values": [-0.0702, -0.0944, 0.173], "mean": 0.0028, "spread": 0.2674}, "at": 1786857922}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849023, "scored_at": 1786857922, "alerts": [], "rank": 4960}, {"candidate_id": "ODC-7D558B", "res_at": 1787436445, "skeleton": "RDVOHGRXTJODQO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········CCCC1", "total": 20.502, "axes": {"activity": 11.33, "binding": 1.97, "selectivity": 0.67, "admet": 3.16, "novelty": 2.12, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.28, "fraction": 0.378}, "binding": {"pIC50": 5.41, "LE": 0.218, "potency_term": 0.135, "efficiency_cap": 0.726}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.135}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.529, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.212, "ld50-zhu": 0.489, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.279945791780707, "aff_pf": 0.5935273965199789, "aff_hs": 1.0865982969601948, "repeats_pf": {"runs": 3, "values": [0.6241, 0.3928, 0.7637], "mean": 0.5935, "spread": 0.3709}, "repeats_hs": {"runs": 3, "values": [1.3174, 1.045, 0.8974], "mean": 1.0866, "spread": 0.4199}, "at": 1787436445}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436248, "scored_at": 1787436445, "alerts": [], "rank": 4961}, {"candidate_id": "ODC-64A7EA", "res_at": 1789878291, "skeleton": "TZEKRVYCXRWSLU", "hf_user": "Bio-JS", "display_name": "0917-S1-div26", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 20.502, "axes": {"activity": 10.28, "binding": 3.59, "selectivity": 0.31, "admet": 2.88, "novelty": 2.07, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 5.55, "LE": 0.293, "potency_term": 0.184, "efficiency_cap": 0.975}, "selectivity": {"fold": 1.5, "selectivity_term": 0.084, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.977, "cyp3a4-substrate-carbonmangels": 0.791, "ld50-zhu": 0.535, "herg": 0.368, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 5.216625889985725, "aff_pf": 0.4483015338579814, "aff_hs": 0.6158377329508463, "repeats_pf": {"runs": 3, "values": [0.4697, 0.4371, 0.4381], "mean": 0.4483, "spread": 0.0325}, "repeats_hs": {"runs": 3, "values": [0.6054, 0.6511, 0.5909], "mean": 0.6158, "spread": 0.0602}, "at": 1789878291}, "tier": 1, "alerts": [], "total_sd": 0.091, "total_ci95": [20.308, 20.647], "relegate_reason": [], "submitted_at": 1789628656, "scored_at": 1789878291, "rank": 4962}, {"candidate_id": "ODC-0688A1", "res_at": 1786774383, "skeleton": "HHXUIHKSCVGQFB", "hf_user": "MJKorean", "display_name": "Arta_Baek", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cnc2··········)c2c1", "total": 20.5, "axes": {"activity": 10.31, "binding": 3.96, "selectivity": 0.0, "admet": 2.32, "novelty": 2.31, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 5.59, "LE": 0.319, "potency_term": 0.198, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.198}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.379, "herg": 0.301, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.218869081651061, "aff_pf": 0.4060872495174408, "aff_hs": -0.10785597562789917, "at": 1786774383}, "tier": 1, "relegate_reason": [], "submitted_at": 1786773283, "scored_at": 1786774383, "alerts": [], "rank": 4963}, {"candidate_id": "ODC-947753", "res_at": 1789496554, "skeleton": "DVBAOSKZQGXIDW", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O[C@](C··········F)c1F", "total": 20.494, "axes": {"activity": 7.96, "binding": 6.96, "selectivity": 0.0, "admet": 1.72, "novelty": 2.61, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.078, "fraction": 0.265}, "binding": {"pIC50": 6.24, "LE": 0.252, "potency_term": 0.415, "efficiency_cap": 0.839}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.288, "ld50-zhu": 0.673, "herg": 0.05, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 5.077528030644953, "aff_pf": -0.24473772446314493, "aff_hs": -0.7662122448285421, "repeats_pf": {"runs": 3, "values": [-0.1528, -0.4171, -0.1643], "mean": -0.2447, "spread": 0.2643}, "repeats_hs": {"runs": 3, "values": [-0.872, -0.8602, -0.5665], "mean": -0.7662, "spread": 0.3055}, "at": 1789496554}, "tier": 1, "alerts": [], "total_sd": 0.869, "total_ci95": [19.443, 22.624], "relegate_reason": [], "submitted_at": 1789490771, "scored_at": 1789496554, "rank": 4964}, {"candidate_id": "ODC-539DFD", "res_at": 1788975416, "skeleton": "ULMPKYIKBSEEGA", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········(F)c1", "total": 20.49, "axes": {"activity": 7.94, "binding": 6.04, "selectivity": 0.65, "admet": 2.3, "novelty": 2.04, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.076, "fraction": 0.265}, "binding": {"pIC50": 5.91, "LE": 0.352, "potency_term": 0.302, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.108, "target_engagement": 0.302}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.341, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.614, "herg": 0.168, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 5.076472610555754, "aff_pf": 0.09347585837046306, "aff_hs": 0.3086674412091573, "repeats_pf": {"runs": 3, "values": [0.0906, 0.0649, 0.1249], "mean": 0.0935, "spread": 0.06}, "repeats_hs": {"runs": 3, "values": [0.3565, 0.2705, 0.2991], "mean": 0.3087, "spread": 0.086}, "at": 1788975416}, "tier": 1, "alerts": [], "total_sd": 0.239, "total_ci95": [20.02, 21.005], "relegate_reason": [], "submitted_at": 1788971660, "scored_at": 1788975416, "rank": 4965}, {"candidate_id": "ODC-F8C11B", "res_at": 1787552062, "skeleton": "XLASMTWARBLKIL", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 20.46, "axes": {"activity": 13.28, "binding": 0.88, "selectivity": 0.0, "admet": 2.0, "novelty": 2.18, "synthesis": 2.12}, "detail": {"activity": {"pAct_q10": 5.397, "fraction": 0.443}, "binding": {"pIC50": 4.86, "LE": 0.19, "potency_term": 0.07, "efficiency_cap": 0.634}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.393, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.463}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.396592162558147, "aff_pf": 1.1438700358072917, "aff_hs": 0.04583369940519333, "repeats_pf": {"runs": 3, "values": [1.1861, 1.1826, 1.0629], "mean": 1.1439, "spread": 0.1232}, "repeats_hs": {"runs": 3, "values": [0.0863, -0.0452, 0.0964], "mean": 0.0458, "spread": 0.1416}, "at": 1787552062}, "tier": 1, "relegate_reason": [], "submitted_at": 1787532633, "scored_at": 1787552062, "alerts": [], "rank": 4966}, {"candidate_id": "ODC-A25CDF", "res_at": 1787443533, "skeleton": "CHBXRKVLMPFBGI", "hf_user": "1Dmeds", "display_name": "ODC26-C5", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········C)=N2", "total": 20.444, "axes": {"activity": 10.87, "binding": 4.83, "selectivity": 0.11, "admet": 1.69, "novelty": 2.69, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 5.96, "LE": 0.227, "potency_term": 0.319, "efficiency_cap": 0.756}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.319}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.088, "caco2-wang": 0.51, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.369, "ld50-zhu": 0.607, "herg": 0.509, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 5.5}}, "run": {"gpu": "3", "pAct_q10": 5.251924309597461, "aff_pf": 0.04211284716924032, "aff_hs": 0.07759360472361247, "repeats_pf": {"runs": 3, "values": [0.1216, 0.0224, -0.0177], "mean": 0.0421, "spread": 0.1393}, "repeats_hs": {"runs": 3, "values": [0.0661, 0.0156, 0.151], "mean": 0.0776, "spread": 0.1354}, "at": 1787443533}, "tier": 1, "relegate_reason": [], "submitted_at": 1787442349, "scored_at": 1787443533, "alerts": [], "rank": 4967}, {"candidate_id": "ODC-212F8C", "res_at": 1787136241, "skeleton": "SZZAQDLNEPXIRN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········(C)n1", "total": 20.443, "axes": {"activity": 12.05, "binding": 1.83, "selectivity": 0.0, "admet": 2.17, "novelty": 2.63, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.323, "fraction": 0.402}, "binding": {"pIC50": 5.36, "LE": 0.229, "potency_term": 0.12, "efficiency_cap": 0.765}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.712, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.547, "herg": 0.85, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.322860578509648, "aff_pf": 0.6407866676648458, "aff_hs": 0.2479804257551829, "repeats_pf": {"runs": 3, "values": [0.6828, 0.5684, 0.6711], "mean": 0.6408, "spread": 0.1144}, "repeats_hs": {"runs": 3, "values": [0.1058, 0.1875, 0.4506], "mean": 0.248, "spread": 0.3449}, "at": 1787136241}, "tier": 1, "relegate_reason": [], "submitted_at": 1787134864, "scored_at": 1787136241, "alerts": [], "rank": 4968}, {"candidate_id": "ODC-2836E7", "res_at": 1787233763, "skeleton": "DIJNZVPBZSLVFY", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 20.439, "axes": {"activity": 12.46, "binding": 0.73, "selectivity": 0.0, "admet": 2.68, "novelty": 2.74, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.348, "fraction": 0.415}, "binding": {"pIC50": 4.8, "LE": 0.178, "potency_term": 0.061, "efficiency_cap": 0.593}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.602, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.513, "cyp2c9-veith": 0.573, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.713, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.347742894241964, "aff_pf": 1.1951065460840862, "aff_hs": 0.8242468436559042, "repeats_pf": {"runs": 3, "values": [1.2953, 1.0555, 1.2345], "mean": 1.1951, "spread": 0.2397}, "repeats_hs": {"runs": 3, "values": [0.8608, 0.8677, 0.7443], "mean": 0.8242, "spread": 0.1234}, "at": 1787233763}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231967, "scored_at": 1787233763, "alerts": [], "rank": 4969}, {"candidate_id": "ODC-C858EA", "res_at": 1789119756, "skeleton": "OEEROSLYLLBLDE", "hf_user": "Bio-JS", "display_name": "0911-S1-anil_6", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 20.396, "axes": {"activity": 9.79, "binding": 4.05, "selectivity": 0.85, "admet": 2.47, "novelty": 1.86, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 5.61, "LE": 0.32, "potency_term": 0.203, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.203}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.372, "cyp3a4-substrate-carbonmangels": 0.318, "ld50-zhu": 0.476, "herg": 0.508, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.187432974812173, "aff_pf": 0.39209144314130145, "aff_hs": 0.8135656913121542, "repeats_pf": {"runs": 3, "values": [0.2643, 0.3697, 0.5423], "mean": 0.3921, "spread": 0.278}, "repeats_hs": {"runs": 3, "values": [0.9194, 0.738, 0.7833], "mean": 0.8136, "spread": 0.1814}, "at": 1789119756}, "tier": 1, "alerts": [], "total_sd": 0.696, "total_ci95": [19.116, 21.852], "relegate_reason": [], "submitted_at": 1789117032, "scored_at": 1789119756, "rank": 4970}, {"candidate_id": "ODC-E64BA8", "res_at": 1789556375, "skeleton": "JETKRQNVXINLFS", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)nn12", "total": 20.385, "axes": {"activity": 8.85, "binding": 5.32, "selectivity": 1.7, "admet": 1.86, "novelty": 1.79, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 5.94, "LE": 0.254, "potency_term": 0.314, "efficiency_cap": 0.848}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.314}, "admet": {"geometric_mean": 0.422, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.673, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.932, "ld50-zhu": 0.811, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "0", "pAct_q10": 5.130954395909217, "aff_pf": 0.05917190760374069, "aff_hs": 0.5997971693674723, "repeats_pf": {"runs": 3, "values": [0.0717, 0.0908, 0.015], "mean": 0.0592, "spread": 0.0758}, "repeats_hs": {"runs": 3, "values": [0.6745, 0.6427, 0.4822], "mean": 0.5998, "spread": 0.1923}, "at": 1789556375}, "tier": 1, "alerts": [], "total_sd": 0.243, "total_ci95": [19.946, 20.935], "relegate_reason": [], "submitted_at": 1789529755, "scored_at": 1789556375, "rank": 4971}, {"candidate_id": "ODC-66418B", "res_at": 1789906652, "skeleton": "PSCRZMOKBUONJR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCC(··········3)CC1", "total": 20.382, "axes": {"activity": 12.99, "binding": 0.26, "selectivity": 0.0, "admet": 2.75, "novelty": 2.22, "synthesis": 2.16}, "detail": {"activity": {"pAct_q10": 5.379, "fraction": 0.433}, "binding": {"pIC50": 4.36, "LE": 0.193, "potency_term": 0.02, "efficiency_cap": 0.642}, "selectivity": {"fold": 1.2, "selectivity_term": 0.035, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.935, "ld50-zhu": 0.582, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.487, "novelty": 0.513}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "2", "pAct_q10": 5.379214697303334, "aff_pf": 1.6413865486780803, "aff_hs": 1.7118688821792603, "repeats_pf": {"runs": 3, "values": [1.5848, 1.7386, 1.6008], "mean": 1.6414, "spread": 0.1538}, "repeats_hs": {"runs": 3, "values": [1.7953, 1.752, 1.5883], "mean": 1.7119, "spread": 0.207}, "at": 1789906652}, "tier": 1, "alerts": [], "total_sd": 0.027, "total_ci95": [20.348, 20.425], "relegate_reason": [], "submitted_at": 1789778798, "scored_at": 1789906652, "rank": 4972}, {"candidate_id": "ODC-A71166", "res_at": 1786988829, "skeleton": "VFJXKLRLCNPXMN", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········cccc1", "total": 20.357, "axes": {"activity": 12.11, "binding": 0.28, "selectivity": 0.0, "admet": 3.83, "novelty": 2.45, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.404}, "binding": {"pIC50": 4.27, "LE": 0.266, "potency_term": 0.016, "efficiency_cap": 0.886}, "selectivity": {"fold": 2.2, "selectivity_term": 0.168, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.633, "per_endpoint": {"solubility-aqsoldb": 0.761, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 0.9, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.343, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "2", "pAct_q10": 5.3264436124137164, "aff_pf": 1.731400450070699, "aff_hs": 2.067259152730306, "repeats_pf": {"runs": 3, "values": [1.8807, 1.9221, 1.3914], "mean": 1.7314, "spread": 0.5307}, "repeats_hs": {"runs": 3, "values": [2.063, 2.0762, 2.0626], "mean": 2.0673, "spread": 0.0136}, "at": 1786988829}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984516, "scored_at": 1786988829, "alerts": [], "rank": 4973}, {"candidate_id": "ODC-6A24DF", "res_at": 1787949945, "skeleton": "SGIOFNBURSIICD", "hf_user": "Bio-JS", "display_name": "A2 [짝] 소형 2-메틸 x 옥세탄, F 없음", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 20.351, "axes": {"activity": 7.7, "binding": 5.48, "selectivity": 1.84, "admet": 2.14, "novelty": 1.94, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.062, "fraction": 0.257}, "binding": {"pIC50": 5.82, "LE": 0.347, "potency_term": 0.274, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.274}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.928, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.329, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.0619550672160525, "aff_pf": 0.17781084279219309, "aff_hs": 0.8499549627304077, "repeats_pf": {"runs": 3, "values": [0.1843, 0.0997, 0.2495], "mean": 0.1778, "spread": 0.1498}, "repeats_hs": {"runs": 3, "values": [0.8144, 0.8973, 0.8381], "mean": 0.85, "spread": 0.0829}, "at": 1787949945}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945111, "scored_at": 1787949945, "alerts": [], "rank": 4974}, {"candidate_id": "ODC-AA3ADA", "res_at": 1786878769, "skeleton": "STEFHWJWKQJPQL", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········)cc12", "total": 20.34, "axes": {"activity": 2.43, "binding": 7.55, "selectivity": 2.22, "admet": 3.72, "novelty": 2.91, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 4.516, "fraction": 0.081}, "binding": {"pIC50": 6.13, "LE": 0.382, "potency_term": 0.377, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.377}, "admet": {"geometric_mean": 0.657, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.489, "cyp3a4-substrate-carbonmangels": 0.951, "ld50-zhu": 0.841, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.228, "novelty": 0.772}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "2", "pAct_q10": 4.516319333018545, "aff_pf": -0.1323210895061493, "aff_hs": 0.45673338572184247, "repeats_pf": {"runs": 3, "values": [-0.1687, -0.0746, -0.1537], "mean": -0.1323, "spread": 0.0941}, "repeats_hs": {"runs": 3, "values": [0.4414, 0.4669, 0.4619], "mean": 0.4567, "spread": 0.0255}, "at": 1786878769}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872800, "scored_at": 1786878769, "alerts": [], "rank": 4975}, {"candidate_id": "ODC-59531C", "res_at": 1789226511, "skeleton": "CKNUUXNBGDBQCU", "hf_user": "Bio-JS", "display_name": "0913-S1-div01", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Cl", "total": 20.331, "axes": {"activity": 10.37, "binding": 3.77, "selectivity": 0.03, "admet": 2.73, "novelty": 1.89, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.346}, "binding": {"pIC50": 5.57, "LE": 0.305, "potency_term": 0.188, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.678, "cyp3a4-substrate-carbonmangels": 0.349, "ld50-zhu": 0.306, "herg": 0.604, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 5.222473405546648, "aff_pf": 0.43499021728833515, "aff_hs": 0.45136459668477374, "repeats_pf": {"runs": 3, "values": [0.4502, 0.442, 0.4129], "mean": 0.435, "spread": 0.0373}, "repeats_hs": {"runs": 3, "values": [0.4072, 0.4327, 0.5142], "mean": 0.4514, "spread": 0.107}, "at": 1789226511}, "tier": 1, "alerts": [], "total_sd": 0.087, "total_ci95": [20.217, 20.522], "relegate_reason": [], "submitted_at": 1789226273, "scored_at": 1789226511, "rank": 4976}, {"candidate_id": "ODC-600190", "res_at": 1786895755, "skeleton": "NKMOLVPCDDWMBB", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········F)c1F", "total": 20.323, "axes": {"activity": 6.81, "binding": 6.04, "selectivity": 1.75, "admet": 2.3, "novelty": 2.14, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.008, "fraction": 0.227}, "binding": {"pIC50": 5.91, "LE": 0.337, "potency_term": 0.302, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.289, "target_engagement": 0.302}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.393, "cyp3a4-substrate-carbonmangels": 0.303, "ld50-zhu": 0.563, "herg": 0.395, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.008400225456532, "aff_pf": 0.09451672434806824, "aff_hs": 0.6730682651201884, "repeats_pf": {"runs": 3, "values": [0.1192, 0.0975, 0.0669], "mean": 0.0945, "spread": 0.0523}, "repeats_hs": {"runs": 3, "values": [0.5582, 0.7546, 0.7063], "mean": 0.6731, "spread": 0.1964}, "at": 1786895755}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880880, "scored_at": 1786895755, "alerts": [], "rank": 4977}, {"candidate_id": "ODC-59462C", "res_at": 1789123847, "skeleton": "DOUSWGDVELAYDY", "hf_user": "Bio-JS", "display_name": "0911-S1-x_CNC_c", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········)n2n1", "total": 20.312, "axes": {"activity": 10.98, "binding": 2.39, "selectivity": 0.14, "admet": 2.94, "novelty": 2.3, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.259, "fraction": 0.366}, "binding": {"pIC50": 5.38, "LE": 0.283, "potency_term": 0.126, "efficiency_cap": 0.945}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.126}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.797, "cyp3a4-substrate-carbonmangels": 0.156, "ld50-zhu": 0.844, "herg": 0.139, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "0", "pAct_q10": 5.25871048972254, "aff_pf": 0.6205606261889139, "aff_hs": 0.730778435866038, "repeats_pf": {"runs": 3, "values": [0.658, 0.6186, 0.585], "mean": 0.6206, "spread": 0.073}, "repeats_hs": {"runs": 3, "values": [0.6647, 0.7194, 0.8083], "mean": 0.7308, "spread": 0.1437}, "at": 1789123847}, "tier": 1, "alerts": [], "total_sd": 0.144, "total_ci95": [20.059, 20.623], "relegate_reason": [], "submitted_at": 1789117121, "scored_at": 1789123847, "rank": 4978}, {"candidate_id": "ODC-2A56A5", "res_at": 1787348758, "skeleton": "YRZHGXFLUYUKOS", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCN··········CCCC1", "total": 20.292, "axes": {"activity": 12.97, "binding": 0.4, "selectivity": 0.0, "admet": 2.9, "novelty": 2.49, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.378, "fraction": 0.432}, "binding": {"pIC50": 5.09, "LE": 0.199, "potency_term": 0.03, "efficiency_cap": 0.664}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.03}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 0.998, "pgp-broccatelli": 0.921, "cyp2c9-veith": 0.997, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.581, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.3779896228240105, "aff_pf": 0.9103475014368693, "aff_hs": 0.6283771197001139, "repeats_pf": {"runs": 3, "values": [1.3387, 0.8414, 0.551], "mean": 0.9103, "spread": 0.7877}, "repeats_hs": {"runs": 3, "values": [0.596, 0.8966, 0.3925], "mean": 0.6284, "spread": 0.504}, "at": 1787348758}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347617, "scored_at": 1787348758, "alerts": [], "rank": 4979}, {"candidate_id": "ODC-387253", "res_at": 1789076719, "skeleton": "CHLNCLWBWMPRHK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(c1c··········(F)c1", "total": 20.285, "axes": {"activity": 12.43, "binding": 0.87, "selectivity": 0.0, "admet": 3.1, "novelty": 2.7, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.414}, "binding": {"pIC50": 4.78, "LE": 0.226, "potency_term": 0.058, "efficiency_cap": 0.753}, "selectivity": {"fold": 5.0, "selectivity_term": 0.352, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.775, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.345716581242279, "aff_pf": 1.2192973295847576, "aff_hs": 1.922444224357605, "repeats_pf": {"runs": 3, "values": [1.2198, 1.1707, 1.2674], "mean": 1.2193, "spread": 0.0967}, "repeats_hs": {"runs": 3, "values": [1.9051, 1.9564, 1.9058], "mean": 1.9224, "spread": 0.0513}, "at": 1789076719}, "tier": 1, "alerts": [], "total_sd": 0.049, "total_ci95": [20.212, 20.407], "relegate_reason": [], "submitted_at": 1789046014, "scored_at": 1789076719, "rank": 4980}, {"candidate_id": "ODC-621DFD", "res_at": 1787650128, "skeleton": "HNQJQQFXHHKFAC", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c([C··········C1CC1", "total": 20.282, "axes": {"activity": 10.48, "binding": 4.34, "selectivity": 0.17, "admet": 2.55, "novelty": 1.36, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 5.65, "LE": 0.31, "potency_term": 0.217, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.217}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.527, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.054, "dili": 0.509}}, "novelty": {"max_tanimoto": 0.609, "novelty": 0.391}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.228882031170908, "aff_pf": 0.34880566596984863, "aff_hs": 0.4292736351490021, "repeats_pf": {"runs": 3, "values": [0.3044, 0.3562, 0.3859], "mean": 0.3488, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [0.4684, 0.525, 0.2944], "mean": 0.4293, "spread": 0.2306}, "at": 1787650128}, "tier": 1, "relegate_reason": [], "submitted_at": 1787643678, "scored_at": 1787650128, "alerts": [], "rank": 4981}, {"candidate_id": "ODC-3D2C5A", "res_at": 1786884103, "skeleton": "JOUCLMYPFFECEO", "hf_user": "araai", "display_name": "ARA", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········F)c12", "total": 20.268, "axes": {"activity": 6.64, "binding": 6.41, "selectivity": 1.88, "admet": 1.62, "novelty": 2.26, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 4.998, "fraction": 0.221}, "binding": {"pIC50": 5.99, "LE": 0.293, "potency_term": 0.328, "efficiency_cap": 0.976}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.445, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.524, "herg": 0.051, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 4.998383731697291, "aff_pf": 0.014616906642913818, "aff_hs": 0.5873100360234579, "repeats_pf": {"runs": 3, "values": [-0.1493, 0.1006, 0.0925], "mean": 0.0146, "spread": 0.2499}, "repeats_hs": {"runs": 3, "values": [0.6812, 0.6548, 0.4259], "mean": 0.5873, "spread": 0.2553}, "at": 1786884103}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875167, "scored_at": 1786884103, "alerts": [], "rank": 4982}, {"candidate_id": "ODC-6BE076", "res_at": 1789486798, "skeleton": "SITHDLLQUJOZKY", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCC(N)c··········Cl)c1", "total": 20.261, "axes": {"activity": 5.63, "binding": 6.13, "selectivity": 2.64, "admet": 2.41, "novelty": 2.14, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 4.938, "fraction": 0.188}, "binding": {"pIC50": 5.92, "LE": 0.338, "potency_term": 0.307, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.43, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.466, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.537, "herg": 0.873, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 4.937994289384452, "aff_pf": 0.07975606868664424, "aff_hs": 0.9389593601226807, "repeats_pf": {"runs": 3, "values": [0.0557, -0.0133, 0.1968], "mean": 0.0798, "spread": 0.2101}, "repeats_hs": {"runs": 3, "values": [0.9035, 0.9525, 0.9609], "mean": 0.939, "spread": 0.0574}, "at": 1789486798}, "tier": 1, "alerts": [], "total_sd": 0.912, "total_ci95": [18.087, 21.934], "relegate_reason": [], "submitted_at": 1789483882, "scored_at": 1789486798, "rank": 4983}, {"candidate_id": "ODC-9E4DAB", "res_at": 1787050065, "skeleton": "LTISGYIPEFLHDN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········32)s1", "total": 20.258, "axes": {"activity": 11.19, "binding": 3.47, "selectivity": 0.8, "admet": 1.61, "novelty": 1.33, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.271, "fraction": 0.373}, "binding": {"pIC50": 5.63, "LE": 0.249, "potency_term": 0.209, "efficiency_cap": 0.829}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.209}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.434, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.413, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.644, "novelty": 0.356}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 5.271457052739451, "aff_pf": 0.3726482093334198, "aff_hs": 0.7551670471827189, "repeats_pf": {"runs": 3, "values": [0.1381, 0.4044, 0.5755], "mean": 0.3726, "spread": 0.4374}, "repeats_hs": {"runs": 3, "values": [1.0357, 0.6083, 0.6215], "mean": 0.7552, "spread": 0.4274}, "at": 1787050065}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044926, "scored_at": 1787050065, "alerts": [], "rank": 4984}, {"candidate_id": "ODC-78B57A", "res_at": 1787286249, "skeleton": "LOUAQHHIIUZMOZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········)cc1F", "total": 20.252, "axes": {"activity": 11.3, "binding": 1.4, "selectivity": 0.0, "admet": 3.46, "novelty": 2.66, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.278, "fraction": 0.377}, "binding": {"pIC50": 5.22, "LE": 0.286, "potency_term": 0.074, "efficiency_cap": 0.954}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.074}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.577, "caco2-wang": 0.923, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.966, "cyp3a4-substrate-carbonmangels": 0.133, "ld50-zhu": 0.6, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.278000213390829, "aff_pf": 0.7792162100474039, "aff_hs": 0.7282620668411255, "repeats_pf": {"runs": 3, "values": [0.8251, 0.7208, 0.7917], "mean": 0.7792, "spread": 0.1043}, "repeats_hs": {"runs": 3, "values": [0.6334, 0.8046, 0.7468], "mean": 0.7283, "spread": 0.1711}, "at": 1787286249}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286056, "scored_at": 1787286249, "alerts": [], "rank": 4985}, {"candidate_id": "ODC-7C8CF8", "res_at": 1787197113, "skeleton": "LCDOASREIVGXFN", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 20.25, "axes": {"activity": 9.74, "binding": 4.14, "selectivity": 0.43, "admet": 2.69, "novelty": 2.13, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.184, "fraction": 0.325}, "binding": {"pIC50": 5.65, "LE": 0.287, "potency_term": 0.216, "efficiency_cap": 0.955}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.216}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.584, "cyp3a4-substrate-carbonmangels": 0.935, "ld50-zhu": 0.755, "herg": 0.131, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.184117865325671, "aff_pf": 0.35075021783510846, "aff_hs": 0.5503210226694742, "repeats_pf": {"runs": 3, "values": [0.3751, 0.3208, 0.3564], "mean": 0.3508, "spread": 0.0543}, "repeats_hs": {"runs": 3, "values": [0.6057, 0.5166, 0.5287], "mean": 0.5503, "spread": 0.0891}, "at": 1787197113}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192753, "scored_at": 1787197113, "alerts": [], "rank": 4986}, {"candidate_id": "ODC-E2E106", "res_at": 1786970257, "skeleton": "CYMVEJAYWISEMT", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "gemini", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········n2)C1", "total": 20.247, "axes": {"activity": 11.09, "binding": 0.97, "selectivity": 0.0, "admet": 4.06, "novelty": 2.48, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 5.15, "LE": 0.32, "potency_term": 0.049, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.049}, "admet": {"geometric_mean": 0.733, "per_endpoint": {"solubility-aqsoldb": 0.745, "caco2-wang": 0.959, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.607, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.265493246325484, "aff_pf": 0.854177713394165, "aff_hs": 0.5357186098893484, "repeats_pf": {"runs": 3, "values": [0.6341, 0.9212, 1.0073], "mean": 0.8542, "spread": 0.3732}, "repeats_hs": {"runs": 3, "values": [0.4426, 0.4954, 0.6692], "mean": 0.5357, "spread": 0.2266}, "at": 1786970257}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968892, "scored_at": 1786970257, "alerts": [], "rank": 4987}, {"candidate_id": "ODC-B6F816", "res_at": 1787385415, "skeleton": "SWVKFMPDKIPETP", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5 M9-3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCn1c··········2c1=O", "total": 20.237, "axes": {"activity": 5.41, "binding": 8.75, "selectivity": 0.0, "admet": 2.75, "novelty": 1.38, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 4.924, "fraction": 0.18}, "binding": {"pIC50": 6.31, "LE": 0.32, "potency_term": 0.437, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.437}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.478, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.331, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.204}}, "novelty": {"max_tanimoto": 0.683, "novelty": 0.317}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.924342847815077, "aff_pf": -0.3118292490641276, "aff_hs": -0.3575967152913411, "repeats_pf": {"runs": 3, "values": [-0.3277, -0.3611, -0.2466], "mean": -0.3118, "spread": 0.1145}, "repeats_hs": {"runs": 3, "values": [-0.3362, -0.4025, -0.3341], "mean": -0.3576, "spread": 0.0684}, "at": 1787385415}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383314, "scored_at": 1787385415, "alerts": [], "rank": 4988}, {"candidate_id": "ODC-8F2859", "res_at": 1787199640, "skeleton": "QRYWHIOMZZUMQL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-05-F-Cl-B", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········l)c1F", "total": 20.234, "axes": {"activity": 10.41, "binding": 3.4, "selectivity": 0.0, "admet": 2.7, "novelty": 2.54, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.224, "fraction": 0.347}, "binding": {"pIC50": 5.53, "LE": 0.291, "potency_term": 0.175, "efficiency_cap": 0.97}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.943, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.588, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.224374344206978, "aff_pf": 0.4747210542360942, "aff_hs": -0.07727325956026714, "repeats_pf": {"runs": 3, "values": [0.4883, 0.4893, 0.4466], "mean": 0.4747, "spread": 0.0427}, "repeats_hs": {"runs": 3, "values": [-0.0403, -0.1124, -0.0791], "mean": -0.0773, "spread": 0.0721}, "at": 1787199640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195531, "scored_at": 1787199640, "alerts": [], "rank": 4989}, {"candidate_id": "ODC-C96D15", "res_at": 1789966568, "skeleton": "YXGFGJWYFHAVFJ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)c2n1", "total": 20.231, "axes": {"activity": 12.44, "binding": 0.42, "selectivity": 0.0, "admet": 3.0, "novelty": 2.5, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.347, "fraction": 0.415}, "binding": {"pIC50": 4.58, "LE": 0.179, "potency_term": 0.035, "efficiency_cap": 0.598}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.769, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 0.711, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.398, "novelty": 0.602}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 5.3466349884687, "aff_pf": 1.4200834035873413, "aff_hs": 1.2176566123962402, "repeats_pf": {"runs": 3, "values": [1.39, 1.422, 1.4483], "mean": 1.4201, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [1.4378, 1.1006, 1.1146], "mean": 1.2177, "spread": 0.3371}, "at": 1789966568}, "tier": 1, "alerts": [], "total_sd": 0.016, "total_ci95": [20.2, 20.266], "relegate_reason": [], "submitted_at": 1789910877, "scored_at": 1789966568, "rank": 4990}, {"candidate_id": "ODC-2CAEAD", "res_at": 1787618581, "skeleton": "WDJTWPSCUQUNEJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········c2)s1", "total": 20.222, "axes": {"activity": 10.23, "binding": 4.37, "selectivity": 0.74, "admet": 1.42, "novelty": 1.78, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.214, "fraction": 0.341}, "binding": {"pIC50": 5.84, "LE": 0.235, "potency_term": 0.279, "efficiency_cap": 0.784}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.279}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.388, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.646, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.379}}, "novelty": {"max_tanimoto": 0.478, "novelty": 0.522}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.21404423439204, "aff_pf": 0.16347342481215796, "aff_hs": 0.4283385177453359, "repeats_pf": {"runs": 3, "values": [0.0787, 0.369, 0.0427], "mean": 0.1635, "spread": 0.3263}, "repeats_hs": {"runs": 3, "values": [0.3956, 0.6043, 0.2851], "mean": 0.4283, "spread": 0.3192}, "at": 1787618581}, "tier": 1, "relegate_reason": [], "submitted_at": 1787618221, "scored_at": 1787618581, "alerts": [], "rank": 4991}, {"candidate_id": "ODC-9E3B82", "res_at": 1788090201, "skeleton": "FJPYIGFOOCCFHK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········c2n1C", "total": 20.21, "axes": {"activity": 5.84, "binding": 6.41, "selectivity": 1.51, "admet": 2.73, "novelty": 2.18, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 4.951, "fraction": 0.195}, "binding": {"pIC50": 5.96, "LE": 0.34, "potency_term": 0.321, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.321}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.993, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.332, "cyp3a4-substrate-carbonmangels": 0.49, "ld50-zhu": 0.61, "herg": 0.383, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 4.950604684436866, "aff_pf": 0.03815516332785288, "aff_hs": 0.5106234550476074, "repeats_pf": {"runs": 3, "values": [0.0125, 0.0257, 0.0762], "mean": 0.0382, "spread": 0.0637}, "repeats_hs": {"runs": 3, "values": [0.4837, 0.523, 0.5252], "mean": 0.5106, "spread": 0.0414}, "at": 1788090201}, "tier": 1, "alerts": [], "total_sd": 0.281, "total_ci95": [19.565, 20.675], "relegate_reason": [], "submitted_at": 1788080534, "scored_at": 1788090201, "rank": 4992}, {"candidate_id": "ODC-60D826", "res_at": 1786893146, "skeleton": "WZQXRFPESRAYNZ", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 20.194, "axes": {"activity": 11.54, "binding": 3.45, "selectivity": 0.0, "admet": 2.93, "novelty": 0.93, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.292, "fraction": 0.385}, "binding": {"pIC50": 5.53, "LE": 0.292, "potency_term": 0.178, "efficiency_cap": 0.972}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.178}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.857, "caco2-wang": 0.639, "hia-hou": 1.0, "bioavailability-ma": 0.354, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.643, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.759, "novelty": 0.241}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "2", "pAct_q10": 5.292420067652111, "aff_pf": 0.4673648774623871, "aff_hs": -0.4012371202309926, "repeats_pf": {"runs": 3, "values": [1.0048, 0.0763, 0.3209], "mean": 0.4674, "spread": 0.9285}, "repeats_hs": {"runs": 3, "values": [-0.38, -0.4116, -0.4121], "mean": -0.4012, "spread": 0.0321}, "at": 1786893146}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886468, "scored_at": 1786893146, "alerts": [], "rank": 4993}, {"candidate_id": "ODC-7E0C1B", "res_at": 1787376075, "skeleton": "NASFSPMHSOEYNO", "hf_user": "1Dmeds", "display_name": "ODC26-G08", "model_name": "Claude Opus 5 + Codex/Fable", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········CCCC1", "total": 20.194, "axes": {"activity": 10.81, "binding": 2.41, "selectivity": 1.25, "admet": 1.55, "novelty": 2.55, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.36}, "binding": {"pIC50": 5.48, "LE": 0.227, "potency_term": 0.159, "efficiency_cap": 0.758}, "selectivity": {"fold": 6.1, "selectivity_term": 0.394, "target_engagement": 0.159}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.93, "herg": 0.05, "dili": 0.543}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 5.248847420267736, "aff_pf": 0.523463765780131, "aff_hs": 1.3119778434435527, "repeats_pf": {"runs": 3, "values": [0.5515, 0.1952, 0.8238], "mean": 0.5235, "spread": 0.6286}, "repeats_hs": {"runs": 3, "values": [1.5336, 0.9443, 1.458], "mean": 1.312, "spread": 0.5893}, "at": 1787376075}, "tier": 1, "relegate_reason": [], "submitted_at": 1787372691, "scored_at": 1787376075, "alerts": [], "rank": 4994}, {"candidate_id": "ODC-5241FE", "res_at": 1786861051, "skeleton": "OIKAFCNSMKUYRB", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 20.193, "axes": {"activity": 8.45, "binding": 6.11, "selectivity": 1.6, "admet": 2.11, "novelty": 0.48, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.107, "fraction": 0.282}, "binding": {"pIC50": 5.92, "LE": 0.324, "potency_term": 0.305, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.305}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.49, "cyp2c9-veith": 0.847, "cyp3a4-substrate-carbonmangels": 0.117, "ld50-zhu": 0.566, "herg": 0.359, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.844, "novelty": 0.156}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 5.107241418213622, "aff_pf": 0.08372753486037254, "aff_hs": 0.6067592899004618, "repeats_pf": {"runs": 3, "values": [-0.0374, 0.3556, -0.067], "mean": 0.0837, "spread": 0.4226}, "repeats_hs": {"runs": 3, "values": [0.582, 0.6179, 0.6204], "mean": 0.6068, "spread": 0.0385}, "at": 1786861051}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850304, "scored_at": 1786861051, "alerts": [], "rank": 4995}, {"candidate_id": "ODC-FE0934", "res_at": 1789495812, "skeleton": "WAIFHNZWUUSLKU", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)c1F", "total": 20.182, "axes": {"activity": 0.61, "binding": 10.43, "selectivity": 0.0, "admet": 2.77, "novelty": 3.76, "synthesis": 2.61}, "detail": {"activity": {"pAct_q10": 4.637, "fraction": 0.02}, "binding": {"pIC50": 6.56, "LE": 0.31, "potency_term": 0.522, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.522}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.113, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 4.636765365189037, "aff_pf": -0.5647491812705994, "aff_hs": -0.9696681698163351, "repeats_pf": {"runs": 3, "values": [-0.6074, -0.6224, -0.4645], "mean": -0.5647, "spread": 0.158}, "repeats_hs": {"runs": 3, "values": [-0.9809, -1.0441, -0.884], "mean": -0.9697, "spread": 0.1601}, "at": 1789495812}, "tier": 1, "alerts": [], "total_sd": 0.502, "total_ci95": [19.524, 20.903], "relegate_reason": [], "submitted_at": 1789490765, "scored_at": 1789495812, "rank": 4996}, {"candidate_id": "ODC-1FE89D", "res_at": 1789920650, "skeleton": "VHZMWNDAXHHVGO", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 20.171, "axes": {"activity": 11.43, "binding": 3.21, "selectivity": 0.0, "admet": 1.52, "novelty": 2.1, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 5.286, "fraction": 0.381}, "binding": {"pIC50": 5.65, "LE": 0.221, "potency_term": 0.218, "efficiency_cap": 0.738}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "2", "pAct_q10": 5.285920082356967, "aff_pf": 0.3466636339823405, "aff_hs": 0.027224592864513397, "repeats_pf": {"runs": 3, "values": [0.3066, 0.4786, 0.2547], "mean": 0.3467, "spread": 0.2239}, "repeats_hs": {"runs": 3, "values": [0.0712, -0.1099, 0.1204], "mean": 0.0272, "spread": 0.2304}, "at": 1789920650}, "tier": 1, "alerts": [], "total_sd": 0.292, "total_ci95": [19.767, 20.683], "relegate_reason": [], "submitted_at": 1789907328, "scored_at": 1789920650, "rank": 4997}, {"candidate_id": "ODC-4008F1", "res_at": 1786834399, "skeleton": "HKLSTEBDTOBSGC", "hf_user": "SEOBAEK", "display_name": "SEOBAEK-Skkima-Run001R-CAND01", "model_name": "Skkima + Gemini 3.6 Flash (High)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 20.16, "axes": {"activity": 9.64, "binding": 4.84, "selectivity": 0.71, "admet": 1.22, "novelty": 2.14, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.178, "fraction": 0.321}, "binding": {"pIC50": 5.77, "LE": 0.282, "potency_term": 0.257, "efficiency_cap": 0.941}, "selectivity": {"fold": 1.9, "selectivity_term": 0.139, "target_engagement": 0.257}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.425, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.905, "ld50-zhu": 0.658, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "2", "pAct_q10": 5.178261885044407, "aff_pf": 0.22830346475044885, "aff_hs": 0.5055209894975027, "repeats_pf": {"runs": 3, "values": [0.122, 0.2249, 0.338], "mean": 0.2283, "spread": 0.216}, "repeats_hs": {"runs": 3, "values": [0.4886, 0.4828, 0.5451], "mean": 0.5055, "spread": 0.0623}, "at": 1786834399}, "tier": 1, "relegate_reason": [], "submitted_at": 1786802266, "scored_at": 1786834399, "alerts": [], "rank": 4998}, {"candidate_id": "ODC-9FFB27", "res_at": 1789930400, "skeleton": "YOFWPDYKIZIDBZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········nc2c1", "total": 20.148, "axes": {"activity": 9.49, "binding": 3.96, "selectivity": 1.0, "admet": 2.46, "novelty": 1.65, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.169, "fraction": 0.316}, "binding": {"pIC50": 5.67, "LE": 0.268, "potency_term": 0.222, "efficiency_cap": 0.892}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.222}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.929, "cyp3a4-substrate-carbonmangels": 0.257, "ld50-zhu": 0.337, "herg": 0.611, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.477, "novelty": 0.523}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "0", "pAct_q10": 5.169412560844055, "aff_pf": 0.33497729897499084, "aff_hs": 0.7875504493713379, "repeats_pf": {"runs": 3, "values": [0.3148, 0.3346, 0.3556], "mean": 0.335, "spread": 0.0408}, "repeats_hs": {"runs": 3, "values": [0.8396, 0.6908, 0.8322], "mean": 0.7876, "spread": 0.1488}, "at": 1789930400}, "tier": 1, "alerts": [], "total_sd": 0.13, "total_ci95": [19.9, 20.397], "relegate_reason": [], "submitted_at": 1789778659, "scored_at": 1789930400, "rank": 4999}, {"candidate_id": "ODC-AB739E", "res_at": 1787142897, "skeleton": "YLMPCKDYBHCDDQ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 20.123, "axes": {"activity": 1.36, "binding": 9.04, "selectivity": 3.77, "admet": 3.7, "novelty": 0.0, "synthesis": 2.26}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.045}, "binding": {"pIC50": 6.36, "LE": 0.415, "potency_term": 0.452, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.417, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.454, "caco2-wang": 0.953, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.83, "cyp3a4-substrate-carbonmangels": 0.323, "ld50-zhu": 0.319, "herg": 0.438, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 4.681655668141697, "aff_pf": -0.35546556611855823, "aff_hs": 0.47923600673675537, "repeats_pf": {"runs": 3, "values": [-0.2039, -0.5727, -0.2898], "mean": -0.3555, "spread": 0.3689}, "repeats_hs": {"runs": 3, "values": [0.4179, 0.4844, 0.5354], "mean": 0.4792, "spread": 0.1176}, "at": 1787142897}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142707, "scored_at": 1787142897, "alerts": [], "rank": 5000}, {"candidate_id": "ODC-EA7398", "res_at": 1786968669, "skeleton": "RHNPAXPXJMRBAT", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1ccc··········2c1=O", "total": 20.117, "axes": {"activity": 10.86, "binding": 3.35, "selectivity": 1.12, "admet": 2.28, "novelty": 1.4, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 5.57, "LE": 0.263, "potency_term": 0.191, "efficiency_cap": 0.877}, "selectivity": {"fold": 3.8, "selectivity_term": 0.293, "target_engagement": 0.191}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.27, "cyp2c9-veith": 0.351, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.967, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.612, "novelty": 0.388}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "3", "pAct_q10": 5.2514905319383205, "aff_pf": 0.42800352970759076, "aff_hs": 1.0134392579396565, "repeats_pf": {"runs": 3, "values": [0.3619, 0.4929, 0.4292], "mean": 0.428, "spread": 0.131}, "repeats_hs": {"runs": 3, "values": [0.849, 1.1286, 1.0628], "mean": 1.0134, "spread": 0.2796}, "at": 1786968669}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968371, "scored_at": 1786968669, "alerts": [], "rank": 5001}, {"candidate_id": "ODC-ECA853", "res_at": 1786940547, "skeleton": "FZQWOTVAOHXSMF", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········C1CC1", "total": 20.113, "axes": {"activity": 10.12, "binding": 3.74, "selectivity": 0.44, "admet": 2.43, "novelty": 1.86, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.207, "fraction": 0.337}, "binding": {"pIC50": 5.56, "LE": 0.305, "potency_term": 0.187, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.117, "target_engagement": 0.187}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.095, "cyp3a4-substrate-carbonmangels": 0.094, "ld50-zhu": 0.806, "herg": 0.325, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 5.20709058638552, "aff_pf": 0.43913621703783673, "aff_hs": 0.6739502946535746, "repeats_pf": {"runs": 3, "values": [0.4746, 0.4641, 0.3787], "mean": 0.4391, "spread": 0.0958}, "repeats_hs": {"runs": 3, "values": [0.6554, 0.5736, 0.7929], "mean": 0.674, "spread": 0.2192}, "at": 1786940547}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930349, "scored_at": 1786940547, "alerts": [], "rank": 5002}, {"candidate_id": "ODC-489236", "res_at": 1787699491, "skeleton": "LFFMAKRYPXOMRD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)cc1F", "total": 20.096, "axes": {"activity": 2.5, "binding": 8.37, "selectivity": 1.11, "admet": 3.21, "novelty": 2.95, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 4.75, "fraction": 0.083}, "binding": {"pIC50": 6.26, "LE": 0.343, "potency_term": 0.419, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.419}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.822, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.128, "ld50-zhu": 0.549, "herg": 0.917, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 4.749922185590989, "aff_pf": -0.2559942901134491, "aff_hs": 0.008694201707839966, "repeats_pf": {"runs": 3, "values": [-0.3101, -0.2781, -0.1798], "mean": -0.256, "spread": 0.1303}, "repeats_hs": {"runs": 3, "values": [-0.2739, 0.2083, 0.0918], "mean": 0.0087, "spread": 0.4822}, "at": 1787699491}, "tier": 1, "relegate_reason": [], "submitted_at": 1787699315, "scored_at": 1787699491, "alerts": [], "rank": 5003}, {"candidate_id": "ODC-888606", "res_at": 1787255447, "skeleton": "IJHGHVJIQSCXIA", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-H01", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)cc1F", "total": 20.087, "axes": {"activity": 6.56, "binding": 6.34, "selectivity": 1.5, "admet": 2.03, "novelty": 2.07, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 4.994, "fraction": 0.219}, "binding": {"pIC50": 5.95, "LE": 0.326, "potency_term": 0.317, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.427, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.875, "cyp2c9-veith": 0.49, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 4.993850296136432, "aff_pf": 0.04956063131491343, "aff_hs": 0.5234589576721191, "repeats_pf": {"runs": 3, "values": [0.0718, 0.0432, 0.0337], "mean": 0.0496, "spread": 0.0381}, "repeats_hs": {"runs": 3, "values": [0.542, 0.4585, 0.5699], "mean": 0.5235, "spread": 0.1113}, "at": 1787255447}, "tier": 1, "relegate_reason": [], "submitted_at": 1787248355, "scored_at": 1787255447, "alerts": [], "rank": 5004}, {"candidate_id": "ODC-6D2382", "res_at": 1789173972, "skeleton": "DCIVZGUPCCNIPJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 20.082, "axes": {"activity": 10.89, "binding": 2.87, "selectivity": 0.28, "admet": 2.47, "novelty": 1.95, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.254, "fraction": 0.363}, "binding": {"pIC50": 5.43, "LE": 0.31, "potency_term": 0.143, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.099, "target_engagement": 0.143}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.772, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.705, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 5.253662300357542, "aff_pf": 0.5695312221844991, "aff_hs": 0.7668039004007975, "repeats_pf": {"runs": 3, "values": [0.5264, 0.6231, 0.5591], "mean": 0.5695, "spread": 0.0968}, "repeats_hs": {"runs": 3, "values": [0.7745, 0.7711, 0.7549], "mean": 0.7668, "spread": 0.0196}, "at": 1789173972}, "tier": 1, "alerts": [], "total_sd": 0.188, "total_ci95": [19.802, 20.464], "relegate_reason": [], "submitted_at": 1789173609, "scored_at": 1789173972, "rank": 5005}, {"candidate_id": "ODC-91A6B0", "res_at": 1788972373, "skeleton": "ALHYMSNITPVOAY", "hf_user": "trblnfxn", "display_name": "NC-TZP-01_MP", "model_name": "Hermes-TZP-Core-v2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)nn12", "total": 20.063, "axes": {"activity": 9.81, "binding": 3.35, "selectivity": 1.06, "admet": 2.31, "novelty": 2.11, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.189, "fraction": 0.327}, "binding": {"pIC50": 5.59, "LE": 0.255, "potency_term": 0.197, "efficiency_cap": 0.851}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.197}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.399, "cyp3a4-substrate-carbonmangels": 0.934, "ld50-zhu": 0.497, "herg": 0.136, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 5.188548050085502, "aff_pf": 0.4087468981742859, "aff_hs": 0.945687492688497, "repeats_pf": {"runs": 3, "values": [0.6, 0.3507, 0.2755], "mean": 0.4087, "spread": 0.3245}, "repeats_hs": {"runs": 3, "values": [0.9344, 0.8897, 1.0129], "mean": 0.9457, "spread": 0.1232}, "at": 1788972373}, "tier": 1, "alerts": [], "total_sd": 0.786, "total_ci95": [18.303, 21.356], "relegate_reason": [], "submitted_at": 1788969086, "scored_at": 1788972373, "rank": 5006}, {"candidate_id": "ODC-A692EB", "res_at": 1787207912, "skeleton": "YRBYUYTXCSLBFK", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "C=C(C)c··········2)nc1", "total": 20.055, "axes": {"activity": 12.28, "binding": 0.96, "selectivity": 0.0, "admet": 2.37, "novelty": 2.52, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.337, "fraction": 0.409}, "binding": {"pIC50": 5.19, "LE": 0.222, "potency_term": 0.065, "efficiency_cap": 0.741}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.065}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.51, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.607, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.336762872229941, "aff_pf": 0.8055089116096497, "aff_hs": 0.762215773264567, "repeats_pf": {"runs": 3, "values": [0.7271, 0.8391, 0.8503], "mean": 0.8055, "spread": 0.1233}, "repeats_hs": {"runs": 3, "values": [0.6529, 1.018, 0.6157], "mean": 0.7622, "spread": 0.4023}, "at": 1787207912}, "tier": 1, "relegate_reason": [], "submitted_at": 1787204745, "scored_at": 1787207912, "alerts": [], "rank": 5007}, {"candidate_id": "ODC-53F481", "res_at": 1787232978, "skeleton": "DWTHWWJBJSXPIU", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 20.044, "axes": {"activity": 13.05, "binding": 0.26, "selectivity": 0.0, "admet": 1.79, "novelty": 2.92, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.383, "fraction": 0.435}, "binding": {"pIC50": 5.06, "LE": 0.198, "potency_term": 0.019, "efficiency_cap": 0.66}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.33, "novelty": 0.67}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.383071849741668, "aff_pf": 0.941837747891744, "aff_hs": 0.7840528090794882, "repeats_pf": {"runs": 3, "values": [1.0857, 0.8479, 0.8919], "mean": 0.9418, "spread": 0.2378}, "repeats_hs": {"runs": 3, "values": [0.7832, 0.8255, 0.7434], "mean": 0.7841, "spread": 0.0821}, "at": 1787232978}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231921, "scored_at": 1787232978, "alerts": [], "rank": 5008}, {"candidate_id": "ODC-1FC10B", "res_at": 1786846351, "skeleton": "IHSIPRRXCPRHEJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)ccnc2n1-c1ccc(C(=O)NC2CC2)o1", "smiles_masked": null, "total": 20.04, "axes": {"activity": 4.86, "binding": 6.82, "selectivity": 2.29, "admet": 2.83, "novelty": 1.73, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 4.891, "fraction": 0.162}, "binding": {"pIC50": 6.02, "LE": 0.359, "potency_term": 0.341, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.341}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.62, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.432, "herg": 0.279, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 4.891485907359901, "aff_pf": -0.022719440360864002, "aff_hs": 0.647722860177358, "repeats_pf": {"runs": 3, "values": [0.0689, -0.0747, -0.0624], "mean": -0.0227, "spread": 0.1435}, "repeats_hs": {"runs": 3, "values": [0.6592, 0.6492, 0.6347], "mean": 0.6477, "spread": 0.0245}, "at": 1786846351}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845801, "scored_at": 1786846351, "alerts": [], "rank": 5009}, {"candidate_id": "ODC-B173DC", "res_at": 1788056425, "skeleton": "SSPVZTHPXCHXTF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[Se]c1··········3)cc1", "total": 20.031, "axes": {"activity": 11.25, "binding": 1.92, "selectivity": 0.81, "admet": 2.97, "novelty": 1.9, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.275, "fraction": 0.375}, "binding": {"pIC50": 5.37, "LE": 0.237, "potency_term": 0.122, "efficiency_cap": 0.79}, "selectivity": {"fold": 4.7, "selectivity_term": 0.334, "target_engagement": 0.122}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.723, "caco2-wang": 0.425, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.869, "cyp3a4-substrate-carbonmangels": 0.256, "ld50-zhu": 0.421, "herg": 0.107, "dili": 0.169}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 3.82}}, "run": {"gpu": "0", "pAct_q10": 5.275298135302923, "aff_pf": 0.634821613629659, "aff_hs": 1.3034987847010295, "repeats_pf": {"runs": 3, "values": [0.6608, 0.4161, 0.8276], "mean": 0.6348, "spread": 0.4114}, "repeats_hs": {"runs": 3, "values": [1.5371, 1.1474, 1.226], "mean": 1.3035, "spread": 0.3897}, "at": 1788056425}, "tier": 1, "alerts": ["이례원소_Se"], "total_sd": 0.915, "total_ci95": [18.427, 22.273], "relegate_reason": [], "submitted_at": 1788007099, "scored_at": 1788056425, "rank": 5010}, {"candidate_id": "ODC-1D4442", "res_at": 1786991752, "skeleton": "AOYAGHGCQNCXEZ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(-··········cc1=O", "total": 20.027, "axes": {"activity": 6.57, "binding": 6.52, "selectivity": 0.92, "admet": 1.99, "novelty": 2.44, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 4.994, "fraction": 0.219}, "binding": {"pIC50": 5.98, "LE": 0.328, "potency_term": 0.326, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.963, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.356, "herg": 0.089, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.254, "novelty": 0.746}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 4.993938651445435, "aff_pf": 0.02128646771113078, "aff_hs": 0.30424914757410687, "repeats_pf": {"runs": 3, "values": [0.24, -0.0743, -0.1018], "mean": 0.0213, "spread": 0.3417}, "repeats_hs": {"runs": 3, "values": [0.3531, 0.2379, 0.3217], "mean": 0.3042, "spread": 0.1153}, "at": 1786991752}, "tier": 1, "relegate_reason": [], "submitted_at": 1786991551, "scored_at": 1786991752, "alerts": [], "rank": 5011}, {"candidate_id": "ODC-38F29C", "res_at": 1787078612, "skeleton": "RMLZJPCBIBEJPJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Clc1cc(··········nc2n1", "total": 20.019, "axes": {"activity": 11.52, "binding": 2.94, "selectivity": 0.0, "admet": 1.34, "novelty": 2.65, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.291, "fraction": 0.384}, "binding": {"pIC50": 5.6, "LE": 0.219, "potency_term": 0.201, "efficiency_cap": 0.731}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.213, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.206, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "2", "pAct_q10": 5.291439996774242, "aff_pf": 0.39587632318337757, "aff_hs": 0.0733157644669215, "repeats_pf": {"runs": 3, "values": [0.2493, 0.4589, 0.4795], "mean": 0.3959, "spread": 0.2302}, "repeats_hs": {"runs": 3, "values": [0.1886, -0.0538, 0.0852], "mean": 0.0733, "spread": 0.2424}, "at": 1787078612}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066978, "scored_at": 1787078612, "alerts": [], "rank": 5012}, {"candidate_id": "ODC-3D6E22", "res_at": 1788137092, "skeleton": "SCZQNAHMLGHDOP", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-05]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········3)cc1", "total": 20.018, "axes": {"activity": 6.69, "binding": 6.04, "selectivity": 2.11, "admet": 2.25, "novelty": 1.57, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.001, "fraction": 0.223}, "binding": {"pIC50": 5.91, "LE": 0.311, "potency_term": 0.302, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.349, "target_engagement": 0.302}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.384, "cyp3a4-substrate-carbonmangels": 0.866, "ld50-zhu": 0.565, "herg": 0.225, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.0011442453862, "aff_pf": 0.09417607386906941, "aff_hs": 0.7930180430412292, "repeats_pf": {"runs": 3, "values": [0.0718, 0.0669, 0.1438], "mean": 0.0942, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [0.7952, 0.7628, 0.8211], "mean": 0.793, "spread": 0.0582}, "at": 1788137092}, "tier": 1, "alerts": [], "total_sd": 0.362, "total_ci95": [19.201, 20.538], "relegate_reason": [], "submitted_at": 1788136825, "scored_at": 1788137092, "rank": 5013}, {"candidate_id": "ODC-EA6008", "res_at": 1786911679, "skeleton": "AALZRKPZRZOLTF", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········Cl)c1", "total": 20.013, "axes": {"activity": 1.14, "binding": 8.23, "selectivity": 3.22, "admet": 2.8, "novelty": 2.57, "synthesis": 2.06}, "detail": {"activity": {"pAct_q10": 4.668, "fraction": 0.038}, "binding": {"pIC50": 6.23, "LE": 0.427, "potency_term": 0.411, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.391, "target_engagement": 0.411}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.207, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.48, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.04}}, "run": {"gpu": "3", "pAct_q10": 4.66812867514757, "aff_pf": -0.23407837748527527, "aff_hs": 0.5486989915370941, "repeats_pf": {"runs": 3, "values": [-0.2024, -0.1278, -0.372], "mean": -0.2341, "spread": 0.2442}, "repeats_hs": {"runs": 3, "values": [0.5256, 0.4618, 0.6587], "mean": 0.5487, "spread": 0.1969}, "at": 1786911679}, "tier": 1, "relegate_reason": [], "submitted_at": 1786905921, "scored_at": 1786911679, "alerts": [], "rank": 5014}, {"candidate_id": "ODC-6DBEB0", "res_at": 1789074660, "skeleton": "SGQZYIBWLAYOQB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········2)nc1", "total": 20.013, "axes": {"activity": 9.0, "binding": 5.3, "selectivity": 1.07, "admet": 1.5, "novelty": 1.64, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.14, "fraction": 0.3}, "binding": {"pIC50": 5.91, "LE": 0.261, "potency_term": 0.304, "efficiency_cap": 0.871}, "selectivity": {"fold": 2.2, "selectivity_term": 0.176, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.531, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 5.139910069975166, "aff_pf": 0.08669225374857585, "aff_hs": 0.43814067045847577, "repeats_pf": {"runs": 3, "values": [0.078, 0.1455, 0.0365], "mean": 0.0867, "spread": 0.109}, "repeats_hs": {"runs": 3, "values": [0.4514, 0.7188, 0.1442], "mean": 0.4381, "spread": 0.5746}, "at": 1789074660}, "tier": 1, "alerts": [], "total_sd": 0.487, "total_ci95": [19.201, 20.868], "relegate_reason": [], "submitted_at": 1789045985, "scored_at": 1789074660, "rank": 5015}, {"candidate_id": "ODC-F657DD", "res_at": 1787060234, "skeleton": "MIFFPJURDIDIMX", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 20.004, "axes": {"activity": 9.43, "binding": 6.14, "selectivity": 0.0, "admet": 1.23, "novelty": 1.97, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.314}, "binding": {"pIC50": 6.12, "LE": 0.247, "potency_term": 0.374, "efficiency_cap": 0.822}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.374}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.275, "cyp2c9-veith": 0.071, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.876, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 5.165740091080443, "aff_pf": -0.12102419324219227, "aff_hs": -0.22908610105514526, "repeats_pf": {"runs": 3, "values": [-0.2194, -0.1264, -0.0173], "mean": -0.121, "spread": 0.202}, "repeats_hs": {"runs": 3, "values": [-0.2405, -0.2141, -0.2326], "mean": -0.2291, "spread": 0.0264}, "at": 1787060234}, "tier": 1, "relegate_reason": [], "submitted_at": 1787059771, "scored_at": 1787060234, "alerts": [], "rank": 5016}, {"candidate_id": "ODC-E17703", "res_at": 1786951255, "skeleton": "UASCMNSTHYTCLQ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "Claude Opus 4.8 + RDKit", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 19.968, "axes": {"activity": 1.22, "binding": 8.41, "selectivity": 4.35, "admet": 2.73, "novelty": 1.25, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 4.239, "fraction": 0.041}, "binding": {"pIC50": 6.26, "LE": 0.343, "potency_term": 0.421, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.421}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.137, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.489, "cyp3a4-substrate-carbonmangels": 0.453, "ld50-zhu": 0.445, "herg": 0.11, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.702, "novelty": 0.298}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "2", "pAct_q10": 4.238745089615597, "aff_pf": -0.26210345327854156, "aff_hs": 0.7724455793698629, "repeats_pf": {"runs": 3, "values": [-0.2355, -0.2583, -0.2925], "mean": -0.2621, "spread": 0.0569}, "repeats_hs": {"runs": 3, "values": [0.7307, 0.8091, 0.7775], "mean": 0.7724, "spread": 0.0785}, "at": 1786951255}, "tier": 1, "relegate_reason": [], "submitted_at": 1786945975, "scored_at": 1786951255, "alerts": [], "rank": 5017}, {"candidate_id": "ODC-5E03A4", "res_at": 1789999229, "skeleton": "JOWGKOVJYRJMCL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 19.967, "axes": {"activity": 9.85, "binding": 3.47, "selectivity": 1.35, "admet": 1.56, "novelty": 2.35, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 5.66, "LE": 0.235, "potency_term": 0.222, "efficiency_cap": 0.784}, "selectivity": {"fold": 4.1, "selectivity_term": 0.306, "target_engagement": 0.222}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.27, "ld50-zhu": 0.735, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.191271709778359, "aff_pf": 0.335497111082077, "aff_hs": 0.947115937868754, "repeats_pf": {"runs": 3, "values": [0.4002, 0.2299, 0.3764], "mean": 0.3355, "spread": 0.1702}, "repeats_hs": {"runs": 3, "values": [1.1657, 0.8674, 0.8082], "mean": 0.9471, "spread": 0.3576}, "at": 1789999229}, "tier": 1, "alerts": [], "total_sd": 0.503, "total_ci95": [19.166, 21.335], "relegate_reason": [], "submitted_at": 1789993193, "scored_at": 1789999229, "rank": 5018}, {"candidate_id": "ODC-28959A", "res_at": 1788867066, "skeleton": "FEYUFOJPPYIHLY", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-12", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cnc2··········3)n12", "total": 19.956, "axes": {"activity": 8.46, "binding": 5.28, "selectivity": 1.14, "admet": 2.05, "novelty": 1.85, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.108, "fraction": 0.282}, "binding": {"pIC50": 5.79, "LE": 0.345, "potency_term": 0.264, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.216, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.704, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.4, "herg": 0.71, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.107711564455383, "aff_pf": 0.20742902408043543, "aff_hs": 0.6400191386540731, "repeats_pf": {"runs": 3, "values": [0.3832, 0.2692, -0.0301], "mean": 0.2074, "spread": 0.4133}, "repeats_hs": {"runs": 3, "values": [0.6991, 0.5857, 0.6353], "mean": 0.64, "spread": 0.1133}, "at": 1788867066}, "tier": 1, "alerts": [], "total_sd": 1.356, "total_ci95": [18.203, 23.799], "relegate_reason": [], "submitted_at": 1788856928, "scored_at": 1788867066, "rank": 5019}, {"candidate_id": "ODC-05D620", "res_at": 1786942133, "skeleton": "UBFIVJVJLJJFHF", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1oc2··········1COC1", "total": 19.949, "axes": {"activity": 2.23, "binding": 7.59, "selectivity": 3.14, "admet": 2.5, "novelty": 2.87, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 4.482, "fraction": 0.074}, "binding": {"pIC50": 6.14, "LE": 0.336, "potency_term": 0.38, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.38}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.488, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.174, "cyp3a4-substrate-carbonmangels": 0.174, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 4.481826037055029, "aff_pf": -0.1389977435270945, "aff_hs": 0.6869746843973795, "repeats_pf": {"runs": 3, "values": [-0.1649, -0.1409, -0.1111], "mean": -0.139, "spread": 0.0538}, "repeats_hs": {"runs": 3, "values": [0.7901, 0.6022, 0.6686], "mean": 0.687, "spread": 0.1879}, "at": 1786942133}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933372, "scored_at": 1786942133, "alerts": [], "rank": 5020}, {"candidate_id": "ODC-FF0D94", "res_at": 1787126747, "skeleton": "LMYZVMCYMVUFLJ", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········C1CC1", "total": 19.947, "axes": {"activity": 9.44, "binding": 4.35, "selectivity": 0.25, "admet": 2.6, "novelty": 2.38, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.315}, "binding": {"pIC50": 5.68, "LE": 0.288, "potency_term": 0.227, "efficiency_cap": 0.961}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.227}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.665, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.442, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.522, "dili": 0.228}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "3", "pAct_q10": 5.166379449598347, "aff_pf": 0.3204766611258189, "aff_hs": 0.43301984667778015, "repeats_pf": {"runs": 3, "values": [0.2639, 0.2655, 0.432], "mean": 0.3205, "spread": 0.1681}, "repeats_hs": {"runs": 3, "values": [0.3739, 0.5013, 0.4239], "mean": 0.433, "spread": 0.1274}, "at": 1787126747}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108363, "scored_at": 1787126747, "alerts": [], "rank": 5021}, {"candidate_id": "ODC-840682", "res_at": 1788912818, "skeleton": "JUALKSHUTMBYLO", "hf_user": "Bio-JS", "display_name": "0909-S1-28", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)c··········)n2n1", "total": 19.921, "axes": {"activity": 8.28, "binding": 4.82, "selectivity": 1.89, "admet": 2.23, "novelty": 1.77, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 5.097, "fraction": 0.276}, "binding": {"pIC50": 5.72, "LE": 0.327, "potency_term": 0.241, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.393, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.621, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.961, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.317, "herg": 0.965, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.65}}, "run": {"gpu": "0", "pAct_q10": 5.096892852772167, "aff_pf": 0.277422492702802, "aff_hs": 1.0638448397318523, "repeats_pf": {"runs": 3, "values": [0.2319, 0.3264, 0.274], "mean": 0.2774, "spread": 0.0945}, "repeats_hs": {"runs": 3, "values": [1.2831, 0.9671, 0.9414], "mean": 1.0638, "spread": 0.3417}, "at": 1788912818}, "tier": 1, "alerts": [], "total_sd": 0.345, "total_ci95": [19.294, 20.667], "relegate_reason": [], "submitted_at": 1788902940, "scored_at": 1788912818, "rank": 5022}, {"candidate_id": "ODC-8AA8A8", "res_at": 1787471678, "skeleton": "QDKFOBZQCYEPJE", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········=O)c1", "total": 19.92, "axes": {"activity": 7.64, "binding": 6.09, "selectivity": 0.53, "admet": 2.24, "novelty": 2.13, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.059, "fraction": 0.255}, "binding": {"pIC50": 5.91, "LE": 0.324, "potency_term": 0.304, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.936, "cyp2c9-veith": 0.801, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.219, "herg": 0.285, "dili": 0.335}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.058581779213747, "aff_pf": 0.08661032219727834, "aff_hs": 0.26004183292388916, "repeats_pf": {"runs": 3, "values": [0.0777, 0.1214, 0.0608], "mean": 0.0866, "spread": 0.0606}, "repeats_hs": {"runs": 3, "values": [0.2859, 0.2716, 0.2226], "mean": 0.26, "spread": 0.0633}, "at": 1787471678}, "tier": 1, "relegate_reason": [], "submitted_at": 1787470935, "scored_at": 1787471678, "alerts": [], "rank": 5023}, {"candidate_id": "ODC-6FF114", "res_at": 1789275530, "skeleton": "OMOCRBRAQXIVPA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········cc1Cl", "total": 19.903, "axes": {"activity": 12.57, "binding": 0.33, "selectivity": 0.0, "admet": 2.36, "novelty": 3.13, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.354, "fraction": 0.419}, "binding": {"pIC50": 4.4, "LE": 0.223, "potency_term": 0.022, "efficiency_cap": 0.744}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.48, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.962, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.563, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "0", "pAct_q10": 5.354102431183777, "aff_pf": 1.6033429702123005, "aff_hs": 0.8711947600046793, "repeats_pf": {"runs": 3, "values": [1.5935, 1.6011, 1.6154], "mean": 1.6033, "spread": 0.0219}, "repeats_hs": {"runs": 3, "values": [0.8189, 0.9918, 0.8029], "mean": 0.8712, "spread": 0.189}, "at": 1789275530}, "tier": 1, "alerts": [], "total_sd": 0.004, "total_ci95": [19.897, 19.91], "relegate_reason": [], "submitted_at": 1789275339, "scored_at": 1789275530, "rank": 5024}, {"candidate_id": "ODC-3090E8", "res_at": 1787351613, "skeleton": "QMXXLEZXSWZREW", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 19.893, "axes": {"activity": 9.13, "binding": 5.77, "selectivity": 0.0, "admet": 1.94, "novelty": 1.93, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 6.01, "LE": 0.257, "potency_term": 0.336, "efficiency_cap": 0.857}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.336}, "admet": {"geometric_mean": 0.425, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.994, "cyp3a4-substrate-carbonmangels": 0.127, "ld50-zhu": 0.444, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.148077308812771, "aff_pf": -0.008719171086947123, "aff_hs": -0.5379442274570465, "repeats_pf": {"runs": 3, "values": [0.0084, 0.1498, -0.1843], "mean": -0.0087, "spread": 0.3341}, "repeats_hs": {"runs": 3, "values": [0.191, -1.0717, -0.7332], "mean": -0.5379, "spread": 1.2627}, "at": 1787351613}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347714, "scored_at": 1787351613, "alerts": [], "rank": 5025}, {"candidate_id": "ODC-4E2CEF", "res_at": 1788447053, "skeleton": "SBDKPUBNARTOMH", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 19.886, "axes": {"activity": 7.31, "binding": 5.56, "selectivity": 2.17, "admet": 1.8, "novelty": 1.65, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.038, "fraction": 0.244}, "binding": {"pIC50": 5.84, "LE": 0.297, "potency_term": 0.281, "efficiency_cap": 0.988}, "selectivity": {"fold": 5.9, "selectivity_term": 0.386, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.958, "cyp2c9-veith": 0.384, "cyp3a4-substrate-carbonmangels": 0.656, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "0", "pAct_q10": 5.0384080578476445, "aff_pf": 0.1559626112381617, "aff_hs": 0.9283771514892578, "repeats_pf": {"runs": 3, "values": [0.1962, -0.1544, 0.4261], "mean": 0.156, "spread": 0.5806}, "repeats_hs": {"runs": 3, "values": [0.7999, 0.8947, 1.0905], "mean": 0.9284, "spread": 0.2906}, "at": 1788447053}, "tier": 1, "alerts": [], "total_sd": 2.61, "total_ci95": [16.118, 25.994], "relegate_reason": [], "submitted_at": 1788380039, "scored_at": 1788447053, "rank": 5026}, {"candidate_id": "ODC-7A081B", "res_at": 1786950701, "skeleton": "IXKGQIQLPZFUSD", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········F)nn1", "total": 19.841, "axes": {"activity": 10.8, "binding": 2.07, "selectivity": 0.0, "admet": 2.7, "novelty": 2.67, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.248, "fraction": 0.36}, "binding": {"pIC50": 5.31, "LE": 0.303, "potency_term": 0.103, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.103}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.458, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.671}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.24771452107282, "aff_pf": 0.6895176768302917, "aff_hs": 0.5715829332669576, "repeats_pf": {"runs": 3, "values": [0.6347, 0.6684, 0.7655], "mean": 0.6895, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [0.4431, 0.6968, 0.5748], "mean": 0.5716, "spread": 0.2537}, "at": 1786950701}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942873, "scored_at": 1786950701, "alerts": [], "rank": 5027}, {"candidate_id": "ODC-989C48", "res_at": 1787049318, "skeleton": "WWFWFYSILCQWDI", "hf_user": "redcrono", "display_name": "Lukecage", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········c2)n1", "total": 19.84, "axes": {"activity": 12.07, "binding": 1.15, "selectivity": 0.14, "admet": 1.85, "novelty": 2.66, "synthesis": 1.97}, "detail": {"activity": {"pAct_q10": 5.324, "fraction": 0.402}, "binding": {"pIC50": 5.23, "LE": 0.224, "potency_term": 0.077, "efficiency_cap": 0.746}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.077}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.144, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.56, "herg": 0.197, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 5.324004204112827, "aff_pf": 0.7691183090209961, "aff_hs": 0.9551418224970499, "repeats_pf": {"runs": 3, "values": [0.8564, 0.7526, 0.6984], "mean": 0.7691, "spread": 0.1579}, "repeats_hs": {"runs": 3, "values": [1.1113, 0.8745, 0.8796], "mean": 0.9551, "spread": 0.2368}, "at": 1787049318}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043951, "scored_at": 1787049318, "alerts": [], "rank": 5028}, {"candidate_id": "ODC-925FEA", "res_at": 1787438211, "skeleton": "KWYCWNBOVPIINL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCN··········2)CC1", "total": 19.817, "axes": {"activity": 12.01, "binding": 1.84, "selectivity": 0.0, "admet": 1.78, "novelty": 2.18, "synthesis": 2.0}, "detail": {"activity": {"pAct_q10": 5.321, "fraction": 0.4}, "binding": {"pIC50": 5.37, "LE": 0.223, "potency_term": 0.124, "efficiency_cap": 0.743}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.056, "caco2-wang": 0.649, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.656, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.415, "herg": 0.05, "dili": 0.656}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "3", "pAct_q10": 5.320679197439638, "aff_pf": 0.6293412695328394, "aff_hs": 0.4694831818342209, "repeats_pf": {"runs": 3, "values": [0.0314, 1.0272, 0.8295], "mean": 0.6293, "spread": 0.9958}, "repeats_hs": {"runs": 3, "values": [0.7607, 0.8686, -0.2208], "mean": 0.4695, "spread": 1.0894}, "at": 1787438211}, "tier": 1, "relegate_reason": [], "submitted_at": 1787436392, "scored_at": 1787438211, "alerts": [], "rank": 5029}, {"candidate_id": "ODC-A50E69", "res_at": 1789900828, "skeleton": "RMKIKRYZSPRXFF", "hf_user": "Bio-JS", "display_name": "0918-S1-div09", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 19.785, "axes": {"activity": 9.81, "binding": 4.62, "selectivity": 0.0, "admet": 2.27, "novelty": 1.74, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.189, "fraction": 0.327}, "binding": {"pIC50": 5.69, "LE": 0.312, "potency_term": 0.231, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.231}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.567, "cyp3a4-substrate-carbonmangels": 0.289, "ld50-zhu": 0.356, "herg": 0.302, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 5.188675163218652, "aff_pf": 0.3074684093395869, "aff_hs": 0.10315496722857158, "repeats_pf": {"runs": 3, "values": [0.3738, 0.2171, 0.3315], "mean": 0.3075, "spread": 0.1567}, "repeats_hs": {"runs": 3, "values": [0.0228, 0.2906, -0.004], "mean": 0.1032, "spread": 0.2946}, "at": 1789900828}, "tier": 1, "alerts": [], "total_sd": 0.268, "total_ci95": [19.343, 20.387], "relegate_reason": [], "submitted_at": 1789687030, "scored_at": 1789900828, "rank": 5030}, {"candidate_id": "ODC-B8BF1D", "res_at": 1786983029, "skeleton": "UTNDFWSNYOZYCL", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)n2n1", "total": 19.782, "axes": {"activity": 11.56, "binding": 1.76, "selectivity": 0.06, "admet": 2.61, "novelty": 2.0, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 5.28, "LE": 0.278, "potency_term": 0.095, "efficiency_cap": 0.928}, "selectivity": {"fold": 1.2, "selectivity_term": 0.032, "target_engagement": 0.095}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.353, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.493, "herg": 0.377, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 5.2933794908865766, "aff_pf": 0.7150960763295492, "aff_hs": 0.7794481913248698, "repeats_pf": {"runs": 3, "values": [0.7173, 0.8754, 0.5525], "mean": 0.7151, "spread": 0.3229}, "repeats_hs": {"runs": 3, "values": [0.7839, 0.7909, 0.7636], "mean": 0.7794, "spread": 0.0274}, "at": 1786983029}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979516, "scored_at": 1786983029, "alerts": [], "rank": 5031}, {"candidate_id": "ODC-0ECB1F", "res_at": 1788831702, "skeleton": "QOAFWXMLIMTMDN", "hf_user": "daehan1123", "display_name": "Codex", "model_name": "Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1nc2··········[nH]1", "total": 19.781, "axes": {"activity": 7.19, "binding": 5.88, "selectivity": 1.47, "admet": 1.92, "novelty": 2.21, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.031, "fraction": 0.24}, "binding": {"pIC50": 5.89, "LE": 0.299, "potency_term": 0.295, "efficiency_cap": 0.996}, "selectivity": {"fold": 3.1, "selectivity_term": 0.249, "target_engagement": 0.295}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "0", "pAct_q10": 5.031343679261192, "aff_pf": 0.11361357569694519, "aff_hs": 0.6114368140697479, "repeats_pf": {"runs": 3, "values": [0.077, 0.1927, 0.0712], "mean": 0.1136, "spread": 0.1215}, "repeats_hs": {"runs": 3, "values": [0.6961, 0.641, 0.4971], "mean": 0.6114, "spread": 0.199}, "at": 1788831702}, "tier": 1, "alerts": [], "total_sd": 0.557, "total_ci95": [18.831, 20.737], "relegate_reason": [], "submitted_at": 1788829422, "scored_at": 1788831702, "rank": 5032}, {"candidate_id": "ODC-7F8DD7", "res_at": 1787232586, "skeleton": "NZTJYOGQVSYAQW", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 19.76, "axes": {"activity": 11.47, "binding": 2.62, "selectivity": 0.0, "admet": 1.49, "novelty": 2.38, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 5.54, "LE": 0.217, "potency_term": 0.181, "efficiency_cap": 0.723}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.448, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.461, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.376, "novelty": 0.624}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.288409305604251, "aff_pf": 0.45745551586151123, "aff_hs": -0.019547104835510254, "repeats_pf": {"runs": 3, "values": [0.3782, 0.6146, 0.3796], "mean": 0.4575, "spread": 0.2365}, "repeats_hs": {"runs": 3, "values": [-0.3145, 0.192, 0.0639], "mean": -0.0195, "spread": 0.5065}, "at": 1787232586}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231886, "scored_at": 1787232586, "alerts": [], "rank": 5033}, {"candidate_id": "ODC-22069E", "res_at": 1788133495, "skeleton": "YTFWUETZOFSCNH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 19.742, "axes": {"activity": 8.89, "binding": 5.31, "selectivity": 0.91, "admet": 1.3, "novelty": 1.85, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.134, "fraction": 0.296}, "binding": {"pIC50": 5.94, "LE": 0.254, "potency_term": 0.313, "efficiency_cap": 0.848}, "selectivity": {"fold": 2.0, "selectivity_term": 0.145, "target_engagement": 0.313}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.377, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.133542587621463, "aff_pf": 0.06063239214320978, "aff_hs": 0.3509271442890167, "repeats_pf": {"runs": 3, "values": [0.0878, 0.0739, 0.0202], "mean": 0.0606, "spread": 0.0677}, "repeats_hs": {"runs": 3, "values": [0.374, 0.3441, 0.3348], "mean": 0.3509, "spread": 0.0392}, "at": 1788133495}, "tier": 1, "alerts": [], "total_sd": 0.199, "total_ci95": [19.464, 20.212], "relegate_reason": [], "submitted_at": 1788132508, "scored_at": 1788133495, "rank": 5034}, {"candidate_id": "ODC-775553", "res_at": 1789942545, "skeleton": "NEJOBEZLTCZRPQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "OCCCc1n··········sc2n1", "total": 19.735, "axes": {"activity": 10.94, "binding": 1.75, "selectivity": 0.0, "admet": 2.76, "novelty": 2.47, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.365}, "binding": {"pIC50": 4.98, "LE": 0.273, "potency_term": 0.096, "efficiency_cap": 0.91}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.863, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.428, "ld50-zhu": 0.644, "herg": 0.302, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 5.2562915122677385, "aff_pf": 1.0158503850301106, "aff_hs": 0.9470643003781637, "repeats_pf": {"runs": 3, "values": [1.0451, 0.997, 1.0055], "mean": 1.0159, "spread": 0.0481}, "repeats_hs": {"runs": 3, "values": [0.9022, 0.9735, 0.9655], "mean": 0.9471, "spread": 0.0713}, "at": 1789942545}, "tier": 1, "alerts": [], "total_sd": 0.657, "total_ci95": [17.986, 19.798], "relegate_reason": [], "submitted_at": 1789778848, "scored_at": 1789942545, "rank": 5035}, {"candidate_id": "ODC-88C479", "res_at": 1788452077, "skeleton": "FHQBYLLIOWHKRH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········CCCC2", "total": 19.726, "axes": {"activity": 7.73, "binding": 6.75, "selectivity": 0.0, "admet": 1.45, "novelty": 2.5, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.064, "fraction": 0.258}, "binding": {"pIC50": 6.24, "LE": 0.244, "potency_term": 0.414, "efficiency_cap": 0.814}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.414}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.34, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.782, "herg": 0.05, "dili": 0.457}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 5.0635763017259015, "aff_pf": -0.24234458804130554, "aff_hs": -0.2650459110736847, "repeats_pf": {"runs": 3, "values": [-0.1553, -0.302, -0.2697], "mean": -0.2423, "spread": 0.1467}, "repeats_hs": {"runs": 3, "values": [-0.3343, -0.1396, -0.3213], "mean": -0.265, "spread": 0.1947}, "at": 1788452077}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.502, "total_ci95": [18.73, 20.688], "relegate_reason": [], "submitted_at": 1788394099, "scored_at": 1788452077, "rank": 5036}, {"candidate_id": "ODC-EF7724", "res_at": 1789908452, "skeleton": "ORNSIZURGNKZPT", "hf_user": "Bio-JS", "display_name": "0918-S1-div21", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 19.726, "axes": {"activity": 9.71, "binding": 3.96, "selectivity": 0.39, "admet": 2.3, "novelty": 2.06, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 5.59, "LE": 0.307, "potency_term": 0.198, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.198}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.749, "cyp3a4-substrate-carbonmangels": 0.176, "ld50-zhu": 0.489, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 5.182785088294416, "aff_pf": 0.4061553105711937, "aff_hs": 0.6054988900820414, "repeats_pf": {"runs": 3, "values": [0.7439, 0.0475, 0.4271], "mean": 0.4062, "spread": 0.6964}, "repeats_hs": {"runs": 3, "values": [0.4796, 0.7079, 0.629], "mean": 0.6055, "spread": 0.2283}, "at": 1789908452}, "tier": 1, "alerts": [], "total_sd": 1.563, "total_ci95": [17.012, 23.578], "relegate_reason": [], "submitted_at": 1789687065, "scored_at": 1789908452, "rank": 5037}, {"candidate_id": "ODC-7E56BE", "res_at": 1786844829, "skeleton": "RBWPPPARGQBYGN", "hf_user": "1Dmeds", "display_name": "ODC26-KO-03R", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········c1C#N", "total": 19.692, "axes": {"activity": 11.23, "binding": 2.73, "selectivity": 0.0, "admet": 2.49, "novelty": 1.52, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 5.41, "LE": 0.297, "potency_term": 0.138, "efficiency_cap": 0.989}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.909, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.37, "herg": 0.448, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.593, "novelty": 0.407}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.273610514649584, "aff_pf": 0.585524837176005, "aff_hs": 0.4135098059972127, "repeats_pf": {"runs": 3, "values": [0.581, 0.484, 0.6916], "mean": 0.5855, "spread": 0.2077}, "repeats_hs": {"runs": 3, "values": [0.4889, 0.3144, 0.4372], "mean": 0.4135, "spread": 0.1745}, "at": 1786844829}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833001, "scored_at": 1786844829, "alerts": [], "rank": 5038}, {"candidate_id": "ODC-5DB20C", "res_at": 1787119669, "skeleton": "VNZLPSFMTQZLOJ", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 19.628, "axes": {"activity": 10.14, "binding": 3.85, "selectivity": 0.6, "admet": 1.58, "novelty": 2.18, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 5.79, "LE": 0.22, "potency_term": 0.262, "efficiency_cap": 0.734}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.262}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.561, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.149, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.208425730583029, "aff_pf": 0.2133821373184522, "aff_hs": 0.4408536156018575, "repeats_pf": {"runs": 3, "values": [0.4345, 0.1424, 0.0633], "mean": 0.2134, "spread": 0.3711}, "repeats_hs": {"runs": 3, "values": [0.2915, 0.4477, 0.5833], "mean": 0.4409, "spread": 0.2918}, "at": 1787119669}, "tier": 1, "relegate_reason": [], "submitted_at": 1787101726, "scored_at": 1787119669, "alerts": [], "rank": 5039}, {"candidate_id": "ODC-D4111F", "res_at": 1788773135, "skeleton": "YFFBAHAYDPXBDC", "hf_user": "Bio-JS", "display_name": "0906-S1-21 SCF3/CN/R6-Cl/p-Br/m-Me", "model_name": "SAR factorial (no docking)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Br", "total": 19.613, "axes": {"activity": 7.48, "binding": 6.74, "selectivity": 0.01, "admet": 1.81, "novelty": 2.26, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.049, "fraction": 0.249}, "binding": {"pIC50": 6.01, "LE": 0.317, "potency_term": 0.337, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.674, "herg": 0.24, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 5.048634816057795, "aff_pf": -0.010314881801605225, "aff_hs": -0.006227359175682068, "repeats_pf": {"runs": 3, "values": [-0.0716, 0.0169, 0.0238], "mean": -0.0103, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [-0.1171, 0.0672, 0.0312], "mean": -0.0062, "spread": 0.1843}, "at": 1788773135}, "tier": 1, "alerts": [], "total_sd": 0.399, "total_ci95": [19.217, 20.702], "relegate_reason": [], "submitted_at": 1788666045, "scored_at": 1788773135, "rank": 5040}, {"candidate_id": "ODC-FBFCB4", "res_at": 1787891378, "skeleton": "VEBULXNUYCCLKS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-08", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 19.603, "axes": {"activity": 9.14, "binding": 5.45, "selectivity": 0.02, "admet": 1.74, "novelty": 2.02, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.305}, "binding": {"pIC50": 5.96, "LE": 0.255, "potency_term": 0.321, "efficiency_cap": 0.851}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.321}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.986, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.495, "herg": 0.396, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 5.148292466198884, "aff_pf": 0.038310365130503975, "aff_hs": 0.044394741455713906, "repeats_pf": {"runs": 3, "values": [-0.0579, 0.0626, 0.1102], "mean": 0.0383, "spread": 0.1681}, "repeats_hs": {"runs": 3, "values": [0.072, 0.103, -0.0418], "mean": 0.0444, "spread": 0.1448}, "at": 1787891378}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841193, "scored_at": 1787891378, "alerts": [], "rank": 5041}, {"candidate_id": "ODC-E04589", "res_at": 1787328952, "skeleton": "OWYVOTFUUJCQDP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········(F)c1", "total": 19.602, "axes": {"activity": 9.9, "binding": 4.19, "selectivity": 0.0, "admet": 2.18, "novelty": 1.68, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.194, "fraction": 0.33}, "binding": {"pIC50": 5.63, "LE": 0.308, "potency_term": 0.209, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.209}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.662, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.417, "ld50-zhu": 0.48, "herg": 0.05, "dili": 0.559}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 5.1941672149230005, "aff_pf": 0.3716762661933899, "aff_hs": 0.24058231711387634, "repeats_pf": {"runs": 3, "values": [0.3104, 0.4899, 0.3147], "mean": 0.3717, "spread": 0.1795}, "repeats_hs": {"runs": 3, "values": [0.4177, 0.1277, 0.1764], "mean": 0.2406, "spread": 0.29}, "at": 1787328952}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328712, "scored_at": 1787328952, "alerts": [], "rank": 5042}, {"candidate_id": "ODC-B08FAE", "res_at": 1789934197, "skeleton": "NBEAIPDYSNDMJR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 19.588, "axes": {"activity": 11.55, "binding": 0.23, "selectivity": 0.0, "admet": 3.48, "novelty": 2.4, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.293, "fraction": 0.385}, "binding": {"pIC50": 4.27, "LE": 0.209, "potency_term": 0.016, "efficiency_cap": 0.697}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.539, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.675, "cyp3a4-substrate-carbonmangels": 0.915, "ld50-zhu": 0.573, "herg": 0.098, "dili": 0.171}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 5.293150406447555, "aff_pf": 1.7256171703338623, "aff_hs": 1.1295223633448284, "repeats_pf": {"runs": 3, "values": [1.7308, 1.7166, 1.7294], "mean": 1.7256, "spread": 0.0143}, "repeats_hs": {"runs": 3, "values": [1.0712, 1.1086, 1.2088], "mean": 1.1295, "spread": 0.1376}, "at": 1789934197}, "tier": 1, "alerts": [], "total_sd": 0.002, "total_ci95": [19.585, 19.594], "relegate_reason": [], "submitted_at": 1789778740, "scored_at": 1789934197, "rank": 5043}, {"candidate_id": "ODC-B3341F", "res_at": 1786856246, "skeleton": "IYCGREKYJGIPIQ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 19.574, "axes": {"activity": 7.28, "binding": 6.14, "selectivity": 0.66, "admet": 2.15, "novelty": 2.05, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.037, "fraction": 0.243}, "binding": {"pIC50": 5.92, "LE": 0.353, "potency_term": 0.307, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.108, "target_engagement": 0.307}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.977, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.581, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.617, "herg": 0.283, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 5.037083477785607, "aff_pf": 0.0788062463204066, "aff_hs": 0.2951884865760803, "repeats_pf": {"runs": 3, "values": [-0.0101, 0.161, 0.0856], "mean": 0.0788, "spread": 0.1711}, "repeats_hs": {"runs": 3, "values": [0.2377, 0.3395, 0.3084], "mean": 0.2952, "spread": 0.1018}, "at": 1786856246}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848318, "scored_at": 1786856246, "alerts": [], "rank": 5044}, {"candidate_id": "ODC-548656", "res_at": 1787917480, "skeleton": "XDKMHRPYYSKUGE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 19.568, "axes": {"activity": 11.57, "binding": 0.46, "selectivity": 0.0, "admet": 3.21, "novelty": 2.65, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.294, "fraction": 0.386}, "binding": {"pIC50": 4.58, "LE": 0.196, "potency_term": 0.035, "efficiency_cap": 0.654}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.544, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 0.969, "pgp-broccatelli": 0.877, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.851, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.294101436493407, "aff_pf": 1.4202104012171428, "aff_hs": 1.1113600532213848, "repeats_pf": {"runs": 3, "values": [1.3057, 1.9322, 1.0228], "mean": 1.4202, "spread": 0.9094}, "repeats_hs": {"runs": 3, "values": [0.995, 0.9801, 1.359], "mean": 1.1114, "spread": 0.3789}, "at": 1787917480}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898937, "scored_at": 1787917480, "alerts": [], "rank": 5045}, {"candidate_id": "ODC-DC62A7", "res_at": 1787350545, "skeleton": "AXSIHZDBSVNKCX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········CCCC1", "total": 19.565, "axes": {"activity": 8.11, "binding": 5.78, "selectivity": 1.46, "admet": 1.49, "novelty": 1.72, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.087, "fraction": 0.27}, "binding": {"pIC50": 6.06, "LE": 0.244, "potency_term": 0.355, "efficiency_cap": 0.815}, "selectivity": {"fold": 2.6, "selectivity_term": 0.206, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 0.939, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.462, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.086555699992807, "aff_pf": -0.06424365441004436, "aff_hs": 0.34868549307187396, "repeats_pf": {"runs": 3, "values": [0.1313, -0.0754, -0.2487], "mean": -0.0642, "spread": 0.38}, "repeats_hs": {"runs": 3, "values": [0.8159, 0.1748, 0.0554], "mean": 0.3487, "spread": 0.7605}, "at": 1787350545}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347680, "scored_at": 1787350545, "alerts": [], "rank": 5046}, {"candidate_id": "ODC-5FA903", "res_at": 1786960409, "skeleton": "ZQPMBIKAECSPMC", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········C1CC1", "total": 19.564, "axes": {"activity": 10.55, "binding": 2.83, "selectivity": 0.18, "admet": 2.48, "novelty": 2.02, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.233, "fraction": 0.352}, "binding": {"pIC50": 5.46, "LE": 0.277, "potency_term": 0.153, "efficiency_cap": 0.923}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.153}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.286, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.839, "herg": 0.648, "dili": 0.526}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "2", "pAct_q10": 5.23277919723873, "aff_pf": 0.5407886902491251, "aff_hs": 0.6602684855461121, "repeats_pf": {"runs": 3, "values": [0.543, 0.4406, 0.6388], "mean": 0.5408, "spread": 0.1982}, "repeats_hs": {"runs": 3, "values": [0.7271, 0.5818, 0.6719], "mean": 0.6603, "spread": 0.1453}, "at": 1786960409}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959788, "scored_at": 1786960409, "alerts": [], "rank": 5047}, {"candidate_id": "ODC-B95A16", "res_at": 1788980257, "skeleton": "UWSKZJORIISBCD", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········Cl)c1", "total": 19.542, "axes": {"activity": 7.71, "binding": 5.17, "selectivity": 1.68, "admet": 1.92, "novelty": 1.77, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.063, "fraction": 0.257}, "binding": {"pIC50": 5.78, "LE": 0.33, "potency_term": 0.259, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.326, "target_engagement": 0.259}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.921, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.829, "ld50-zhu": 0.6, "herg": 0.891, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.062809654440068, "aff_pf": 0.22435287634531656, "aff_hs": 0.8757026195526123, "repeats_pf": {"runs": 3, "values": [0.2021, 0.2787, 0.1923], "mean": 0.2244, "spread": 0.0864}, "repeats_hs": {"runs": 3, "values": [0.787, 0.9136, 0.9264], "mean": 0.8757, "spread": 0.1394}, "at": 1788980257}, "tier": 1, "alerts": [], "total_sd": 0.323, "total_ci95": [18.914, 20.172], "relegate_reason": [], "submitted_at": 1788972097, "scored_at": 1788980257, "rank": 5048}, {"candidate_id": "ODC-85C74E", "res_at": 1787281325, "skeleton": "TUVCBFXTGMQLQT", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········Cl)c1", "total": 19.524, "axes": {"activity": 11.73, "binding": 2.59, "selectivity": 0.57, "admet": 1.76, "novelty": 1.54, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.304, "fraction": 0.391}, "binding": {"pIC50": 5.47, "LE": 0.25, "potency_term": 0.156, "efficiency_cap": 0.832}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.486, "herg": 0.05, "dili": 0.447}}, "novelty": {"max_tanimoto": 0.606, "novelty": 0.394}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 5.304059986546962, "aff_pf": 0.5334296723206838, "aff_hs": 0.9020440181096395, "repeats_pf": {"runs": 3, "values": [0.6385, 0.4045, 0.5572], "mean": 0.5334, "spread": 0.234}, "repeats_hs": {"runs": 3, "values": [0.9284, 0.9073, 0.8704], "mean": 0.902, "spread": 0.058}, "at": 1787281325}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276215, "scored_at": 1787281325, "alerts": [], "rank": 5049}, {"candidate_id": "ODC-4279DE", "res_at": 1787194403, "skeleton": "YQILVNOHGKTSMV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 19.504, "axes": {"activity": 11.0, "binding": 1.42, "selectivity": 0.0, "admet": 3.07, "novelty": 2.63, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.26, "fraction": 0.367}, "binding": {"pIC50": 5.22, "LE": 0.286, "potency_term": 0.074, "efficiency_cap": 0.954}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.074}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.465, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.62, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.260274621591494, "aff_pf": 0.777122437953949, "aff_hs": 0.29174641768137616, "repeats_pf": {"runs": 3, "values": [0.7548, 0.7451, 0.8314], "mean": 0.7771, "spread": 0.0863}, "repeats_hs": {"runs": 3, "values": [0.3564, 0.2229, 0.2959], "mean": 0.2917, "spread": 0.1335}, "at": 1787194403}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192010, "scored_at": 1787194403, "alerts": [], "rank": 5050}, {"candidate_id": "ODC-182F07", "res_at": 1789882770, "skeleton": "RJLDEQUALUHMLS", "hf_user": "Bio-JS", "display_name": "0917-S1-div28", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 19.504, "axes": {"activity": 10.73, "binding": 1.62, "selectivity": 0.0, "admet": 3.3, "novelty": 2.35, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.244, "fraction": 0.358}, "binding": {"pIC50": 5.24, "LE": 0.312, "potency_term": 0.081, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.081}, "admet": {"geometric_mean": 0.615, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.948, "ld50-zhu": 0.4, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.243793670230734, "aff_pf": 0.757623294989268, "aff_hs": 0.5261265834172567, "repeats_pf": {"runs": 3, "values": [0.8003, 0.708, 0.7646], "mean": 0.7576, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [0.5142, 0.5151, 0.5491], "mean": 0.5261, "spread": 0.0348}, "at": 1789882770}, "tier": 1, "alerts": [], "total_sd": 0.15, "total_ci95": [19.219, 19.835], "relegate_reason": [], "submitted_at": 1789628666, "scored_at": 1789882770, "rank": 5051}, {"candidate_id": "ODC-1AEC10", "res_at": 1787267416, "skeleton": "SMGDKBULJGJQBV", "hf_user": "ipsych", "display_name": "OCB-propyl-cBu-oOCF3", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 19.502, "axes": {"activity": 10.65, "binding": 2.54, "selectivity": 0.41, "admet": 1.86, "novelty": 2.5, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.239, "fraction": 0.355}, "binding": {"pIC50": 5.54, "LE": 0.211, "potency_term": 0.181, "efficiency_cap": 0.703}, "selectivity": {"fold": 1.7, "selectivity_term": 0.115, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 0.658, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.796, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.768, "herg": 0.05, "dili": 0.423}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.2392625853486345, "aff_pf": 0.4572926461696625, "aff_hs": 0.6865306496620178, "repeats_pf": {"runs": 3, "values": [0.5276, 0.3711, 0.4731], "mean": 0.4573, "spread": 0.1565}, "repeats_hs": {"runs": 3, "values": [0.8466, 0.4794, 0.7336], "mean": 0.6865, "spread": 0.3672}, "at": 1787267416}, "tier": 1, "relegate_reason": [], "submitted_at": 1787266858, "scored_at": 1787267416, "alerts": [], "rank": 5052}, {"candidate_id": "ODC-441670", "res_at": 1789356565, "skeleton": "NKLVHGRULZBPFC", "hf_user": "Bio-JS", "display_name": "0914-S1-div14", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 19.488, "axes": {"activity": 5.31, "binding": 6.56, "selectivity": 1.51, "admet": 2.7, "novelty": 2.03, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 5.98, "LE": 0.328, "potency_term": 0.328, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.328}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.526, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.878, "cyp3a4-substrate-carbonmangels": 0.378, "ld50-zhu": 0.46, "herg": 0.392, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "0", "pAct_q10": 4.9186796393518355, "aff_pf": 0.015887495130300522, "aff_hs": 0.47609515984853107, "repeats_pf": {"runs": 3, "values": [-0.0424, 0.1248, -0.0347], "mean": 0.0159, "spread": 0.1672}, "repeats_hs": {"runs": 3, "values": [0.5112, 0.4687, 0.4484], "mean": 0.4761, "spread": 0.0628}, "at": 1789356565}, "tier": 1, "alerts": [], "total_sd": 0.762, "total_ci95": [17.704, 20.556], "relegate_reason": [], "submitted_at": 1789346127, "scored_at": 1789356565, "rank": 5053}, {"candidate_id": "ODC-AE7026", "res_at": 1788624774, "skeleton": "LKOHFDCSSHZPJP", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········cc1Cl", "total": 19.486, "axes": {"activity": 9.76, "binding": 3.5, "selectivity": 0.14, "admet": 2.57, "novelty": 1.89, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.325}, "binding": {"pIC50": 5.52, "LE": 0.344, "potency_term": 0.175, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.599, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.783, "cyp3a4-substrate-carbonmangels": 0.103, "ld50-zhu": 0.434, "herg": 0.05, "dili": 0.244}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "0", "pAct_q10": 5.185729181338628, "aff_pf": 0.4751115143299103, "aff_hs": 0.5559292236963908, "repeats_pf": {"runs": 3, "values": [0.5068, 0.5157, 0.4028], "mean": 0.4751, "spread": 0.1129}, "repeats_hs": {"runs": 3, "values": [0.6277, 0.5484, 0.4917], "mean": 0.5559, "spread": 0.136}, "at": 1788624774}, "tier": 1, "alerts": [], "total_sd": 0.243, "total_ci95": [19.094, 19.903], "relegate_reason": [], "submitted_at": 1788623937, "scored_at": 1788624774, "rank": 5054}, {"candidate_id": "ODC-1C18D2", "res_at": 1787232782, "skeleton": "PZSXFDOJFPOMQD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 19.473, "axes": {"activity": 12.11, "binding": 0.99, "selectivity": 0.0, "admet": 1.74, "novelty": 2.68, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.327, "fraction": 0.404}, "binding": {"pIC50": 5.22, "LE": 0.199, "potency_term": 0.075, "efficiency_cap": 0.663}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.075}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.504, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.326823995282255, "aff_pf": 0.7750441034634908, "aff_hs": 0.48383914430936176, "repeats_pf": {"runs": 3, "values": [0.1306, 1.0546, 1.1399], "mean": 0.775, "spread": 1.0093}, "repeats_hs": {"runs": 3, "values": [0.5004, 0.3929, 0.5582], "mean": 0.4838, "spread": 0.1653}, "at": 1787232782}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231889, "scored_at": 1787232782, "alerts": [], "rank": 5055}, {"candidate_id": "ODC-9CE040", "res_at": 1787198808, "skeleton": "XQJOTVREDHULOA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-01-DiF", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········F)c1F", "total": 19.453, "axes": {"activity": 9.05, "binding": 4.67, "selectivity": 0.0, "admet": 2.48, "novelty": 2.21, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 5.7, "LE": 0.3, "potency_term": 0.233, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.233}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "3", "pAct_q10": 5.143180874160891, "aff_pf": 0.30015786985556286, "aff_hs": -0.2935280626018842, "repeats_pf": {"runs": 3, "values": [0.3552, 0.1863, 0.3589], "mean": 0.3002, "spread": 0.1726}, "repeats_hs": {"runs": 3, "values": [-0.0645, -0.5149, -0.3012], "mean": -0.2935, "spread": 0.4505}, "at": 1787198808}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195254, "scored_at": 1787198808, "alerts": [], "rank": 5056}, {"candidate_id": "ODC-85371E", "res_at": 1788976802, "skeleton": "TZVJCNMIDLGDLQ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCc1cc··········(F)c1", "total": 19.431, "axes": {"activity": 7.51, "binding": 5.68, "selectivity": 0.72, "admet": 2.16, "novelty": 1.94, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.051, "fraction": 0.25}, "binding": {"pIC50": 5.85, "LE": 0.349, "potency_term": 0.284, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.284}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.51, "herg": 0.139, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "0", "pAct_q10": 5.050799204476072, "aff_pf": 0.14725690086682638, "aff_hs": 0.39942511916160583, "repeats_pf": {"runs": 3, "values": [0.1058, 0.1901, 0.1458], "mean": 0.1473, "spread": 0.0843}, "repeats_hs": {"runs": 3, "values": [0.346, 0.4992, 0.353], "mean": 0.3994, "spread": 0.1532}, "at": 1788976802}, "tier": 1, "alerts": [], "total_sd": 0.37, "total_ci95": [18.821, 20.279], "relegate_reason": [], "submitted_at": 1788971751, "scored_at": 1788976802, "rank": 5057}, {"candidate_id": "ODC-0043EA", "res_at": 1786833827, "skeleton": "OEDZACCAMTTYML", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········sc2n1", "total": 19.424, "axes": {"activity": 2.1, "binding": 7.63, "selectivity": 2.43, "admet": 3.21, "novelty": 2.15, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 4.458, "fraction": 0.07}, "binding": {"pIC50": 6.14, "LE": 0.443, "potency_term": 0.381, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.381}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.838, "ld50-zhu": 0.603, "herg": 0.956, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "1", "pAct_q10": 4.45763654783566, "aff_pf": -0.14389432221651077, "aff_hs": 0.4927203555901845, "repeats_pf": {"runs": 3, "values": [-0.195, -0.1486, -0.0881], "mean": -0.1439, "spread": 0.1068}, "repeats_hs": {"runs": 3, "values": [0.4932, 0.5301, 0.4549], "mean": 0.4927, "spread": 0.0752}, "at": 1786833827}, "tier": 1, "relegate_reason": [], "submitted_at": 1786798197, "scored_at": 1786833827, "alerts": [], "rank": 5058}, {"candidate_id": "ODC-F1ECA3", "res_at": 1788454598, "skeleton": "HFTXVMVFHOEYJX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········(C)n1", "total": 19.424, "axes": {"activity": 7.73, "binding": 6.44, "selectivity": 0.0, "admet": 1.52, "novelty": 2.41, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.064, "fraction": 0.258}, "binding": {"pIC50": 6.22, "LE": 0.237, "potency_term": 0.408, "efficiency_cap": 0.789}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.408}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.588, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.487, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.05, "dili": 0.221}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 5.06394346652905, "aff_pf": -0.22329780956109366, "aff_hs": -0.3960988273223241, "repeats_pf": {"runs": 3, "values": [0.0033, -0.5352, -0.138], "mean": -0.2233, "spread": 0.5385}, "repeats_hs": {"runs": 3, "values": [0.0585, -0.619, -0.6277], "mean": -0.3961, "spread": 0.6862}, "at": 1788454598}, "tier": 1, "alerts": [], "total_sd": 1.599, "total_ci95": [17.421, 22.837], "relegate_reason": [], "submitted_at": 1788394133, "scored_at": 1788454598, "rank": 5059}, {"candidate_id": "ODC-AA7AD9", "res_at": 1787052370, "skeleton": "BFRPJTGSWITITG", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ncc(··········2)cn1", "total": 19.418, "axes": {"activity": 7.47, "binding": 6.14, "selectivity": 1.26, "admet": 1.15, "novelty": 2.28, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.048, "fraction": 0.249}, "binding": {"pIC50": 6.18, "LE": 0.235, "potency_term": 0.392, "efficiency_cap": 0.783}, "selectivity": {"fold": 2.1, "selectivity_term": 0.16, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.44, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.136, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "2", "pAct_q10": 5.048218253603054, "aff_pf": -0.17525041103363037, "aff_hs": 0.1457440306742986, "repeats_pf": {"runs": 3, "values": [-0.0846, -0.225, -0.2162], "mean": -0.1753, "spread": 0.1404}, "repeats_hs": {"runs": 3, "values": [0.1916, 0.1089, 0.1368], "mean": 0.1457, "spread": 0.0827}, "at": 1787052370}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052079, "scored_at": 1787052370, "alerts": [], "rank": 5060}, {"candidate_id": "ODC-6B3572", "res_at": 1787350143, "skeleton": "DJRDFCVMMDXRAH", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCCNC··········CCCC1", "total": 19.413, "axes": {"activity": 11.74, "binding": 1.6, "selectivity": 0.0, "admet": 1.93, "novelty": 2.72, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.305, "fraction": 0.391}, "binding": {"pIC50": 5.35, "LE": 0.204, "potency_term": 0.118, "efficiency_cap": 0.679}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.118}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 0.873, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.74, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.487, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.30456331690883, "aff_pf": 0.645776609579722, "aff_hs": 0.37314831217130023, "repeats_pf": {"runs": 3, "values": [0.9893, 0.3957, 0.5523], "mean": 0.6458, "spread": 0.5936}, "repeats_hs": {"runs": 3, "values": [0.7428, 0.745, -0.3684], "mean": 0.3731, "spread": 1.1134}, "at": 1787350143}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347664, "scored_at": 1787350143, "alerts": [], "rank": 5061}, {"candidate_id": "ODC-250654", "res_at": 1787917890, "skeleton": "QSJKBMDWKKGUET", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 19.406, "axes": {"activity": 12.15, "binding": 0.32, "selectivity": 0.0, "admet": 2.42, "novelty": 2.68, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 4.44, "LE": 0.19, "potency_term": 0.025, "efficiency_cap": 0.634}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.455, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 0.05, "pgp-broccatelli": 0.502, "cyp2c9-veith": 0.858, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.734, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.3290637975557305, "aff_pf": 1.5565564632415771, "aff_hs": 0.6391923824946085, "repeats_pf": {"runs": 3, "values": [1.3583, 1.7993, 1.5121], "mean": 1.5566, "spread": 0.441}, "repeats_hs": {"runs": 3, "values": [0.7478, 0.5153, 0.6544], "mean": 0.6392, "spread": 0.2325}, "at": 1787917890}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898944, "scored_at": 1787917890, "alerts": [], "rank": 5062}, {"candidate_id": "ODC-278025", "res_at": 1789917589, "skeleton": "VWKRWXIYVACCBL", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 19.404, "axes": {"activity": 13.02, "binding": 0.12, "selectivity": 0.01, "admet": 3.43, "novelty": 1.22, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.381, "fraction": 0.434}, "binding": {"pIC50": 5.02, "LE": 0.275, "potency_term": 0.006, "efficiency_cap": 0.917}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.006}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.579, "ld50-zhu": 0.415, "herg": 0.427, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "2", "pAct_q10": 5.381138439844457, "aff_pf": 0.9809413154919943, "aff_hs": 1.0732336441675823, "repeats_pf": {"runs": 3, "values": [0.8391, 1.0506, 1.053], "mean": 0.9809, "spread": 0.2139}, "repeats_hs": {"runs": 3, "values": [1.1144, 1.1074, 0.9979], "mean": 1.0732, "spread": 0.1165}, "at": 1789917589}, "tier": 1, "alerts": [], "total_sd": 0.618, "total_ci95": [19.397, 20.875], "relegate_reason": [], "submitted_at": 1789907073, "scored_at": 1789917589, "rank": 5063}, {"candidate_id": "ODC-7633AE", "res_at": 1787340462, "skeleton": "YMAVDLWBURNXSW", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "Cc1nnc2cc(-c3ccc(OC(F)(F)F)cc3)cnc2c1-c1ccc(C(C)(C#N)N2CCOCC2)cc1", "smiles_masked": null, "total": 19.376, "axes": {"activity": 9.38, "binding": 5.56, "selectivity": 0.0, "admet": 1.16, "novelty": 2.15, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.163, "fraction": 0.313}, "binding": {"pIC50": 6.13, "LE": 0.221, "potency_term": 0.377, "efficiency_cap": 0.737}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.377}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.738, "herg": 0.05, "dili": 0.226}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.16303819958233, "aff_pf": -0.1317803661028544, "aff_hs": -0.32049667835235596, "repeats_pf": {"runs": 3, "values": [0.0036, -0.2303, -0.1686], "mean": -0.1318, "spread": 0.234}, "repeats_hs": {"runs": 3, "values": [-0.2541, -0.3106, -0.3968], "mean": -0.3205, "spread": 0.1426}, "at": 1787340462}, "tier": 1, "relegate_reason": [], "submitted_at": 1787340254, "scored_at": 1787340462, "alerts": [], "rank": 5064}, {"candidate_id": "ODC-F86C95", "res_at": 1787137915, "skeleton": "SQTZCMSDCJABCH", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 19.373, "axes": {"activity": 11.87, "binding": 0.88, "selectivity": 0.0, "admet": 2.72, "novelty": 2.18, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 4.72, "LE": 0.269, "potency_term": 0.049, "efficiency_cap": 0.897}, "selectivity": {"fold": 1.3, "selectivity_term": 0.049, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.625, "herg": 0.427, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.3123986705957, "aff_pf": 1.2844520807266235, "aff_hs": 1.3825336297353108, "repeats_pf": {"runs": 3, "values": [1.2372, 1.2893, 1.3269], "mean": 1.2845, "spread": 0.0897}, "repeats_hs": {"runs": 3, "values": [1.303, 1.4007, 1.4439], "mean": 1.3825, "spread": 0.1409}, "at": 1787137915}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135563, "scored_at": 1787137915, "alerts": [], "rank": 5065}, {"candidate_id": "ODC-829C94", "res_at": 1788980510, "skeleton": "NIJSTRPIHGOFTA", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········Cl)c1", "total": 19.371, "axes": {"activity": 5.45, "binding": 5.88, "selectivity": 2.21, "admet": 2.33, "novelty": 2.04, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 4.927, "fraction": 0.182}, "binding": {"pIC50": 5.88, "LE": 0.336, "potency_term": 0.294, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.6, "selectivity_term": 0.375, "target_engagement": 0.294}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.518, "herg": 0.71, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 4.926882785973135, "aff_pf": 0.11815425256888072, "aff_hs": 0.8685388565063477, "repeats_pf": {"runs": 3, "values": [0.2054, 0.0939, 0.0551], "mean": 0.1182, "spread": 0.1503}, "repeats_hs": {"runs": 3, "values": [0.7134, 1.0014, 0.8909], "mean": 0.8685, "spread": 0.288}, "at": 1788980510}, "tier": 1, "alerts": [], "total_sd": 0.712, "total_ci95": [17.822, 20.617], "relegate_reason": [], "submitted_at": 1788972111, "scored_at": 1788980510, "rank": 5066}, {"candidate_id": "ODC-F1EB00", "res_at": 1786891867, "skeleton": "RCQPTPITFLXJEB", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA-C", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 19.361, "axes": {"activity": 10.61, "binding": 2.83, "selectivity": 0.16, "admet": 2.22, "novelty": 2.01, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.354}, "binding": {"pIC50": 5.42, "LE": 0.31, "potency_term": 0.141, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.141}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.986, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.519, "herg": 0.124, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.236475249194122, "aff_pf": 0.5760842363039652, "aff_hs": 0.6894945899645487, "repeats_pf": {"runs": 3, "values": [0.4662, 0.6396, 0.6225], "mean": 0.5761, "spread": 0.1734}, "repeats_hs": {"runs": 3, "values": [0.831, 0.5788, 0.6586], "mean": 0.6895, "spread": 0.2522}, "at": 1786891867}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878660, "scored_at": 1786891867, "alerts": [], "rank": 5067}, {"candidate_id": "ODC-CF4987", "res_at": 1789905572, "skeleton": "GVGOAHYDJCBRSJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 19.353, "axes": {"activity": 11.5, "binding": 0.58, "selectivity": 0.0, "admet": 3.0, "novelty": 2.36, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.29, "fraction": 0.383}, "binding": {"pIC50": 4.63, "LE": 0.219, "potency_term": 0.04, "efficiency_cap": 0.729}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.525, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.447, "herg": 0.061, "dili": 0.136}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "2", "pAct_q10": 5.290091859797866, "aff_pf": 1.3714226881663005, "aff_hs": 1.2759627501169841, "repeats_pf": {"runs": 3, "values": [1.3325, 1.3972, 1.3846], "mean": 1.3714, "spread": 0.0647}, "repeats_hs": {"runs": 3, "values": [1.3267, 1.3001, 1.201], "mean": 1.276, "spread": 0.1257}, "at": 1789905572}, "tier": 1, "alerts": [], "total_sd": 0.024, "total_ci95": [19.314, 19.388], "relegate_reason": [], "submitted_at": 1789778753, "scored_at": 1789905572, "rank": 5068}, {"candidate_id": "ODC-1016B5", "res_at": 1787319262, "skeleton": "BLJAEVOGXAKCRM", "hf_user": "takutoyo", "display_name": "PfD12-20", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1nc··········C)ns1", "total": 19.352, "axes": {"activity": 10.64, "binding": 3.82, "selectivity": 0.0, "admet": 1.16, "novelty": 2.57, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.238, "fraction": 0.355}, "binding": {"pIC50": 5.7, "LE": 0.244, "potency_term": 0.234, "efficiency_cap": 0.814}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.234}, "admet": {"geometric_mean": 0.218, "per_endpoint": {"solubility-aqsoldb": 0.077, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.537, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 5.238372865494014, "aff_pf": 0.29668686787287396, "aff_hs": 0.197797363003095, "repeats_pf": {"runs": 3, "values": [0.3526, 0.2148, 0.3227], "mean": 0.2967, "spread": 0.1377}, "repeats_hs": {"runs": 3, "values": [0.1793, 0.2141, 0.2], "mean": 0.1978, "spread": 0.0347}, "at": 1787319262}, "tier": 1, "relegate_reason": [], "submitted_at": 1787315916, "scored_at": 1787319262, "alerts": [], "rank": 5069}, {"candidate_id": "ODC-7C322D", "res_at": 1786929730, "skeleton": "JMBNARQNOWFMJX", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········C)CC1", "total": 19.346, "axes": {"activity": 10.95, "binding": 1.35, "selectivity": 0.0, "admet": 2.95, "novelty": 2.28, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.257, "fraction": 0.365}, "binding": {"pIC50": 4.95, "LE": 0.226, "potency_term": 0.089, "efficiency_cap": 0.754}, "selectivity": {"fold": 1.1, "selectivity_term": 0.021, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.823, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.689, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.488, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "3", "pAct_q10": 5.256853119904311, "aff_pf": 1.045578916867574, "aff_hs": 1.0880932013193767, "repeats_pf": {"runs": 3, "values": [1.0365, 1.0883, 1.012], "mean": 1.0456, "spread": 0.0763}, "repeats_hs": {"runs": 3, "values": [1.0672, 1.1238, 1.0733], "mean": 1.0881, "spread": 0.0567}, "at": 1786929730}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924573, "scored_at": 1786929730, "alerts": [], "rank": 5070}, {"candidate_id": "ODC-A8C927", "res_at": 1787120063, "skeleton": "MDFCPILOVMJFIA", "hf_user": "Ku-ku", "display_name": "NCA20260819_002", "model_name": "novel-core/amide-coupling/maxmin", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········ccc21", "total": 19.333, "axes": {"activity": 10.85, "binding": 1.95, "selectivity": 0.53, "admet": 2.07, "novelty": 2.14, "synthesis": 1.81}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 5.31, "LE": 0.28, "potency_term": 0.104, "efficiency_cap": 0.933}, "selectivity": {"fold": 3.2, "selectivity_term": 0.253, "target_engagement": 0.104}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.403, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 2.11}}, "run": {"gpu": "3", "pAct_q10": 5.250736097626941, "aff_pf": 0.6871268550554911, "aff_hs": 1.1936935186386108, "repeats_pf": {"runs": 3, "values": [0.6441, 0.7663, 0.651], "mean": 0.6871, "spread": 0.1221}, "repeats_hs": {"runs": 3, "values": [1.0545, 1.2933, 1.2333], "mean": 1.1937, "spread": 0.2388}, "at": 1787120063}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102428, "scored_at": 1787120063, "alerts": [], "rank": 5071}, {"candidate_id": "ODC-2E1C2C", "res_at": 1787163849, "skeleton": "MHHXSBFIJYKUGL", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R11", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 19.327, "axes": {"activity": 10.26, "binding": 4.16, "selectivity": 0.0, "admet": 1.89, "novelty": 1.69, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.215, "fraction": 0.342}, "binding": {"pIC50": 5.72, "LE": 0.261, "potency_term": 0.239, "efficiency_cap": 0.87}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.239}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.507, "novelty": 0.493}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 5.21540545692012, "aff_pf": 0.28274992605050403, "aff_hs": -0.30326441923777264, "repeats_pf": {"runs": 3, "values": [0.307, 0.3646, 0.1767], "mean": 0.2827, "spread": 0.1878}, "repeats_hs": {"runs": 3, "values": [-0.3083, -0.282, -0.3195], "mean": -0.3033, "spread": 0.0375}, "at": 1787163849}, "tier": 1, "relegate_reason": [], "submitted_at": 1787152676, "scored_at": 1787163849, "alerts": [], "rank": 5072}, {"candidate_id": "ODC-765E41", "res_at": 1787233173, "skeleton": "LTVCOZVJYHNSKP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 19.307, "axes": {"activity": 11.87, "binding": 1.47, "selectivity": 0.0, "admet": 1.49, "novelty": 2.6, "synthesis": 1.88}, "detail": {"activity": {"pAct_q10": 5.312, "fraction": 0.396}, "binding": {"pIC50": 5.33, "LE": 0.203, "potency_term": 0.109, "efficiency_cap": 0.676}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.452, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.6, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.312234828385517, "aff_pf": 0.6734926501909891, "aff_hs": -0.3301709021131198, "repeats_pf": {"runs": 3, "values": [0.8748, 0.4742, 0.6715], "mean": 0.6735, "spread": 0.4006}, "repeats_hs": {"runs": 3, "values": [-0.5318, -0.1223, -0.3364], "mean": -0.3302, "spread": 0.4095}, "at": 1787233173}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231927, "scored_at": 1787233173, "alerts": [], "rank": 5073}, {"candidate_id": "ODC-CF34BF", "res_at": 1786870036, "skeleton": "IZHWIDXFMKRRFV", "hf_user": "SEOBAEK", "display_name": "SEOBAEK-Skkima-GEM-C03", "model_name": "Skkima + Gemini 3.6 Flash (High)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 19.304, "axes": {"activity": 5.18, "binding": 7.63, "selectivity": 0.31, "admet": 1.62, "novelty": 2.66, "synthesis": 1.91}, "detail": {"activity": {"pAct_q10": 4.911, "fraction": 0.173}, "binding": {"pIC50": 6.18, "LE": 0.292, "potency_term": 0.392, "efficiency_cap": 0.973}, "selectivity": {"fold": 1.2, "selectivity_term": 0.039, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.598, "herg": 0.287, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "2", "pAct_q10": 4.910664827736059, "aff_pf": -0.17650250593821207, "aff_hs": -0.09814771513144176, "repeats_pf": {"runs": 3, "values": [-0.2039, -0.4213, 0.0956], "mean": -0.1765, "spread": 0.5169}, "repeats_hs": {"runs": 3, "values": [-0.2096, -0.1098, 0.025], "mean": -0.0981, "spread": 0.2346}, "at": 1786870036}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863166, "scored_at": 1786870036, "alerts": [], "rank": 5074}, {"candidate_id": "ODC-6440A9", "res_at": 1788466432, "skeleton": "UOSJSHOYCNDHMM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········O)c1F", "total": 19.296, "axes": {"activity": 8.94, "binding": 3.09, "selectivity": 2.49, "admet": 1.48, "novelty": 2.16, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.136, "fraction": 0.298}, "binding": {"pIC50": 5.68, "LE": 0.205, "potency_term": 0.227, "efficiency_cap": 0.683}, "selectivity": {"fold": 12.5, "selectivity_term": 0.549, "target_engagement": 0.227}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.076, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.37}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 5.136339155758986, "aff_pf": 0.32033830384413403, "aff_hs": 1.4179468154907227, "repeats_pf": {"runs": 3, "values": [0.5005, 0.2303, 0.2302], "mean": 0.3203, "spread": 0.2702}, "repeats_hs": {"runs": 3, "values": [1.6422, 1.341, 1.2707], "mean": 1.4179, "spread": 0.3715}, "at": 1788466432}, "tier": 1, "alerts": [], "total_sd": 0.768, "total_ci95": [18.094, 20.64], "relegate_reason": [], "submitted_at": 1788394310, "scored_at": 1788466432, "rank": 5075}, {"candidate_id": "ODC-21B05F", "res_at": 1786893889, "skeleton": "QOQKLTUBYHDWNT", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Codex-PfDHODH-Target80", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 19.293, "axes": {"activity": 4.11, "binding": 8.48, "selectivity": 0.48, "admet": 2.35, "novelty": 1.9, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 4.847, "fraction": 0.137}, "binding": {"pIC50": 6.27, "LE": 0.344, "potency_term": 0.424, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.424}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.395, "cyp2c9-veith": 0.055, "cyp3a4-substrate-carbonmangels": 0.245, "ld50-zhu": 0.809, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 4.846656629171851, "aff_pf": -0.2715904116630554, "aff_hs": -0.15846876551707587, "repeats_pf": {"runs": 3, "values": [-0.2205, -0.3562, -0.2381], "mean": -0.2716, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [-0.0385, -0.3867, -0.0502], "mean": -0.1585, "spread": 0.3481}, "at": 1786893889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887245, "scored_at": 1786893889, "alerts": [], "rank": 5076}, {"candidate_id": "ODC-EFAA20", "res_at": 1788866664, "skeleton": "QKNQJWNAXWKCIK", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-11", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cnc2··········3)n12", "total": 19.286, "axes": {"activity": 8.44, "binding": 5.31, "selectivity": 0.77, "admet": 1.88, "novelty": 1.69, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 5.8, "LE": 0.331, "potency_term": 0.266, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.145, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.922, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.921, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.474, "herg": 0.478, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 5.106472469285883, "aff_pf": 0.20343253513177237, "aff_hs": 0.49371106425921124, "repeats_pf": {"runs": 3, "values": [0.2457, 0.1766, 0.1879], "mean": 0.2034, "spread": 0.0691}, "repeats_hs": {"runs": 3, "values": [0.5334, 0.4338, 0.5139], "mean": 0.4937, "spread": 0.0995}, "at": 1788866664}, "tier": 1, "alerts": [], "total_sd": 0.202, "total_ci95": [18.857, 19.616], "relegate_reason": [], "submitted_at": 1788856912, "scored_at": 1788866664, "rank": 5077}, {"candidate_id": "ODC-4F251E", "res_at": 1787130954, "skeleton": "LDMPNCQWHOYEBG", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1COC··········)NCCF", "total": 19.283, "axes": {"activity": 1.5, "binding": 7.83, "selectivity": 2.5, "admet": 4.05, "novelty": 1.5, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 4.324, "fraction": 0.05}, "binding": {"pIC50": 6.18, "LE": 0.368, "potency_term": 0.392, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.392}, "admet": {"geometric_mean": 0.69, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.848, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.483, "herg": 1.0, "dili": 0.121}}, "novelty": {"max_tanimoto": 0.618, "novelty": 0.382}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.323605668102578, "aff_pf": -0.17509479324022928, "aff_hs": 0.4641263286272685, "repeats_pf": {"runs": 3, "values": [-0.2693, -0.0252, -0.2308], "mean": -0.1751, "spread": 0.2441}, "repeats_hs": {"runs": 3, "values": [0.5361, 0.4404, 0.4159], "mean": 0.4641, "spread": 0.1202}, "at": 1787130954}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787123039, "scored_at": 1787130954, "rank": 5078}, {"candidate_id": "ODC-42CBB1", "res_at": 1787948739, "skeleton": "HYWPOVMICIKFNR", "hf_user": "Bio-JS", "display_name": "E5 [음의 대조] 아닐린 N-메틸화 (주개 0)", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········nn2c1", "total": 19.249, "axes": {"activity": 5.81, "binding": 6.02, "selectivity": 1.6, "admet": 2.24, "novelty": 2.38, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 4.949, "fraction": 0.194}, "binding": {"pIC50": 5.9, "LE": 0.337, "potency_term": 0.301, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.301}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.314, "cyp2c9-veith": 0.9, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.467, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.21, "novelty": 0.79}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 4.9486342501359815, "aff_pf": 0.09719754258791606, "aff_hs": 0.6297165950139364, "repeats_pf": {"runs": 3, "values": [0.1052, 0.0715, 0.1149], "mean": 0.0972, "spread": 0.0435}, "repeats_hs": {"runs": 3, "values": [0.5647, 0.647, 0.6775], "mean": 0.6297, "spread": 0.1128}, "at": 1787948739}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945083, "scored_at": 1787948739, "alerts": [], "rank": 5079}, {"candidate_id": "ODC-DC252E", "res_at": 1789946784, "skeleton": "AGKNYPTYEJIPHR", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 19.208, "axes": {"activity": 10.05, "binding": 3.62, "selectivity": 0.0, "admet": 2.3, "novelty": 1.78, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.203, "fraction": 0.335}, "binding": {"pIC50": 5.54, "LE": 0.316, "potency_term": 0.181, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.623, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.304, "herg": 0.48, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.203262727490931, "aff_pf": 0.4572657843430837, "aff_hs": -0.23489358524481455, "repeats_pf": {"runs": 3, "values": [0.456, 0.4992, 0.4166], "mean": 0.4573, "spread": 0.0827}, "repeats_hs": {"runs": 3, "values": [-0.279, -0.2462, -0.1795], "mean": -0.2349, "spread": 0.0995}, "at": 1789946784}, "tier": 1, "alerts": [], "total_sd": 0.118, "total_ci95": [19.024, 19.391], "relegate_reason": [], "submitted_at": 1789829724, "scored_at": 1789946784, "rank": 5080}, {"candidate_id": "ODC-3629F1", "res_at": 1787350341, "skeleton": "OSTOWGROJDBVPV", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········CCCC1", "total": 19.187, "axes": {"activity": 12.89, "binding": 0.2, "selectivity": 0.02, "admet": 1.93, "novelty": 2.6, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.373, "fraction": 0.43}, "binding": {"pIC50": 5.04, "LE": 0.209, "potency_term": 0.014, "efficiency_cap": 0.698}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.014}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 0.471, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.903, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.314, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.373453105006843, "aff_pf": 0.9575775464375814, "aff_hs": 1.124126712481181, "repeats_pf": {"runs": 3, "values": [1.1103, 0.6453, 1.1171], "mean": 0.9576, "spread": 0.4718}, "repeats_hs": {"runs": 3, "values": [0.947, 1.0576, 1.3678], "mean": 1.1241, "spread": 0.4208}, "at": 1787350341}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347671, "scored_at": 1787350341, "alerts": [], "rank": 5081}, {"candidate_id": "ODC-B9DEF9", "res_at": 1789876718, "skeleton": "LBDIGAPCGIVUEX", "hf_user": "Bio-JS", "display_name": "0917-S1-div12", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 19.183, "axes": {"activity": 10.52, "binding": 2.01, "selectivity": 0.42, "admet": 2.74, "novelty": 1.93, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 5.3, "LE": 0.316, "potency_term": 0.1, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.1}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.588, "caco2-wang": 0.711, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.4, "herg": 0.34, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.23114970954319, "aff_pf": 0.6989532113075256, "aff_hs": 1.1165834665298462, "repeats_pf": {"runs": 3, "values": [0.549, 0.7998, 0.748], "mean": 0.699, "spread": 0.2508}, "repeats_hs": {"runs": 3, "values": [1.1874, 1.0004, 1.1619], "mean": 1.1166, "spread": 0.187}, "at": 1789876718}, "tier": 1, "alerts": [], "total_sd": 0.564, "total_ci95": [18.339, 20.536], "relegate_reason": [], "submitted_at": 1789628593, "scored_at": 1789876718, "rank": 5082}, {"candidate_id": "ODC-6CE03D", "res_at": 1787199224, "skeleton": "KJYJHNLBWFMOHV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-03-F-Me-B", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········C)c1F", "total": 19.162, "axes": {"activity": 9.07, "binding": 4.27, "selectivity": 0.0, "admet": 2.53, "novelty": 2.24, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.144, "fraction": 0.302}, "binding": {"pIC50": 5.65, "LE": 0.297, "potency_term": 0.215, "efficiency_cap": 0.992}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.215}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.512, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.938, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.587, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.56}}, "run": {"gpu": "3", "pAct_q10": 5.14424350878397, "aff_pf": 0.35418814420700073, "aff_hs": -0.20644121120373407, "repeats_pf": {"runs": 3, "values": [0.3955, 0.3164, 0.3506], "mean": 0.3542, "spread": 0.0791}, "repeats_hs": {"runs": 3, "values": [0.0811, -0.385, -0.3154], "mean": -0.2064, "spread": 0.4662}, "at": 1787199224}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195499, "scored_at": 1787199224, "alerts": [], "rank": 5083}, {"candidate_id": "ODC-B06A79", "res_at": 1787256806, "skeleton": "GQEHBHXJVUJRTC", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-N05", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)cc1", "total": 19.148, "axes": {"activity": 12.15, "binding": 0.49, "selectivity": 0.0, "admet": 1.99, "novelty": 2.48, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 5.329, "fraction": 0.405}, "binding": {"pIC50": 4.65, "LE": 0.177, "potency_term": 0.042, "efficiency_cap": 0.59}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.798, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.613}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 5.329163522200119, "aff_pf": 1.3481589555740356, "aff_hs": 0.5262734492619833, "repeats_pf": {"runs": 3, "values": [1.1637, 1.3195, 1.5613], "mean": 1.3482, "spread": 0.3976}, "repeats_hs": {"runs": 3, "values": [0.8157, 0.3661, 0.397], "mean": 0.5263, "spread": 0.4496}, "at": 1787256806}, "tier": 1, "relegate_reason": [], "submitted_at": 1787256605, "scored_at": 1787256806, "alerts": [], "rank": 5084}, {"candidate_id": "ODC-EE96F8", "res_at": 1787048552, "skeleton": "OAHKUMAKXKGPHG", "hf_user": "redcrono", "display_name": "Lukecage", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2c··········c2)n1", "total": 19.123, "axes": {"activity": 9.66, "binding": 3.57, "selectivity": 0.0, "admet": 2.11, "novelty": 2.34, "synthesis": 1.44}, "detail": {"activity": {"pAct_q10": 5.18, "fraction": 0.322}, "binding": {"pIC50": 5.55, "LE": 0.292, "potency_term": 0.183, "efficiency_cap": 0.975}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.183}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.777, "herg": 0.05, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "2", "pAct_q10": 5.179630181760967, "aff_pf": 0.4512590169906616, "aff_hs": 0.31387868026892346, "repeats_pf": {"runs": 3, "values": [0.4637, 0.4808, 0.4093], "mean": 0.4513, "spread": 0.0715}, "repeats_hs": {"runs": 3, "values": [0.182, 0.3926, 0.367], "mean": 0.3139, "spread": 0.2106}, "at": 1787048552}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044608, "scored_at": 1787048552, "alerts": [], "rank": 5085}, {"candidate_id": "ODC-D1AD9B", "res_at": 1786848933, "skeleton": "XIANNEUQDUMUGF", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)c1", "total": 19.119, "axes": {"activity": 4.76, "binding": 6.83, "selectivity": 1.97, "admet": 2.56, "novelty": 1.28, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 4.886, "fraction": 0.159}, "binding": {"pIC50": 6.03, "LE": 0.344, "potency_term": 0.342, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.342}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.508, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.721, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.441, "herg": 0.178, "dili": 0.184}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.885688389221013, "aff_pf": -0.025212610761324566, "aff_hs": 0.5511827071507772, "repeats_pf": {"runs": 3, "values": [-0.0317, -0.0081, -0.0359], "mean": -0.0252, "spread": 0.0278}, "repeats_hs": {"runs": 3, "values": [0.6085, 0.436, 0.6091], "mean": 0.5512, "spread": 0.1732}, "at": 1786848933}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845821, "scored_at": 1786848933, "alerts": [], "rank": 5086}, {"candidate_id": "ODC-1FAA25", "res_at": 1787952982, "skeleton": "OTTRMGQJFFXHEU", "hf_user": "Bio-JS", "display_name": "B8 피롤로트라이아진 x 싸이에탄-CH2F + F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········nn2c1", "total": 19.113, "axes": {"activity": 3.66, "binding": 8.47, "selectivity": 0.0, "admet": 2.34, "novelty": 2.96, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 4.82, "fraction": 0.122}, "binding": {"pIC50": 6.27, "LE": 0.358, "potency_term": 0.424, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.424}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.302}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 4.8196968185738776, "aff_pf": -0.27064750095208484, "aff_hs": -0.5142683188120524, "repeats_pf": {"runs": 3, "values": [-0.2928, -0.217, -0.3021], "mean": -0.2706, "spread": 0.0851}, "repeats_hs": {"runs": 3, "values": [-0.4835, -0.5428, -0.5165], "mean": -0.5143, "spread": 0.0593}, "at": 1787952982}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945126, "scored_at": 1787952982, "alerts": [], "rank": 5087}, {"candidate_id": "ODC-5256F8", "res_at": 1787290957, "skeleton": "NDVSSFBDLSGCMZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 19.099, "axes": {"activity": 11.26, "binding": 0.73, "selectivity": 0.0, "admet": 3.19, "novelty": 2.72, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.275, "fraction": 0.375}, "binding": {"pIC50": 4.69, "LE": 0.238, "potency_term": 0.046, "efficiency_cap": 0.793}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.609, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.578, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 5.275415623902139, "aff_pf": 1.312159260114034, "aff_hs": 1.1996687253316243, "repeats_pf": {"runs": 3, "values": [1.3615, 1.2907, 1.2843], "mean": 1.3122, "spread": 0.0772}, "repeats_hs": {"runs": 3, "values": [1.2684, 1.2279, 1.1026], "mean": 1.1997, "spread": 0.1658}, "at": 1787290957}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286967, "scored_at": 1787290957, "alerts": [], "rank": 5088}, {"candidate_id": "ODC-E264F7", "res_at": 1786930493, "skeleton": "KVOVLYJDJHNNBD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 19.078, "axes": {"activity": 11.89, "binding": 1.12, "selectivity": 0.0, "admet": 1.92, "novelty": 2.16, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.396}, "binding": {"pIC50": 4.89, "LE": 0.223, "potency_term": 0.075, "efficiency_cap": 0.744}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.57, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.383, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.431, "herg": 0.05, "dili": 0.691}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.12}}, "run": {"gpu": "3", "pAct_q10": 5.313615012239682, "aff_pf": 1.112966775894165, "aff_hs": 1.670238455136617, "repeats_pf": {"runs": 3, "values": [0.9739, 1.3599, 1.0051], "mean": 1.113, "spread": 0.386}, "repeats_hs": {"runs": 3, "values": [1.5195, 1.8534, 1.6378], "mean": 1.6702, "spread": 0.3339}, "at": 1786930493}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924622, "scored_at": 1786930493, "alerts": [], "rank": 5089}, {"candidate_id": "ODC-DAA99B", "res_at": 1786903215, "skeleton": "MQGGUYHCAZYSKY", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "anthropic/claude-opus-5 (Claude Code + RDKit / AutoDock Vina pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn(C··········3)c12", "total": 19.027, "axes": {"activity": 9.04, "binding": 5.43, "selectivity": 0.0, "admet": 1.67, "novelty": 1.48, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.142, "fraction": 0.301}, "binding": {"pIC50": 5.83, "LE": 0.296, "potency_term": 0.275, "efficiency_cap": 0.985}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.275}, "admet": {"geometric_mean": 0.369, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.175, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.516, "herg": 0.05, "dili": 0.381}}, "novelty": {"max_tanimoto": 0.507, "novelty": 0.493}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.142327980195733, "aff_pf": 0.1737350175778071, "aff_hs": -0.6230882406234741, "repeats_pf": {"runs": 3, "values": [-0.23, 0.4328, 0.3184], "mean": 0.1737, "spread": 0.6628}, "repeats_hs": {"runs": 3, "values": [-0.6733, -0.6043, -0.5917], "mean": -0.6231, "spread": 0.0816}, "at": 1786903215}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891076, "scored_at": 1786903215, "alerts": [], "rank": 5090}, {"candidate_id": "ODC-E44A94", "res_at": 1786802033, "skeleton": "OKSCJYLSNHLVQU", "hf_user": "DOATC", "display_name": "SOL_55_SIM_PYM01", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 19.027, "axes": {"activity": 10.48, "binding": 2.81, "selectivity": 0.0, "admet": 2.79, "novelty": 1.47, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.349}, "binding": {"pIC50": 5.42, "LE": 0.323, "potency_term": 0.141, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.141}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.128, "ld50-zhu": 0.338, "herg": 0.732, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.579, "novelty": 0.421}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 5.228510851165234, "aff_pf": 0.5777781009674072, "aff_hs": 0.4487287104129791, "repeats_pf": {"runs": 3, "values": [0.5714, 0.6106, 0.5513], "mean": 0.5778, "spread": 0.0593}, "repeats_hs": {"runs": 3, "values": [0.4316, 0.4689, 0.4457], "mean": 0.4487, "spread": 0.0372}, "at": 1786802033}, "tier": 1, "relegate_reason": [], "submitted_at": 1786786565, "scored_at": 1786802033, "alerts": [], "rank": 5091}, {"candidate_id": "ODC-C45DC1", "res_at": 1786872460, "skeleton": "ARCGKLIYHFHBJB", "hf_user": "DOATC", "display_name": "SOL_RETAKE_08", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 18.977, "axes": {"activity": 8.35, "binding": 5.62, "selectivity": 0.81, "admet": 1.84, "novelty": 1.2, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.101, "fraction": 0.278}, "binding": {"pIC50": 5.84, "LE": 0.381, "potency_term": 0.281, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.145, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.437, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.992, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.648, "ld50-zhu": 0.444, "herg": 0.062, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.574, "novelty": 0.426}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 5.1010838295594985, "aff_pf": 0.15713342651724815, "aff_hs": 0.4467775026957194, "repeats_pf": {"runs": 3, "values": [0.1657, 0.0162, 0.2895], "mean": 0.1571, "spread": 0.2732}, "repeats_hs": {"runs": 3, "values": [0.3836, 0.5079, 0.4488], "mean": 0.4468, "spread": 0.1243}, "at": 1786872460}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865971, "scored_at": 1786872460, "alerts": [], "rank": 5092}, {"candidate_id": "ODC-6E199E", "res_at": 1787464631, "skeleton": "TWUSATRJSXIOCJ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)n1", "total": 18.951, "axes": {"activity": 11.5, "binding": 1.2, "selectivity": 0.0, "admet": 2.5, "novelty": 1.94, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.29, "fraction": 0.383}, "binding": {"pIC50": 4.84, "LE": 0.265, "potency_term": 0.068, "efficiency_cap": 0.885}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.079, "cyp3a4-substrate-carbonmangels": 0.254, "ld50-zhu": 0.582, "herg": 0.114, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 5.2897021381677005, "aff_pf": 1.1553566455841064, "aff_hs": 0.4700203438599904, "repeats_pf": {"runs": 3, "values": [1.1302, 1.0869, 1.2489], "mean": 1.1554, "spread": 0.162}, "repeats_hs": {"runs": 3, "values": [0.5006, 0.5811, 0.3284], "mean": 0.47, "spread": 0.2526}, "at": 1787464631}, "tier": 1, "relegate_reason": [], "submitted_at": 1787463713, "scored_at": 1787464631, "alerts": [], "rank": 5093}, {"candidate_id": "ODC-26B9C3", "res_at": 1786857364, "skeleton": "XIQQHLZRUYQTLG", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 18.947, "axes": {"activity": 6.91, "binding": 6.3, "selectivity": 0.19, "admet": 2.08, "novelty": 2.1, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.015, "fraction": 0.23}, "binding": {"pIC50": 5.94, "LE": 0.354, "potency_term": 0.315, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.315}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.926, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.625, "herg": 0.145, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 5.0148151212831875, "aff_pf": 0.05552465716997782, "aff_hs": 0.11485633254051208, "repeats_pf": {"runs": 3, "values": [0.0665, -0.0475, 0.1476], "mean": 0.0555, "spread": 0.1951}, "repeats_hs": {"runs": 3, "values": [0.1496, 0.165, 0.03], "mean": 0.1149, "spread": 0.135}, "at": 1786857364}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849015, "scored_at": 1786857364, "alerts": [], "rank": 5094}, {"candidate_id": "ODC-D006BA", "res_at": 1787235146, "skeleton": "NBOMFYGUINAEDF", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 18.92, "axes": {"activity": 11.42, "binding": 1.47, "selectivity": 0.13, "admet": 1.58, "novelty": 2.64, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.285, "fraction": 0.381}, "binding": {"pIC50": 5.33, "LE": 0.198, "potency_term": 0.111, "efficiency_cap": 0.658}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.111}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.536, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.687, "herg": 0.061, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.285380290577226, "aff_pf": 0.6659755706787109, "aff_hs": 0.7847088774045309, "repeats_pf": {"runs": 3, "values": [0.8057, 0.6164, 0.5758], "mean": 0.666, "spread": 0.23}, "repeats_hs": {"runs": 3, "values": [0.6838, 0.8028, 0.8676], "mean": 0.7847, "spread": 0.1838}, "at": 1787235146}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232150, "scored_at": 1787235146, "alerts": [], "rank": 5095}, {"candidate_id": "ODC-598348", "res_at": 1788801718, "skeleton": "VOWYAHQZIVUNEP", "hf_user": "Bio-JS", "display_name": "0907-S1-28", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "NS(=O)(··········2)cc1", "total": 18.92, "axes": {"activity": 9.02, "binding": 5.07, "selectivity": 0.07, "admet": 1.63, "novelty": 1.61, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.141, "fraction": 0.301}, "binding": {"pIC50": 5.9, "LE": 0.253, "potency_term": 0.301, "efficiency_cap": 0.842}, "selectivity": {"fold": 1.1, "selectivity_term": 0.012, "target_engagement": 0.301}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.326, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "0", "pAct_q10": 5.141498533824038, "aff_pf": 0.09660644084215164, "aff_hs": 0.11996210366487503, "repeats_pf": {"runs": 3, "values": [0.0659, 0.2111, 0.0128], "mean": 0.0966, "spread": 0.1983}, "repeats_hs": {"runs": 3, "values": [0.2429, 0.1391, -0.0221], "mean": 0.12, "spread": 0.265}, "at": 1788801718}, "tier": 1, "alerts": [], "total_sd": 0.43, "total_ci95": [18.425, 19.856], "relegate_reason": [], "submitted_at": 1788707803, "scored_at": 1788801718, "rank": 5096}, {"candidate_id": "ODC-4BB717", "res_at": 1787871652, "skeleton": "QBRTYXPLVIEWEA", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)(··········)CCC1", "total": 18.909, "axes": {"activity": 2.17, "binding": 7.6, "selectivity": 1.46, "admet": 3.41, "novelty": 2.78, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 4.47, "fraction": 0.072}, "binding": {"pIC50": 6.14, "LE": 0.366, "potency_term": 0.38, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.192, "target_engagement": 0.38}, "admet": {"geometric_mean": 0.598, "per_endpoint": {"solubility-aqsoldb": 0.663, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.142, "dili": 0.344}}, "novelty": {"max_tanimoto": 0.269, "novelty": 0.731}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 4.470382713347705, "aff_pf": -0.14006186525026956, "aff_hs": 0.24324709177017212, "repeats_pf": {"runs": 3, "values": [-0.0359, -0.1406, -0.2437], "mean": -0.1401, "spread": 0.2078}, "repeats_hs": {"runs": 3, "values": [0.2223, 0.2079, 0.2996], "mean": 0.2432, "spread": 0.0917}, "at": 1787854713}, "tier": 1, "relegate_reason": [], "submitted_at": 1787799737, "scored_at": 1787854713, "alerts": [], "rank": 5097}, {"candidate_id": "ODC-EB78AB", "res_at": 1786816704, "skeleton": "IRQKNLCKLBAFOK", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········)cn12", "total": 18.902, "axes": {"activity": 4.57, "binding": 6.45, "selectivity": 1.59, "admet": 2.63, "novelty": 2.2, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 4.874, "fraction": 0.152}, "binding": {"pIC50": 5.97, "LE": 0.314, "potency_term": 0.323, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.246, "target_engagement": 0.323}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.355, "ld50-zhu": 0.592, "herg": 0.05, "dili": 0.833}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.874002010005525, "aff_pf": 0.03219758967558543, "aff_hs": 0.5238598585128784, "repeats_pf": {"runs": 3, "values": [0.0608, 0.1069, -0.0711], "mean": 0.0322, "spread": 0.178}, "repeats_hs": {"runs": 3, "values": [0.301, 0.7072, 0.5634], "mean": 0.5239, "spread": 0.4062}, "at": 1786816704}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789574, "scored_at": 1786816704, "alerts": [], "rank": 5098}, {"candidate_id": "ODC-2B87C0", "res_at": 1787057913, "skeleton": "CFLXPUCDCVBTKB", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········)c2s1", "total": 18.893, "axes": {"activity": 1.23, "binding": 8.31, "selectivity": 2.65, "admet": 1.96, "novelty": 3.04, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 4.674, "fraction": 0.041}, "binding": {"pIC50": 6.25, "LE": 0.306, "potency_term": 0.415, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.415}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.06, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.703, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 4.673771908089809, "aff_pf": -0.24619914094607034, "aff_hs": 0.390619491537412, "repeats_pf": {"runs": 3, "values": [-0.2314, -0.3209, -0.1863], "mean": -0.2462, "spread": 0.1346}, "repeats_hs": {"runs": 3, "values": [0.6716, 0.2944, 0.2059], "mean": 0.3906, "spread": 0.4657}, "at": 1787057913}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057441, "scored_at": 1787057913, "alerts": [], "rank": 5099}, {"candidate_id": "ODC-E3A004", "res_at": 1789928084, "skeleton": "LFNYUQUQDKEBMV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········nc2c1", "total": 18.882, "axes": {"activity": 8.84, "binding": 3.67, "selectivity": 1.24, "admet": 2.31, "novelty": 1.5, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 5.55, "LE": 0.304, "potency_term": 0.184, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.257, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.51, "cyp2c9-veith": 0.184, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.577, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.130539036500159, "aff_pf": 0.44931790232658386, "aff_hs": 1.1266812483469646, "repeats_pf": {"runs": 3, "values": [0.414, 0.408, 0.526], "mean": 0.4493, "spread": 0.118}, "repeats_hs": {"runs": 3, "values": [1.0713, 1.1828, 1.126], "mean": 1.1267, "spread": 0.1116}, "at": 1789928084}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [18.077, 19.384], "relegate_reason": [], "submitted_at": 1789778634, "scored_at": 1789928084, "rank": 5100}, {"candidate_id": "ODC-AFBA89", "res_at": 1789360995, "skeleton": "IZFBRVAMDPOTLH", "hf_user": "Bio-JS", "display_name": "0914-S1-div20", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 18.874, "axes": {"activity": 6.85, "binding": 6.08, "selectivity": 0.7, "admet": 2.06, "novelty": 1.88, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.011, "fraction": 0.228}, "binding": {"pIC50": 5.91, "LE": 0.324, "potency_term": 0.304, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.116, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.688, "caco2-wang": 0.506, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.426, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.010746542561017, "aff_pf": 0.08782281850775082, "aff_hs": 0.3194119135538737, "repeats_pf": {"runs": 3, "values": [-0.0334, 0.072, 0.2248], "mean": 0.0878, "spread": 0.2583}, "repeats_hs": {"runs": 3, "values": [0.4928, 0.2305, 0.2349], "mean": 0.3194, "spread": 0.2623}, "at": 1789360995}, "tier": 1, "alerts": [], "total_sd": 1.041, "total_ci95": [16.714, 20.89], "relegate_reason": [], "submitted_at": 1789346155, "scored_at": 1789360995, "rank": 5101}, {"candidate_id": "ODC-A3A7DA", "res_at": 1787219818, "skeleton": "WDKLKYKPJVOQLE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 18.84, "axes": {"activity": 11.32, "binding": 0.32, "selectivity": 0.0, "admet": 3.14, "novelty": 2.69, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.279, "fraction": 0.377}, "binding": {"pIC50": 5.05, "LE": 0.266, "potency_term": 0.018, "efficiency_cap": 0.888}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.018}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.541, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.885, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.563, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 5.279021099871865, "aff_pf": 0.9460233251253763, "aff_hs": 0.6240001519521078, "repeats_pf": {"runs": 3, "values": [0.9445, 0.9568, 0.9368], "mean": 0.946, "spread": 0.0201}, "repeats_hs": {"runs": 3, "values": [0.6141, 0.6632, 0.5947], "mean": 0.624, "spread": 0.0685}, "at": 1787219818}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217301, "scored_at": 1787219818, "alerts": [], "rank": 5102}, {"candidate_id": "ODC-3CB141", "res_at": 1787281708, "skeleton": "PMLBEPWKIDBTBG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········)F)c1", "total": 18.838, "axes": {"activity": 11.43, "binding": 2.05, "selectivity": 0.21, "admet": 2.0, "novelty": 1.83, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.286, "fraction": 0.381}, "binding": {"pIC50": 5.38, "LE": 0.246, "potency_term": 0.125, "efficiency_cap": 0.818}, "selectivity": {"fold": 1.5, "selectivity_term": 0.084, "target_engagement": 0.125}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.119, "cyp3a4-substrate-carbonmangels": 0.069, "ld50-zhu": 0.564, "herg": 0.05, "dili": 0.757}}, "novelty": {"max_tanimoto": 0.521, "novelty": 0.479}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "3", "pAct_q10": 5.286038320250238, "aff_pf": 0.6237703462441763, "aff_hs": 0.7909734845161438, "repeats_pf": {"runs": 3, "values": [0.6935, 0.7197, 0.4581], "mean": 0.6238, "spread": 0.2616}, "repeats_hs": {"runs": 3, "values": [0.8177, 0.8044, 0.7508], "mean": 0.791, "spread": 0.067}, "at": 1787281708}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276229, "scored_at": 1787281708, "alerts": [], "rank": 5103}, {"candidate_id": "ODC-B12001", "res_at": 1787200086, "skeleton": "MACOPAWYFAZSJU", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-07-EtO-F", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········3)cn1", "total": 18.836, "axes": {"activity": 9.98, "binding": 2.41, "selectivity": 0.0, "admet": 2.85, "novelty": 2.36, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.199, "fraction": 0.333}, "binding": {"pIC50": 5.38, "LE": 0.284, "potency_term": 0.128, "efficiency_cap": 0.945}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.128}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.541, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 5.199068482754111, "aff_pf": 0.6171166102091471, "aff_hs": 0.23366534213225046, "repeats_pf": {"runs": 3, "values": [0.6189, 0.6453, 0.5871], "mean": 0.6171, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [0.2517, 0.1781, 0.2712], "mean": 0.2337, "spread": 0.0931}, "at": 1787200086}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195566, "scored_at": 1787200086, "alerts": [], "rank": 5104}, {"candidate_id": "ODC-2251B5", "res_at": 1786837214, "skeleton": "POYNQQAGXNFUSL", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cnc12", "total": 18.814, "axes": {"activity": 5.17, "binding": 6.28, "selectivity": 1.74, "admet": 2.3, "novelty": 1.78, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 4.91, "fraction": 0.172}, "binding": {"pIC50": 5.94, "LE": 0.388, "potency_term": 0.314, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.314}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.157, "ld50-zhu": 0.289, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "2", "pAct_q10": 4.910109289498698, "aff_pf": 0.058380196491877236, "aff_hs": 0.6139626502990723, "repeats_pf": {"runs": 3, "values": [0.0487, 0.1365, -0.0101], "mean": 0.0584, "spread": 0.1466}, "repeats_hs": {"runs": 3, "values": [0.6538, 0.6123, 0.5758], "mean": 0.614, "spread": 0.0779}, "at": 1786837214}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804213, "scored_at": 1786837214, "alerts": [], "rank": 5105}, {"candidate_id": "ODC-698F14", "res_at": 1786875057, "skeleton": "SVBRCNGLYYMQKF", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1[n··········)cc1F", "total": 18.807, "axes": {"activity": 9.29, "binding": 4.14, "selectivity": 0.0, "admet": 1.95, "novelty": 1.94, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.158, "fraction": 0.31}, "binding": {"pIC50": 5.62, "LE": 0.308, "potency_term": 0.207, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.207}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.995, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.571, "herg": 0.516, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.157664636975304, "aff_pf": 0.3788890739281972, "aff_hs": 0.2235217640797297, "repeats_pf": {"runs": 3, "values": [0.3561, 0.4309, 0.3496], "mean": 0.3789, "spread": 0.0813}, "repeats_hs": {"runs": 3, "values": [0.2003, 0.3261, 0.1442], "mean": 0.2235, "spread": 0.1819}, "at": 1786875057}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866975, "scored_at": 1786875057, "alerts": [], "rank": 5106}, {"candidate_id": "ODC-902D4D", "res_at": 1787078971, "skeleton": "MJXXXDHBOPHWTE", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········)nn12", "total": 18.798, "axes": {"activity": 11.06, "binding": 1.78, "selectivity": 0.0, "admet": 1.91, "novelty": 2.67, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.263, "fraction": 0.369}, "binding": {"pIC50": 5.36, "LE": 0.222, "potency_term": 0.12, "efficiency_cap": 0.742}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.346, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.382, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.23, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.532, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.263328368195307, "aff_pf": 0.6407088140646616, "aff_hs": 0.4731730322043101, "repeats_pf": {"runs": 3, "values": [0.4899, 0.6523, 0.7799], "mean": 0.6407, "spread": 0.29}, "repeats_hs": {"runs": 3, "values": [0.6741, 0.4494, 0.2961], "mean": 0.4732, "spread": 0.378}, "at": 1787078971}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067073, "scored_at": 1787078971, "alerts": [], "rank": 5107}, {"candidate_id": "ODC-E211FB", "res_at": 1787349357, "skeleton": "SNJBWIGERDIWBA", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········CCCC1", "total": 18.768, "axes": {"activity": 11.58, "binding": 1.55, "selectivity": 0.0, "admet": 1.78, "novelty": 2.36, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.295, "fraction": 0.386}, "binding": {"pIC50": 5.32, "LE": 0.221, "potency_term": 0.105, "efficiency_cap": 0.736}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.105}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 0.662, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.392, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.613}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.294850608325879, "aff_pf": 0.6837281783421835, "aff_hs": -0.0546142061551412, "repeats_pf": {"runs": 3, "values": [0.8075, 0.6048, 0.6388], "mean": 0.6837, "spread": 0.2027}, "repeats_hs": {"runs": 3, "values": [-0.2767, -0.185, 0.2979], "mean": -0.0546, "spread": 0.5746}, "at": 1787349357}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347637, "scored_at": 1787349357, "alerts": [], "rank": 5108}, {"candidate_id": "ODC-34411D", "res_at": 1789580091, "skeleton": "ZMPNFTYBOAFDOO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········cncc1", "total": 18.756, "axes": {"activity": 8.42, "binding": 4.04, "selectivity": 1.79, "admet": 1.38, "novelty": 2.1, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 5.105, "fraction": 0.281}, "binding": {"pIC50": 5.84, "LE": 0.216, "potency_term": 0.28, "efficiency_cap": 0.721}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.28}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.644, "hia-hou": 0.988, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.63, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.802, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "0", "pAct_q10": 5.1053504011927435, "aff_pf": 0.159196267525355, "aff_hs": 0.7994243701299032, "repeats_pf": {"runs": 3, "values": [0.0208, 0.3835, 0.0732], "mean": 0.1592, "spread": 0.3627}, "repeats_hs": {"runs": 3, "values": [0.6488, 0.8575, 0.892], "mean": 0.7994, "spread": 0.2432}, "at": 1789580091}, "tier": 1, "alerts": [], "total_sd": 1.015, "total_ci95": [16.792, 20.507], "relegate_reason": [], "submitted_at": 1789571904, "scored_at": 1789580091, "rank": 5109}, {"candidate_id": "ODC-F376EE", "res_at": 1788790797, "skeleton": "UTTAAJLXNGQQTE", "hf_user": "Bio-JS", "display_name": "0907-S1-10", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 18.74, "axes": {"activity": 10.85, "binding": 1.5, "selectivity": 0.64, "admet": 1.66, "novelty": 2.3, "synthesis": 1.78}, "detail": {"activity": {"pAct_q10": 5.251, "fraction": 0.362}, "binding": {"pIC50": 5.29, "LE": 0.234, "potency_term": 0.096, "efficiency_cap": 0.779}, "selectivity": {"fold": 4.6, "selectivity_term": 0.334, "target_engagement": 0.096}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.251184410077745, "aff_pf": 0.7105076412359873, "aff_hs": 1.3776846329371135, "repeats_pf": {"runs": 3, "values": [0.194, 0.9479, 0.9896], "mean": 0.7105, "spread": 0.7956}, "repeats_hs": {"runs": 3, "values": [1.4213, 1.4682, 1.2435], "mean": 1.3777, "spread": 0.2247}, "at": 1788790797}, "tier": 1, "alerts": [], "total_sd": 1.866, "total_ci95": [16.658, 24.369], "relegate_reason": [], "submitted_at": 1788707697, "scored_at": 1788790797, "rank": 5110}, {"candidate_id": "ODC-4C9D28", "res_at": 1787932418, "skeleton": "AGISJPLSFRECDK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cnc··········)c2c1", "total": 18.731, "axes": {"activity": 10.61, "binding": 1.44, "selectivity": 0.18, "admet": 2.69, "novelty": 2.15, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.237, "fraction": 0.354}, "binding": {"pIC50": 5.22, "LE": 0.311, "potency_term": 0.072, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.072}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.58, "ld50-zhu": 0.163, "herg": 0.203, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.23651297587678, "aff_pf": 0.7832773129145304, "aff_hs": 1.0344495177268982, "repeats_pf": {"runs": 3, "values": [0.812, 0.6714, 0.8664], "mean": 0.7833, "spread": 0.195}, "repeats_hs": {"runs": 3, "values": [1.0132, 0.9963, 1.0939], "mean": 1.0344, "spread": 0.0976}, "at": 1787932418}, "tier": 1, "relegate_reason": [], "submitted_at": 1787907255, "scored_at": 1787932418, "alerts": [], "rank": 5111}, {"candidate_id": "ODC-875BBF", "res_at": 1786842075, "skeleton": "VTYGZROQJBZOQP", "hf_user": "kaloan", "display_name": "kaloan", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········2)cc1", "total": 18.729, "axes": {"activity": 8.81, "binding": 3.22, "selectivity": 0.32, "admet": 2.88, "novelty": 2.03, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.128, "fraction": 0.294}, "binding": {"pIC50": 5.48, "LE": 0.395, "potency_term": 0.161, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.161}, "admet": {"geometric_mean": 0.654, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.608, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.525, "herg": 1.0, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "1", "pAct_q10": 5.12838867670922, "aff_pf": 0.5172371665636698, "aff_hs": 0.7184300025304159, "repeats_pf": {"runs": 3, "values": [0.5248, 0.4907, 0.5363], "mean": 0.5172, "spread": 0.0456}, "repeats_hs": {"runs": 3, "values": [0.7229, 0.8101, 0.6223], "mean": 0.7184, "spread": 0.1878}, "at": 1786842075}, "tier": 1, "relegate_reason": [], "submitted_at": 1786808802, "scored_at": 1786842075, "alerts": [], "rank": 5112}, {"candidate_id": "ODC-DE891E", "res_at": 1787240327, "skeleton": "BXWXNSHAWMEVFC", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 18.72, "axes": {"activity": 10.77, "binding": 1.84, "selectivity": 0.31, "admet": 1.72, "novelty": 2.43, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.246, "fraction": 0.359}, "binding": {"pIC50": 5.36, "LE": 0.229, "potency_term": 0.12, "efficiency_cap": 0.765}, "selectivity": {"fold": 1.8, "selectivity_term": 0.131, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.133, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.633, "ld50-zhu": 0.508, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.246165072182767, "aff_pf": 0.639766256014506, "aff_hs": 0.9010361035664877, "repeats_pf": {"runs": 3, "values": [0.7045, 0.5699, 0.6449], "mean": 0.6398, "spread": 0.1346}, "repeats_hs": {"runs": 3, "values": [0.8145, 0.8459, 1.0427], "mean": 0.901, "spread": 0.2283}, "at": 1787240327}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234371, "scored_at": 1787240327, "alerts": [], "rank": 5113}, {"candidate_id": "ODC-488B33", "res_at": 1787342702, "skeleton": "GGDUTFKPBFNRCF", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "Cc1nnc2cc(-c3ccc(-c4ccccc4)cc3)cnc2c1-c1ccc(C(C)(C#N)N2CCOCC2)cc1", "smiles_masked": null, "total": 18.714, "axes": {"activity": 9.98, "binding": 3.63, "selectivity": 0.0, "admet": 1.46, "novelty": 2.37, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.199, "fraction": 0.333}, "binding": {"pIC50": 5.8, "LE": 0.204, "potency_term": 0.267, "efficiency_cap": 0.679}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.267}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.317, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.597, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 5.198510586765858, "aff_pf": 0.19790198902289072, "aff_hs": -0.5876141985257467, "repeats_pf": {"runs": 3, "values": [0.1411, 0.2209, 0.2317], "mean": 0.1979, "spread": 0.0906}, "repeats_hs": {"runs": 3, "values": [-0.6866, -0.4189, -0.6574], "mean": -0.5876, "spread": 0.2677}, "at": 1787342702}, "tier": 1, "relegate_reason": [], "submitted_at": 1787342496, "scored_at": 1787342702, "alerts": [], "rank": 5114}, {"candidate_id": "ODC-5D4570", "res_at": 1787364943, "skeleton": "PVKTZPPSRBRIFZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 18.714, "axes": {"activity": 11.11, "binding": 0.45, "selectivity": 0.0, "admet": 3.12, "novelty": 2.75, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.267, "fraction": 0.37}, "binding": {"pIC50": 5.08, "LE": 0.249, "potency_term": 0.027, "efficiency_cap": 0.829}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.027}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.467, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.756, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.726, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.266603570403625, "aff_pf": 0.9189960360527039, "aff_hs": 0.3060547212759654, "repeats_pf": {"runs": 3, "values": [0.9291, 0.9711, 0.8568], "mean": 0.919, "spread": 0.1143}, "repeats_hs": {"runs": 3, "values": [0.3646, 0.2677, 0.2859], "mean": 0.3061, "spread": 0.0968}, "at": 1787364943}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364594, "scored_at": 1787364943, "alerts": [], "rank": 5115}, {"candidate_id": "ODC-6168A2", "res_at": 1789347308, "skeleton": "KWYZJAPXCQYWPK", "hf_user": "Bio-JS", "display_name": "0914-S1-div02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Cl", "total": 18.64, "axes": {"activity": 9.17, "binding": 3.9, "selectivity": 0.11, "admet": 2.45, "novelty": 1.67, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.15, "fraction": 0.306}, "binding": {"pIC50": 5.59, "LE": 0.306, "potency_term": 0.195, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.028, "target_engagement": 0.195}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.77, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.71, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.306, "herg": 0.578, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.15002517079201, "aff_pf": 0.4147374629974365, "aff_hs": 0.47058922052383423, "repeats_pf": {"runs": 3, "values": [0.3706, 0.3926, 0.481], "mean": 0.4147, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [0.4869, 0.4416, 0.4832], "mean": 0.4706, "spread": 0.0453}, "at": 1789347308}, "tier": 1, "alerts": [], "total_sd": 0.238, "total_ci95": [18.286, 19.038], "relegate_reason": [], "submitted_at": 1789346069, "scored_at": 1789347308, "rank": 5116}, {"candidate_id": "ODC-C1453F", "res_at": 1789877323, "skeleton": "WREKEYWZZAOAQW", "hf_user": "Bio-JS", "display_name": "0917-S1-div22", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Cl", "total": 18.628, "axes": {"activity": 9.36, "binding": 3.6, "selectivity": 0.01, "admet": 2.68, "novelty": 1.88, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 5.54, "LE": 0.316, "potency_term": 0.18, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.572, "per_endpoint": {"solubility-aqsoldb": 0.544, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.808, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.301, "herg": 0.77, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "2", "pAct_q10": 5.161705077122347, "aff_pf": 0.46040921409924823, "aff_hs": 0.46350576480229694, "repeats_pf": {"runs": 3, "values": [0.452, 0.4801, 0.4491], "mean": 0.4604, "spread": 0.031}, "repeats_hs": {"runs": 3, "values": [0.523, 0.4654, 0.4022], "mean": 0.4635, "spread": 0.1208}, "at": 1789877323}, "tier": 1, "alerts": [], "total_sd": 0.07, "total_ci95": [18.499, 18.782], "relegate_reason": [], "submitted_at": 1789628639, "scored_at": 1789877323, "rank": 5117}, {"candidate_id": "ODC-3B83E0", "res_at": 1787145134, "skeleton": "VZDCQTIURHDRGY", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 18.626, "axes": {"activity": 3.84, "binding": 7.16, "selectivity": 1.84, "admet": 3.08, "novelty": 0.99, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 4.83, "fraction": 0.128}, "binding": {"pIC50": 6.07, "LE": 0.378, "potency_term": 0.358, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.257, "target_engagement": 0.358}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.488, "ld50-zhu": 0.487, "herg": 0.572, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.830315879077475, "aff_pf": -0.07389000058174133, "aff_hs": 0.43989898761113483, "repeats_pf": {"runs": 3, "values": [-0.1324, -0.1075, 0.0183], "mean": -0.0739, "spread": 0.1507}, "repeats_hs": {"runs": 3, "values": [0.3584, 0.5285, 0.4328], "mean": 0.4399, "spread": 0.1701}, "at": 1787145134}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143067, "scored_at": 1787145134, "alerts": [], "rank": 5118}, {"candidate_id": "ODC-57A19C", "res_at": 1789100731, "skeleton": "PZORXSUPMYATLG", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "GPT", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(N)c1··········nc2n1", "total": 18.616, "axes": {"activity": 11.83, "binding": 0.96, "selectivity": 0.28, "admet": 2.8, "novelty": 1.55, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.31, "fraction": 0.394}, "binding": {"pIC50": 5.18, "LE": 0.245, "potency_term": 0.059, "efficiency_cap": 0.815}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.059}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 0.291, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.996, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.808, "ld50-zhu": 0.915, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.607, "novelty": 0.393}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "0", "pAct_q10": 5.309660843402885, "aff_pf": 0.8236313859621683, "aff_hs": 1.2924197912216187, "repeats_pf": {"runs": 3, "values": [0.9001, 0.8231, 0.7477], "mean": 0.8236, "spread": 0.1523}, "repeats_hs": {"runs": 3, "values": [1.0898, 1.3572, 1.4303], "mean": 1.2924, "spread": 0.3405}, "at": 1789100731}, "tier": 1, "alerts": [], "total_sd": 0.29, "total_ci95": [18.078, 19.232], "relegate_reason": [], "submitted_at": 1789092976, "scored_at": 1789100731, "rank": 5119}, {"candidate_id": "ODC-9B4090", "res_at": 1787350768, "skeleton": "SRZIGFVNFSLEOU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········CCCC1", "total": 18.609, "axes": {"activity": 11.97, "binding": 0.8, "selectivity": 0.0, "admet": 1.99, "novelty": 2.36, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.318, "fraction": 0.399}, "binding": {"pIC50": 5.17, "LE": 0.215, "potency_term": 0.056, "efficiency_cap": 0.715}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.056}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.069, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 0.83, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.938, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.564, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.318485602644844, "aff_pf": 0.8321476380030314, "aff_hs": 0.69746133685112, "repeats_pf": {"runs": 3, "values": [0.8696, 1.0161, 0.6107], "mean": 0.8321, "spread": 0.4054}, "repeats_hs": {"runs": 3, "values": [1.0194, -0.1377, 1.2107], "mean": 0.6975, "spread": 1.3483}, "at": 1787350768}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347687, "scored_at": 1787350768, "alerts": [], "rank": 5120}, {"candidate_id": "ODC-503BCB", "res_at": 1787220013, "skeleton": "YNYFWMFWMXSKSA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 18.605, "axes": {"activity": 10.78, "binding": 0.94, "selectivity": 0.0, "admet": 2.94, "novelty": 2.6, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.359}, "binding": {"pIC50": 4.77, "LE": 0.251, "potency_term": 0.056, "efficiency_cap": 0.838}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.623, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 0.831, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.48, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 5.247065916028691, "aff_pf": 1.2307652235031128, "aff_hs": 0.9928340315818787, "repeats_pf": {"runs": 3, "values": [1.1053, 1.5104, 1.0766], "mean": 1.2308, "spread": 0.4338}, "repeats_hs": {"runs": 3, "values": [0.6562, 1.0912, 1.2311], "mean": 0.9928, "spread": 0.5749}, "at": 1787220013}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217310, "scored_at": 1787220013, "alerts": [], "rank": 5121}, {"candidate_id": "ODC-7DE1B3", "res_at": 1789490935, "skeleton": "BRIYOPBCUXGYLR", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········F)c1F", "total": 18.602, "axes": {"activity": 2.15, "binding": 8.11, "selectivity": 0.25, "admet": 3.14, "novelty": 2.93, "synthesis": 2.03}, "detail": {"activity": {"pAct_q10": 4.729, "fraction": 0.072}, "binding": {"pIC50": 6.22, "LE": 0.355, "potency_term": 0.405, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.031, "target_engagement": 0.405}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.909, "ld50-zhu": 0.607, "herg": 0.754, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "0", "pAct_q10": 4.729051923426862, "aff_pf": -0.2164042592048645, "aff_hs": -0.15528006851673126, "repeats_pf": {"runs": 3, "values": [-0.1645, -0.3746, -0.1101], "mean": -0.2164, "spread": 0.2645}, "repeats_hs": {"runs": 3, "values": [-0.0839, -0.2231, -0.1588], "mean": -0.1553, "spread": 0.1392}, "at": 1789490935}, "tier": 1, "alerts": [], "total_sd": 1.179, "total_ci95": [16.938, 21.352], "relegate_reason": [], "submitted_at": 1789490722, "scored_at": 1789490935, "rank": 5122}, {"candidate_id": "ODC-FB9E84", "res_at": 1787233963, "skeleton": "RZRUHANDCKLICC", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 18.599, "axes": {"activity": 11.43, "binding": 0.89, "selectivity": 0.0, "admet": 2.19, "novelty": 2.39, "synthesis": 1.69}, "detail": {"activity": {"pAct_q10": 5.286, "fraction": 0.381}, "binding": {"pIC50": 4.88, "LE": 0.181, "potency_term": 0.074, "efficiency_cap": 0.602}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.336, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.372, "novelty": 0.628}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.285875694640033, "aff_pf": 1.1206767956415813, "aff_hs": 0.28957762320836383, "repeats_pf": {"runs": 3, "values": [1.2292, 1.0696, 1.0633], "mean": 1.1207, "spread": 0.1659}, "repeats_hs": {"runs": 3, "values": [0.188, 0.3673, 0.3135], "mean": 0.2896, "spread": 0.1793}, "at": 1787233963}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231977, "scored_at": 1787233963, "alerts": [], "rank": 5123}, {"candidate_id": "ODC-BED280", "res_at": 1789210089, "skeleton": "REYSPMKQOHKNKT", "hf_user": "Bio-JS", "display_name": "0912-S1-x2COC_anilClCHF2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 18.597, "axes": {"activity": 8.64, "binding": 5.16, "selectivity": 0.39, "admet": 1.76, "novelty": 1.37, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.119, "fraction": 0.288}, "binding": {"pIC50": 5.77, "LE": 0.33, "potency_term": 0.258, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.075, "target_engagement": 0.258}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.592, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.363, "herg": 0.204, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "0", "pAct_q10": 5.118537861899609, "aff_pf": 0.22543331483999887, "aff_hs": 0.3764065404733022, "repeats_pf": {"runs": 3, "values": [0.2861, 0.1709, 0.2193], "mean": 0.2254, "spread": 0.1152}, "repeats_hs": {"runs": 3, "values": [0.4019, 0.3912, 0.3361], "mean": 0.3764, "spread": 0.0658}, "at": 1789210089}, "tier": 1, "alerts": [], "total_sd": 0.263, "total_ci95": [18.07, 19.088], "relegate_reason": [], "submitted_at": 1789177559, "scored_at": 1789210089, "rank": 5124}, {"candidate_id": "ODC-2768B6", "res_at": 1787234156, "skeleton": "OPGROWKJMGJGAD", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 18.573, "axes": {"activity": 11.98, "binding": 0.44, "selectivity": 0.0, "admet": 1.63, "novelty": 2.69, "synthesis": 1.83}, "detail": {"activity": {"pAct_q10": 5.319, "fraction": 0.399}, "binding": {"pIC50": 5.1, "LE": 0.194, "potency_term": 0.034, "efficiency_cap": 0.647}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.034}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.521, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.518, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.319092707853846, "aff_pf": 0.8978891968727112, "aff_hs": 0.34427275756994885, "repeats_pf": {"runs": 3, "values": [0.7918, 0.8162, 1.0857], "mean": 0.8979, "spread": 0.2939}, "repeats_hs": {"runs": 3, "values": [0.4996, 0.1804, 0.3528], "mean": 0.3443, "spread": 0.3192}, "at": 1787234156}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232045, "scored_at": 1787234156, "alerts": [], "rank": 5125}, {"candidate_id": "ODC-7BB48A", "res_at": 1786874872, "skeleton": "HRSXWMPSNVRDEL", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········ncc12", "total": 18.573, "axes": {"activity": 3.85, "binding": 7.2, "selectivity": 0.37, "admet": 2.94, "novelty": 2.57, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 4.831, "fraction": 0.128}, "binding": {"pIC50": 6.08, "LE": 0.347, "potency_term": 0.36, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.36}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.545, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.299, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.427, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 4.831006011185326, "aff_pf": -0.08008079727490743, "aff_hs": 0.022642699380715687, "repeats_pf": {"runs": 3, "values": [-0.2262, -0.052, 0.038], "mean": -0.0801, "spread": 0.2642}, "repeats_hs": {"runs": 3, "values": [0.0668, 0.0044, -0.0033], "mean": 0.0226, "spread": 0.0701}, "at": 1786874872}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866961, "scored_at": 1786874872, "alerts": [], "rank": 5126}, {"candidate_id": "ODC-74C0B1", "res_at": 1787036355, "skeleton": "YVLFXPBPPMSGKK", "hf_user": "epicsaga", "display_name": "PFD2-05", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 18.542, "axes": {"activity": 11.09, "binding": 0.99, "selectivity": 0.0, "admet": 2.79, "novelty": 1.82, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 4.84, "LE": 0.221, "potency_term": 0.067, "efficiency_cap": 0.737}, "selectivity": {"fold": 2.7, "selectivity_term": 0.217, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.529, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.507, "novelty": 0.493}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "3", "pAct_q10": 5.265368549384692, "aff_pf": 1.1576234102249146, "aff_hs": 1.5916080077489216, "repeats_pf": {"runs": 3, "values": [1.1391, 1.1656, 1.1681], "mean": 1.1576, "spread": 0.029}, "repeats_hs": {"runs": 3, "values": [1.3354, 1.5577, 1.8817], "mean": 1.5916, "spread": 0.5463}, "at": 1787036355}, "tier": 1, "relegate_reason": [], "submitted_at": 1787032646, "scored_at": 1787036355, "alerts": [], "rank": 5127}, {"candidate_id": "ODC-8F8107", "res_at": 1789075159, "skeleton": "AICXAEIFWARRFA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········]1)C2", "total": 18.532, "axes": {"activity": 10.59, "binding": 1.82, "selectivity": 0.0, "admet": 2.78, "novelty": 2.51, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 5.235, "fraction": 0.353}, "binding": {"pIC50": 5.0, "LE": 0.274, "potency_term": 0.1, "efficiency_cap": 0.913}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.923, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.524, "herg": 0.64, "dili": 0.141}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 4.35}}, "run": {"gpu": "0", "pAct_q10": 5.235172652753864, "aff_pf": 1.0004274050394695, "aff_hs": 1.2436806758244832, "repeats_pf": {"runs": 3, "values": [0.9874, 0.9696, 1.0443], "mean": 1.0004, "spread": 0.0747}, "repeats_hs": {"runs": 3, "values": [1.2247, 1.3235, 1.1828], "mean": 1.2437, "spread": 0.1407}, "at": 1789075159}, "tier": 1, "alerts": [], "total_sd": 0.81, "total_ci95": [16.744, 18.531], "relegate_reason": [], "submitted_at": 1789045992, "scored_at": 1789075159, "rank": 5128}, {"candidate_id": "ODC-AC3E09", "res_at": 1788445269, "skeleton": "RNINWZOAWCSBOG", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········n2)n1", "total": 18.529, "axes": {"activity": 11.07, "binding": 0.61, "selectivity": 0.0, "admet": 2.8, "novelty": 2.54, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.264, "fraction": 0.369}, "binding": {"pIC50": 5.11, "LE": 0.25, "potency_term": 0.037, "efficiency_cap": 0.833}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.037}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.393, "ld50-zhu": 0.669, "herg": 0.918, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.264389522826358, "aff_pf": 0.8901275992393494, "aff_hs": 0.1826022913058599, "repeats_pf": {"runs": 3, "values": [0.8892, 0.8221, 0.959], "mean": 0.8901, "spread": 0.137}, "repeats_hs": {"runs": 3, "values": [0.2244, 0.1271, 0.1963], "mean": 0.1826, "spread": 0.0974}, "at": 1788445269}, "tier": 1, "alerts": [], "total_sd": 0.174, "total_ci95": [18.273, 18.92], "relegate_reason": [], "submitted_at": 1788366306, "scored_at": 1788445269, "rank": 5129}, {"candidate_id": "ODC-92BCFE", "res_at": 1787931992, "skeleton": "QOCSHQIBGSDRBZ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········1COC1", "total": 18.523, "axes": {"activity": 10.61, "binding": 1.63, "selectivity": 0.0, "admet": 2.9, "novelty": 1.91, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.354}, "binding": {"pIC50": 4.93, "LE": 0.293, "potency_term": 0.083, "efficiency_cap": 0.978}, "selectivity": {"fold": 2.1, "selectivity_term": 0.165, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.626, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.584, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.236428431041585, "aff_pf": 1.0729783376057942, "aff_hs": 1.4021447499593098, "repeats_pf": {"runs": 3, "values": [1.1507, 1.0236, 1.0447], "mean": 1.073, "spread": 0.1271}, "repeats_hs": {"runs": 3, "values": [1.3954, 1.3014, 1.5097], "mean": 1.4021, "spread": 0.2083}, "at": 1787931992}, "tier": 1, "relegate_reason": [], "submitted_at": 1787907053, "scored_at": 1787931992, "alerts": [], "rank": 5130}, {"candidate_id": "ODC-F69F76", "res_at": 1786961344, "skeleton": "AMOLVSZYNIIUSG", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········1CCC1", "total": 18.513, "axes": {"activity": 10.7, "binding": 2.26, "selectivity": 0.0, "admet": 2.01, "novelty": 1.98, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.242, "fraction": 0.357}, "binding": {"pIC50": 5.37, "LE": 0.273, "potency_term": 0.124, "efficiency_cap": 0.909}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.62, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.364, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.8, "herg": 0.134, "dili": 0.261}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.24177207537186, "aff_pf": 0.6266373594601949, "aff_hs": 0.3592843810717265, "repeats_pf": {"runs": 3, "values": [0.622, 0.7431, 0.5149], "mean": 0.6266, "spread": 0.2282}, "repeats_hs": {"runs": 3, "values": [0.3778, 0.3548, 0.3452], "mean": 0.3593, "spread": 0.0326}, "at": 1786961344}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959826, "scored_at": 1786961344, "alerts": [], "rank": 5131}, {"candidate_id": "ODC-E86A0D", "res_at": 1787912781, "skeleton": "YDTZUGLAOGUKRX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCn1c··········2c1=O", "total": 18.511, "axes": {"activity": 5.81, "binding": 6.34, "selectivity": 1.78, "admet": 1.67, "novelty": 1.74, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 4.949, "fraction": 0.194}, "binding": {"pIC50": 6.06, "LE": 0.268, "potency_term": 0.355, "efficiency_cap": 0.893}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.355}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.494, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.92, "herg": 0.05, "dili": 0.22}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "0", "pAct_q10": 4.948531553255995, "aff_pf": -0.0648876925309499, "aff_hs": 0.43586422006289166, "repeats_pf": {"runs": 3, "values": [-0.0568, -0.0, -0.1379], "mean": -0.0649, "spread": 0.1378}, "repeats_hs": {"runs": 3, "values": [0.3389, 0.5474, 0.4213], "mean": 0.4359, "spread": 0.2085}, "at": 1787912781}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898700, "scored_at": 1787912781, "alerts": [], "rank": 5132}, {"candidate_id": "ODC-663E02", "res_at": 1786929538, "skeleton": "BXUVUZUIBSVOTK", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 18.503, "axes": {"activity": 11.7, "binding": 0.45, "selectivity": 0.27, "admet": 2.02, "novelty": 2.12, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 5.09, "LE": 0.232, "potency_term": 0.029, "efficiency_cap": 0.774}, "selectivity": {"fold": 8.5, "selectivity_term": 0.465, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.641, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.334, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 1.96}}, "run": {"gpu": "3", "pAct_q10": 5.30171068987244, "aff_pf": 0.91277015209198, "aff_hs": 1.843530535697937, "repeats_pf": {"runs": 3, "values": [0.7983, 0.9985, 0.9415], "mean": 0.9128, "spread": 0.2002}, "repeats_hs": {"runs": 3, "values": [1.9084, 1.6767, 1.9454], "mean": 1.8435, "spread": 0.2687}, "at": 1786929538}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924559, "scored_at": 1786929538, "alerts": [], "rank": 5133}, {"candidate_id": "ODC-75D341", "res_at": 1786833834, "skeleton": "HGTWJAFFBSZWQO", "hf_user": "scala39", "display_name": "Scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(C··········c2)s1", "total": 18.497, "axes": {"activity": 10.23, "binding": 1.75, "selectivity": 0.0, "admet": 2.41, "novelty": 2.39, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.214, "fraction": 0.341}, "binding": {"pIC50": 5.26, "LE": 0.328, "potency_term": 0.088, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.088}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.868, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.32, "ld50-zhu": 0.5, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "2", "pAct_q10": 5.214011170162444, "aff_pf": 0.7373519539833069, "aff_hs": -0.48887508114178974, "repeats_pf": {"runs": 3, "values": [0.6521, 0.7594, 0.8006], "mean": 0.7374, "spread": 0.1485}, "repeats_hs": {"runs": 3, "values": [-0.5464, -0.4696, -0.4506], "mean": -0.4889, "spread": 0.0959}, "at": 1786833834}, "tier": 1, "relegate_reason": [], "submitted_at": 1786801014, "scored_at": 1786833834, "alerts": [], "rank": 5134}, {"candidate_id": "ODC-050D94", "res_at": 1787220204, "skeleton": "YLLJCKGWKQVNDI", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 18.476, "axes": {"activity": 9.15, "binding": 2.53, "selectivity": 0.89, "admet": 2.54, "novelty": 2.23, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.149, "fraction": 0.305}, "binding": {"pIC50": 5.4, "LE": 0.285, "potency_term": 0.133, "efficiency_cap": 0.949}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.133}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.591, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.882, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.501, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.148996058990159, "aff_pf": 0.5997383991877238, "aff_hs": 1.2695855299631755, "repeats_pf": {"runs": 3, "values": [0.5292, 0.652, 0.6179], "mean": 0.5997, "spread": 0.1228}, "repeats_hs": {"runs": 3, "values": [1.2116, 1.2672, 1.3299], "mean": 1.2696, "spread": 0.1183}, "at": 1787220204}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217319, "scored_at": 1787220204, "alerts": [], "rank": 5135}, {"candidate_id": "ODC-40C357", "res_at": 1786987504, "skeleton": "FQBSLZAAYYCPJZ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(=··········)nn1C", "total": 18.475, "axes": {"activity": 6.42, "binding": 6.46, "selectivity": 0.23, "admet": 1.9, "novelty": 2.18, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 6.02, "LE": 0.284, "potency_term": 0.341, "efficiency_cap": 0.948}, "selectivity": {"fold": 1.2, "selectivity_term": 0.034, "target_engagement": 0.341}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.787, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 4.985089542502805, "aff_pf": -0.02208675940831502, "aff_hs": 0.04613856039941311, "repeats_pf": {"runs": 3, "values": [-0.0227, -0.073, 0.0294], "mean": -0.0221, "spread": 0.1024}, "repeats_hs": {"runs": 3, "values": [-0.1301, 0.0276, 0.2409], "mean": 0.0461, "spread": 0.371}, "at": 1786987504}, "tier": 1, "relegate_reason": [], "submitted_at": 1786983009, "scored_at": 1786987504, "alerts": [], "rank": 5136}, {"candidate_id": "ODC-801326", "res_at": 1788829592, "skeleton": "SGFSPFZUUYPPHI", "hf_user": "daehan1123", "display_name": "Hanguri-Claude-3", "model_name": "Anthropic Claude", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········3)no1", "total": 18.469, "axes": {"activity": 11.25, "binding": 1.5, "selectivity": 0.0, "admet": 1.41, "novelty": 2.46, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.275, "fraction": 0.375}, "binding": {"pIC50": 4.99, "LE": 0.228, "potency_term": 0.099, "efficiency_cap": 0.76}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.293, "ld50-zhu": 0.687, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.274943417847305, "aff_pf": 1.00500092903773, "aff_hs": 0.9868713219960531, "repeats_pf": {"runs": 3, "values": [0.9814, 1.1177, 0.916], "mean": 1.005, "spread": 0.2017}, "repeats_hs": {"runs": 3, "values": [0.9575, 1.0304, 0.9727], "mean": 0.9869, "spread": 0.0728}, "at": 1788829592}, "tier": 1, "alerts": [], "total_sd": 0.582, "total_ci95": [17.052, 18.469], "relegate_reason": [], "submitted_at": 1788827750, "scored_at": 1788829592, "rank": 5137}, {"candidate_id": "ODC-F20045", "res_at": 1789484646, "skeleton": "FBSKCHFGVSSDDZ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(N)Cc··········Cl)c1", "total": 18.466, "axes": {"activity": 4.44, "binding": 6.51, "selectivity": 1.36, "admet": 2.52, "novelty": 2.23, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 4.866, "fraction": 0.148}, "binding": {"pIC50": 5.98, "LE": 0.341, "potency_term": 0.325, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.208, "target_engagement": 0.325}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.536, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.944, "ld50-zhu": 0.487, "herg": 0.632, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 4.866254472968029, "aff_pf": 0.023650132740537327, "aff_hs": 0.4403363863627116, "repeats_pf": {"runs": 3, "values": [0.0438, -0.0011, 0.0282], "mean": 0.0237, "spread": 0.0449}, "repeats_hs": {"runs": 3, "values": [0.4107, 0.3886, 0.5217], "mean": 0.4403, "spread": 0.1332}, "at": 1789484646}, "tier": 1, "alerts": [], "total_sd": 0.22, "total_ci95": [18.061, 18.929], "relegate_reason": [], "submitted_at": 1789483829, "scored_at": 1789484646, "rank": 5138}, {"candidate_id": "ODC-CE9B00", "res_at": 1787129619, "skeleton": "KOUDVPKMYRMLAV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1c(C··········)c1=O", "total": 18.462, "axes": {"activity": 3.39, "binding": 6.68, "selectivity": 2.34, "admet": 2.76, "novelty": 2.69, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.804, "fraction": 0.113}, "binding": {"pIC50": 6.0, "LE": 0.343, "potency_term": 0.334, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.334}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.195, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.725, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.725, "herg": 0.213, "dili": 0.945}}, "novelty": {"max_tanimoto": 0.195, "novelty": 0.805}, "synthesis": {"sa_score": 4.76}}, "run": {"gpu": "3", "pAct_q10": 4.80353113151571, "aff_pf": -0.002442354957262675, "aff_hs": 0.6990582942962646, "repeats_pf": {"runs": 3, "values": [-0.0296, 0.0048, 0.0175], "mean": -0.0024, "spread": 0.0471}, "repeats_hs": {"runs": 3, "values": [0.7256, 0.7135, 0.6582], "mean": 0.6991, "spread": 0.0674}, "at": 1787129619}, "tier": 1, "relegate_reason": [], "submitted_at": 1787117190, "scored_at": 1787129619, "alerts": [], "rank": 5139}, {"candidate_id": "ODC-5301E7", "res_at": 1787058891, "skeleton": "HKVRTLKLMCRWCH", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C2)n1", "total": 18.437, "axes": {"activity": 5.55, "binding": 6.05, "selectivity": 1.16, "admet": 2.81, "novelty": 2.18, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.933, "fraction": 0.185}, "binding": {"pIC50": 5.91, "LE": 0.337, "potency_term": 0.302, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.192, "target_engagement": 0.302}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.628, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.828, "herg": 0.491, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 4.39}}, "run": {"gpu": "3", "pAct_q10": 4.932934197753693, "aff_pf": 0.09282912065585454, "aff_hs": 0.4760271906852722, "repeats_pf": {"runs": 3, "values": [0.0264, -0.0675, 0.3196], "mean": 0.0928, "spread": 0.3871}, "repeats_hs": {"runs": 3, "values": [0.4376, 0.4802, 0.5102], "mean": 0.476, "spread": 0.0726}, "at": 1787058891}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057766, "scored_at": 1787058891, "alerts": [], "rank": 5140}, {"candidate_id": "ODC-ECC9C1", "res_at": 1787059353, "skeleton": "QTJBGJMEOJECCD", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C1CC1", "total": 18.425, "axes": {"activity": 2.87, "binding": 6.77, "selectivity": 3.14, "admet": 2.4, "novelty": 2.5, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.772, "fraction": 0.096}, "binding": {"pIC50": 6.02, "LE": 0.317, "potency_term": 0.339, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.4, "selectivity_term": 0.463, "target_engagement": 0.339}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.541, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.434, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.834, "herg": 0.05, "dili": 0.87}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 4.47}}, "run": {"gpu": "3", "pAct_q10": 4.772164112609926, "aff_pf": -0.015764594078063965, "aff_hs": 0.9106871287027994, "repeats_pf": {"runs": 3, "values": [-0.0188, -0.0025, -0.026], "mean": -0.0158, "spread": 0.0235}, "repeats_hs": {"runs": 3, "values": [0.9163, 0.7965, 1.0192], "mean": 0.9107, "spread": 0.2227}, "at": 1787059353}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057872, "scored_at": 1787059353, "alerts": [], "rank": 5141}, {"candidate_id": "ODC-F99BEA", "res_at": 1787383652, "skeleton": "SNSRKUAPCPPZIJ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cc··········=O)=O", "total": 18.417, "axes": {"activity": 8.83, "binding": 3.55, "selectivity": 1.26, "admet": 1.44, "novelty": 2.0, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.13, "fraction": 0.294}, "binding": {"pIC50": 5.68, "LE": 0.236, "potency_term": 0.226, "efficiency_cap": 0.786}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.226}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.55, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.333, "cyp3a4-substrate-carbonmangels": 0.082, "ld50-zhu": 0.583, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.12957573319526, "aff_pf": 0.3219260325034459, "aff_hs": 0.8813735842704773, "repeats_pf": {"runs": 3, "values": [0.3831, 0.3767, 0.2059], "mean": 0.3219, "spread": 0.1772}, "repeats_hs": {"runs": 3, "values": [0.8646, 0.866, 0.9135], "mean": 0.8814, "spread": 0.0488}, "at": 1787383652}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383104, "scored_at": 1787383652, "alerts": [], "rank": 5142}, {"candidate_id": "ODC-DFFA56", "res_at": 1789964190, "skeleton": "UWHDPINWNJSOCM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 18.402, "axes": {"activity": 9.4, "binding": 3.81, "selectivity": 0.53, "admet": 1.14, "novelty": 1.95, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.164, "fraction": 0.313}, "binding": {"pIC50": 5.82, "LE": 0.21, "potency_term": 0.273, "efficiency_cap": 0.699}, "selectivity": {"fold": 1.6, "selectivity_term": 0.096, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.243, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 0.401, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.784, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.376, "novelty": 0.624}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.1639324073953246, "aff_pf": 0.1819299360116323, "aff_hs": 0.37489118178685504, "repeats_pf": {"runs": 3, "values": [-0.1699, 0.056, 0.6597], "mean": 0.1819, "spread": 0.8296}, "repeats_hs": {"runs": 3, "values": [0.3269, 0.3975, 0.4002], "mean": 0.3749, "spread": 0.0733}, "at": 1789964190}, "tier": 1, "alerts": [], "total_sd": 1.655, "total_ci95": [16.467, 21.974], "relegate_reason": [], "submitted_at": 1789907197, "scored_at": 1789964190, "rank": 5143}, {"candidate_id": "ODC-9682C5", "res_at": 1788500550, "skeleton": "KYHKHMCWXMATGA", "hf_user": "dlghkdueo", "display_name": "R6-B2", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 18.385, "axes": {"activity": 6.53, "binding": 5.71, "selectivity": 0.79, "admet": 2.1, "novelty": 1.82, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 4.992, "fraction": 0.218}, "binding": {"pIC50": 5.86, "LE": 0.334, "potency_term": 0.286, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.286}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.948, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.758, "ld50-zhu": 0.454, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "0", "pAct_q10": 4.992078774984224, "aff_pf": 0.14315151671568552, "aff_hs": 0.41991832852363586, "repeats_pf": {"runs": 3, "values": [0.1384, 0.2093, 0.0818], "mean": 0.1432, "spread": 0.1275}, "repeats_hs": {"runs": 3, "values": [0.3066, 0.584, 0.3692], "mean": 0.4199, "spread": 0.2774}, "at": 1788500550}, "tier": 1, "alerts": [], "total_sd": 0.556, "total_ci95": [17.351, 19.485], "relegate_reason": [], "submitted_at": 1788447519, "scored_at": 1788500550, "rank": 5144}, {"candidate_id": "ODC-A7F57E", "res_at": 1787080930, "skeleton": "LNEFFOSAPGQLND", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 18.372, "axes": {"activity": 4.19, "binding": 7.18, "selectivity": 0.75, "admet": 2.97, "novelty": 2.76, "synthesis": 0.52}, "detail": {"activity": {"pAct_q10": 4.852, "fraction": 0.14}, "binding": {"pIC50": 6.09, "LE": 0.298, "potency_term": 0.362, "efficiency_cap": 0.992}, "selectivity": {"fold": 1.6, "selectivity_term": 0.104, "target_engagement": 0.362}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.594, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.775, "herg": 0.05, "dili": 0.55}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 4.99}}, "run": {"gpu": "2", "pAct_q10": 4.851685054813101, "aff_pf": -0.08527269959449768, "aff_hs": 0.12233801186084747, "repeats_pf": {"runs": 3, "values": [0.0076, -0.0899, -0.1735], "mean": -0.0853, "spread": 0.1812}, "repeats_hs": {"runs": 3, "values": [0.1635, 0.1479, 0.0556], "mean": 0.1223, "spread": 0.1079}, "at": 1787080930}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069506, "scored_at": 1787080930, "alerts": [], "rank": 5145}, {"candidate_id": "ODC-431566", "res_at": 1787126942, "skeleton": "SPSXBHDFSRGIRW", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nnc··········)nc1C", "total": 18.37, "axes": {"activity": 8.81, "binding": 3.59, "selectivity": 0.47, "admet": 2.21, "novelty": 2.13, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.129, "fraction": 0.294}, "binding": {"pIC50": 5.54, "LE": 0.303, "potency_term": 0.179, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.179}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.577, "herg": 0.05, "dili": 0.746}}, "novelty": {"max_tanimoto": 0.275, "novelty": 0.725}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.128784310871133, "aff_pf": 0.4618995090325673, "aff_hs": 0.7250701387723287, "repeats_pf": {"runs": 3, "values": [0.4392, 0.5374, 0.4091], "mean": 0.4619, "spread": 0.1282}, "repeats_hs": {"runs": 3, "values": [0.786, 0.6626, 0.7267], "mean": 0.7251, "spread": 0.1234}, "at": 1787126942}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108388, "scored_at": 1787126942, "alerts": [], "rank": 5146}, {"candidate_id": "ODC-647E89", "res_at": 1789207567, "skeleton": "BXTVWMOESLRYLX", "hf_user": "Bio-JS", "display_name": "0912-S1-x2N_anilOCHF2", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nc2n··········)n2n1", "total": 18.361, "axes": {"activity": 10.78, "binding": 0.63, "selectivity": 0.0, "admet": 3.11, "novelty": 2.17, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.359}, "binding": {"pIC50": 4.58, "LE": 0.273, "potency_term": 0.035, "efficiency_cap": 0.909}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.672, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.544, "cyp3a4-substrate-carbonmangels": 0.763, "ld50-zhu": 0.588, "herg": 0.446, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "0", "pAct_q10": 5.246710344990822, "aff_pf": 1.421246886253357, "aff_hs": 1.5390859842300415, "repeats_pf": {"runs": 3, "values": [1.4952, 1.5786, 1.19], "mean": 1.4212, "spread": 0.3886}, "repeats_hs": {"runs": 3, "values": [1.5425, 1.5565, 1.5183], "mean": 1.5391, "spread": 0.0382}, "at": 1789207567}, "tier": 1, "alerts": [], "total_sd": 0.182, "total_ci95": [18.14, 18.915], "relegate_reason": [], "submitted_at": 1789177539, "scored_at": 1789207567, "rank": 5147}, {"candidate_id": "ODC-E7752E", "res_at": 1788456488, "skeleton": "BZGHFPLJOCCYIG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(CC(c··········cc1Br", "total": 18.347, "axes": {"activity": 5.03, "binding": 6.43, "selectivity": 1.7, "admet": 1.67, "novelty": 2.23, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 4.902, "fraction": 0.168}, "binding": {"pIC50": 6.19, "LE": 0.242, "potency_term": 0.398, "efficiency_cap": 0.808}, "selectivity": {"fold": 2.7, "selectivity_term": 0.213, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.5, "hia-hou": 1.0, "bioavailability-ma": 0.51, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.815, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.776, "herg": 0.063, "dili": 0.161}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 4.901644535005909, "aff_pf": -0.1936334470907847, "aff_hs": 0.2329177955786387, "repeats_pf": {"runs": 3, "values": [-0.294, 0.1272, -0.4141], "mean": -0.1936, "spread": 0.5412}, "repeats_hs": {"runs": 3, "values": [0.2611, 0.2032, 0.2344], "mean": 0.2329, "spread": 0.0579}, "at": 1788456488}, "tier": 1, "alerts": [], "total_sd": 2.065, "total_ci95": [15.372, 21.706], "relegate_reason": [], "submitted_at": 1788394168, "scored_at": 1788456488, "rank": 5148}, {"candidate_id": "ODC-B03DD5", "res_at": 1786905093, "skeleton": "JXMFKWMPFAQZCG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········cc2s1", "total": 18.341, "axes": {"activity": 9.7, "binding": 2.31, "selectivity": 0.0, "admet": 2.43, "novelty": 2.29, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.182, "fraction": 0.323}, "binding": {"pIC50": 5.35, "LE": 0.349, "potency_term": 0.115, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.787, "cyp2c9-veith": 0.285, "cyp3a4-substrate-carbonmangels": 0.832, "ld50-zhu": 0.367, "herg": 0.951, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 5.182085213756941, "aff_pf": 0.6537479360898336, "aff_hs": 0.5550487438837687, "repeats_pf": {"runs": 3, "values": [0.6118, 0.6922, 0.6572], "mean": 0.6537, "spread": 0.0803}, "repeats_hs": {"runs": 3, "values": [0.5138, 0.5544, 0.5969], "mean": 0.555, "spread": 0.083}, "at": 1786905093}, "tier": 1, "relegate_reason": [], "submitted_at": 1786892009, "scored_at": 1786905093, "alerts": [], "rank": 5149}, {"candidate_id": "ODC-FE7634", "res_at": 1787947432, "skeleton": "ZQRYOQKLMQGQHF", "hf_user": "Bio-JS", "display_name": "C2 티에노[3,2-d]피리미딘 x 옥세탄 + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)c2s1", "total": 18.338, "axes": {"activity": 7.32, "binding": 6.09, "selectivity": 0.0, "admet": 1.61, "novelty": 1.96, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.039, "fraction": 0.244}, "binding": {"pIC50": 5.91, "LE": 0.352, "potency_term": 0.305, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.305}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.642, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.039112026427018, "aff_pf": 0.08577220638593037, "aff_hs": -0.34825754165649414, "repeats_pf": {"runs": 3, "values": [0.1495, 0.0369, 0.0709], "mean": 0.0858, "spread": 0.1126}, "repeats_hs": {"runs": 3, "values": [-0.2695, -0.3797, -0.3956], "mean": -0.3483, "spread": 0.1261}, "at": 1787947432}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945068, "scored_at": 1787947432, "alerts": [], "rank": 5150}, {"candidate_id": "ODC-E5D4F8", "res_at": 1786982103, "skeleton": "MFRPFYHGHNGNBJ", "hf_user": "polarbearsong", "display_name": "ODC-R1-07-thienopyridine-oxetane", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········ccc1F", "total": 18.336, "axes": {"activity": 8.3, "binding": 4.96, "selectivity": 0.18, "admet": 1.71, "novelty": 1.82, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.098, "fraction": 0.277}, "binding": {"pIC50": 5.74, "LE": 0.328, "potency_term": 0.248, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.248}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.975, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.222, "ld50-zhu": 0.547, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 5.098081555909386, "aff_pf": 0.2565126419067383, "aff_hs": 0.32828189432621, "repeats_pf": {"runs": 3, "values": [0.2981, 0.2572, 0.2143], "mean": 0.2565, "spread": 0.0838}, "repeats_hs": {"runs": 3, "values": [0.1949, 0.4061, 0.3838], "mean": 0.3283, "spread": 0.2112}, "at": 1786982103}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979316, "scored_at": 1786982103, "alerts": [], "rank": 5151}, {"candidate_id": "ODC-4DBAA4", "res_at": 1787589778, "skeleton": "WRHSEMBUTYMVNP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)s1", "total": 18.328, "axes": {"activity": 8.92, "binding": 4.47, "selectivity": 0.0, "admet": 1.47, "novelty": 2.41, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 5.67, "LE": 0.338, "potency_term": 0.223, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.087, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.084, "ld50-zhu": 0.514, "herg": 0.05, "dili": 0.701}}, "novelty": {"max_tanimoto": 0.19, "novelty": 0.81}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.135160470388874, "aff_pf": 0.33022035161654156, "aff_hs": 0.2618262867132823, "repeats_pf": {"runs": 3, "values": [0.2935, 0.2986, 0.3986], "mean": 0.3302, "spread": 0.1051}, "repeats_hs": {"runs": 3, "values": [0.3721, 0.214, 0.1993], "mean": 0.2618, "spread": 0.1728}, "at": 1787589778}, "tier": 1, "relegate_reason": [], "submitted_at": 1787588383, "scored_at": 1787589778, "alerts": [], "rank": 5152}, {"candidate_id": "ODC-689A08", "res_at": 1787056291, "skeleton": "KQPJSNUABCTVMG", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········O1)C2", "total": 18.303, "axes": {"activity": 1.42, "binding": 7.73, "selectivity": 1.9, "admet": 3.34, "novelty": 2.99, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.685, "fraction": 0.047}, "binding": {"pIC50": 6.16, "LE": 0.402, "potency_term": 0.386, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.246, "target_engagement": 0.386}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.499, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.052, "ld50-zhu": 0.833, "herg": 0.154, "dili": 0.233}}, "novelty": {"max_tanimoto": 0.227, "novelty": 0.773}, "synthesis": {"sa_score": 4.31}}, "run": {"gpu": "3", "pAct_q10": 4.685220880057416, "aff_pf": -0.15910393993059793, "aff_hs": 0.3324710925420125, "repeats_pf": {"runs": 3, "values": [-0.1756, -0.234, -0.0677], "mean": -0.1591, "spread": 0.1663}, "repeats_hs": {"runs": 3, "values": [0.5181, 0.1142, 0.3651], "mean": 0.3325, "spread": 0.404}, "at": 1787056291}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055707, "scored_at": 1787056291, "alerts": [], "rank": 5153}, {"candidate_id": "ODC-693369", "res_at": 1787218400, "skeleton": "QZESEPXSKLVMKV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(N··········cc1=O", "total": 18.297, "axes": {"activity": 1.44, "binding": 7.41, "selectivity": 2.12, "admet": 2.84, "novelty": 2.63, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 4.687, "fraction": 0.048}, "binding": {"pIC50": 6.11, "LE": 0.419, "potency_term": 0.371, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.287, "target_engagement": 0.371}, "admet": {"geometric_mean": 0.511, "per_endpoint": {"solubility-aqsoldb": 0.422, "caco2-wang": 0.981, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.557, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.203, "herg": 1.0, "dili": 0.214}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.686557374872818, "aff_pf": -0.11154264708360036, "aff_hs": 0.46151984731356305, "repeats_pf": {"runs": 3, "values": [-0.2271, -0.0992, -0.0084], "mean": -0.1115, "spread": 0.2187}, "repeats_hs": {"runs": 3, "values": [0.4599, 0.4782, 0.4464], "mean": 0.4615, "spread": 0.0318}, "at": 1787218400}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217097, "scored_at": 1787218400, "alerts": [], "rank": 5154}, {"candidate_id": "ODC-04EF50", "res_at": 1788765787, "skeleton": "SWKOZSLFGHSJEI", "hf_user": "Bio-JS", "display_name": "0906-S1-09 SCF3/CN/R6-Cl/p-CHF2/m-Cl", "model_name": "SAR factorial (no docking)", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········)c1Cl", "total": 18.293, "axes": {"activity": 5.86, "binding": 6.9, "selectivity": 0.25, "admet": 1.66, "novelty": 2.35, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.952, "fraction": 0.195}, "binding": {"pIC50": 6.05, "LE": 0.296, "potency_term": 0.35, "efficiency_cap": 0.987}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.35}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.784, "herg": 0.075, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 4.951504615391135, "aff_pf": -0.048664058248202004, "aff_hs": 0.02277118464310964, "repeats_pf": {"runs": 3, "values": [-0.1317, -0.1018, 0.0875], "mean": -0.0487, "spread": 0.2192}, "repeats_hs": {"runs": 3, "values": [0.0341, 0.0055, 0.0287], "mean": 0.0228, "spread": 0.0286}, "at": 1788765787}, "tier": 1, "alerts": [], "total_sd": 0.925, "total_ci95": [16.223, 19.626], "relegate_reason": [], "submitted_at": 1788665957, "scored_at": 1788765787, "rank": 5155}, {"candidate_id": "ODC-E12495", "res_at": 1788794461, "skeleton": "BUFIPCCQRNUOFU", "hf_user": "Bio-JS", "display_name": "0907-S1-16", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 18.279, "axes": {"activity": 9.42, "binding": 2.91, "selectivity": 0.89, "admet": 1.37, "novelty": 2.11, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.165, "fraction": 0.314}, "binding": {"pIC50": 5.5, "LE": 0.26, "potency_term": 0.168, "efficiency_cap": 0.867}, "selectivity": {"fold": 3.4, "selectivity_term": 0.265, "target_engagement": 0.168}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.568, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.338, "ld50-zhu": 0.323, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.165286017021498, "aff_pf": 0.49571962157885235, "aff_hs": 1.0266010165214539, "repeats_pf": {"runs": 3, "values": [0.3639, 0.466, 0.6573], "mean": 0.4957, "spread": 0.2935}, "repeats_hs": {"runs": 3, "values": [1.1789, 0.9069, 0.994], "mean": 1.0266, "spread": 0.2719}, "at": 1788794461}, "tier": 1, "alerts": [], "total_sd": 0.697, "total_ci95": [17.243, 19.58], "relegate_reason": [], "submitted_at": 1788707729, "scored_at": 1788794461, "rank": 5156}, {"candidate_id": "ODC-840FC5", "res_at": 1786935635, "skeleton": "VZSRZZZKIFUOPJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········F)CC1", "total": 18.259, "axes": {"activity": 9.84, "binding": 1.48, "selectivity": 0.35, "admet": 2.75, "novelty": 2.2, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.19, "fraction": 0.328}, "binding": {"pIC50": 5.29, "LE": 0.234, "potency_term": 0.095, "efficiency_cap": 0.779}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.095}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.713, "caco2-wang": 0.509, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.956, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.19034756607375, "aff_pf": 0.7141123016675314, "aff_hs": 1.0805514653523762, "repeats_pf": {"runs": 3, "values": [0.684, 0.7836, 0.6747], "mean": 0.7141, "spread": 0.109}, "repeats_hs": {"runs": 3, "values": [1.4801, 1.0863, 0.6752], "mean": 1.0806, "spread": 0.8049}, "at": 1786935635}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926691, "scored_at": 1786935635, "alerts": [], "rank": 5157}, {"candidate_id": "ODC-1FD48D", "res_at": 1786968120, "skeleton": "GWAQUUMOCWMAOV", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 18.245, "axes": {"activity": 10.42, "binding": 1.38, "selectivity": 0.17, "admet": 2.94, "novelty": 1.87, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.225, "fraction": 0.347}, "binding": {"pIC50": 5.21, "LE": 0.375, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.069}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.581, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.424, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.268, "herg": 0.268, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.225124467946949, "aff_pf": 0.7931621869405111, "aff_hs": 1.0363008975982666, "repeats_pf": {"runs": 3, "values": [0.7506, 0.8323, 0.7966], "mean": 0.7932, "spread": 0.0817}, "repeats_hs": {"runs": 3, "values": [1.0263, 1.0232, 1.0594], "mean": 1.0363, "spread": 0.0362}, "at": 1786968120}, "tier": 1, "relegate_reason": [], "submitted_at": 1786967798, "scored_at": 1786968120, "alerts": [], "rank": 5158}, {"candidate_id": "ODC-8037B5", "res_at": 1789233796, "skeleton": "ITSAXVNQPPNEJQ", "hf_user": "Bio-JS", "display_name": "0913-S1-div11", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 18.245, "axes": {"activity": 10.83, "binding": 1.0, "selectivity": 0.0, "admet": 2.62, "novelty": 2.23, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.25, "fraction": 0.361}, "binding": {"pIC50": 4.78, "LE": 0.262, "potency_term": 0.057, "efficiency_cap": 0.873}, "selectivity": {"fold": 1.4, "selectivity_term": 0.067, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.644, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.424, "herg": 0.126, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 5.249888975055192, "aff_pf": 1.221951166788737, "aff_hs": 1.355273167292277, "repeats_pf": {"runs": 3, "values": [1.1798, 1.2011, 1.285], "mean": 1.222, "spread": 0.1052}, "repeats_hs": {"runs": 3, "values": [1.6572, 0.9805, 1.4281], "mean": 1.3553, "spread": 0.6767}, "at": 1789233796}, "tier": 1, "alerts": [], "total_sd": 0.07, "total_ci95": [18.088, 18.366], "relegate_reason": [], "submitted_at": 1789226319, "scored_at": 1789233796, "rank": 5159}, {"candidate_id": "ODC-DFC35A", "res_at": 1789405654, "skeleton": "HVVYEMRCLUAQIC", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 18.24, "axes": {"activity": 11.23, "binding": 0.76, "selectivity": 0.0, "admet": 2.78, "novelty": 2.4, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.274, "fraction": 0.374}, "binding": {"pIC50": 4.75, "LE": 0.217, "potency_term": 0.053, "efficiency_cap": 0.722}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.824, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.752, "ld50-zhu": 0.861, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 4.02}}, "run": {"gpu": "0", "pAct_q10": 5.2737667583136645, "aff_pf": 1.2545018593470256, "aff_hs": 2.0670573711395264, "repeats_pf": {"runs": 3, "values": [1.2814, 1.1869, 1.2952], "mean": 1.2545, "spread": 0.1083}, "repeats_hs": {"runs": 3, "values": [2.0424, 2.0701, 2.0887], "mean": 2.0671, "spread": 0.0464}, "at": 1789405654}, "tier": 1, "alerts": [], "total_sd": 0.06, "total_ci95": [18.169, 18.394], "relegate_reason": [], "submitted_at": 1789403525, "scored_at": 1789405654, "rank": 5160}, {"candidate_id": "ODC-F0B60D", "res_at": 1788620362, "skeleton": "VADMICWAGKSHSC", "hf_user": "Lauhel", "display_name": "Mary", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········l)cc1", "total": 18.223, "axes": {"activity": 11.02, "binding": 0.08, "selectivity": 0.0, "admet": 3.02, "novelty": 2.26, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 5.261, "fraction": 0.367}, "binding": {"pIC50": 5.01, "LE": 0.275, "potency_term": 0.004, "efficiency_cap": 0.916}, "selectivity": {"fold": 1.2, "selectivity_term": 0.032, "target_engagement": 0.004}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.762, "cyp2c9-veith": 0.771, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.457, "herg": 0.05, "dili": 0.644}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "0", "pAct_q10": 5.261321278148163, "aff_pf": 0.9870101610819498, "aff_hs": 1.0502162377039592, "repeats_pf": {"runs": 3, "values": [1.0082, 1.0855, 0.8674], "mean": 0.987, "spread": 0.2181}, "repeats_hs": {"runs": 3, "values": [1.0292, 1.0945, 1.0269], "mean": 1.0502, "spread": 0.0677}, "at": 1788620362}, "tier": 1, "alerts": [], "total_sd": 0.664, "total_ci95": [18.222, 19.927], "relegate_reason": [], "submitted_at": 1788617284, "scored_at": 1788620362, "rank": 5161}, {"candidate_id": "ODC-BC2418", "res_at": 1786825534, "skeleton": "GMXPEWZRZFFSSU", "hf_user": "zero-stone", "display_name": "ZERO", "model_name": "gemini", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCOCC[C··········)cc12", "total": 18.211, "axes": {"activity": 11.47, "binding": 0.36, "selectivity": 0.03, "admet": 2.62, "novelty": 2.62, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.288, "fraction": 0.382}, "binding": {"pIC50": 5.08, "LE": 0.211, "potency_term": 0.026, "efficiency_cap": 0.703}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.026}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.483, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.591, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.05, "dili": 0.269}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.95}}, "run": {"gpu": "3", "pAct_q10": 5.287982054712139, "aff_pf": 0.9228484233220419, "aff_hs": 1.032108743985494, "repeats_pf": {"runs": 3, "values": [0.8884, 0.9736, 0.9066], "mean": 0.9228, "spread": 0.0852}, "repeats_hs": {"runs": 3, "values": [1.0571, 0.9466, 1.0926], "mean": 1.0321, "spread": 0.146}, "at": 1786825534}, "tier": 1, "relegate_reason": [], "submitted_at": 1786790203, "scored_at": 1786825534, "alerts": [], "rank": 5162}, {"candidate_id": "ODC-CC328D", "res_at": 1789993598, "skeleton": "GQBDATOSRJJIKU", "hf_user": "Bio-JS", "display_name": "0921-S1-07", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 18.165, "axes": {"activity": 7.96, "binding": 5.77, "selectivity": 0.39, "admet": 1.64, "novelty": 1.06, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 5.93, "LE": 0.28, "potency_term": 0.309, "efficiency_cap": 0.933}, "selectivity": {"fold": 1.3, "selectivity_term": 0.063, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.068, "caco2-wang": 0.824, "hia-hou": 0.77, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.469, "herg": 0.161, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 5.077450615547604, "aff_pf": 0.07216555128494899, "aff_hs": 0.19791966180006662, "repeats_pf": {"runs": 3, "values": [-0.0428, 0.1317, 0.1275], "mean": 0.0722, "spread": 0.1745}, "repeats_hs": {"runs": 3, "values": [0.1878, 0.1831, 0.2229], "mean": 0.1979, "spread": 0.0398}, "at": 1789993598}, "tier": 1, "alerts": [], "total_sd": 0.776, "total_ci95": [17.233, 20.038], "relegate_reason": [], "submitted_at": 1789989851, "scored_at": 1789993598, "rank": 5163}, {"candidate_id": "ODC-4A1015", "res_at": 1787124420, "skeleton": "GSQGTOGJVWRSHN", "hf_user": "polarbearsong", "display_name": "ODC-R3-02-imidazopyrimidine-F", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 18.157, "axes": {"activity": 2.42, "binding": 6.74, "selectivity": 3.1, "admet": 2.59, "novelty": 1.75, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 4.514, "fraction": 0.081}, "binding": {"pIC50": 6.01, "LE": 0.412, "potency_term": 0.337, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.3, "selectivity_term": 0.459, "target_engagement": 0.337}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.565, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.19, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 4.513627961458896, "aff_pf": -0.011052009960015615, "aff_hs": 0.9079443613688151, "repeats_pf": {"runs": 3, "values": [-0.0083, -0.0113, -0.0136], "mean": -0.0111, "spread": 0.0053}, "repeats_hs": {"runs": 3, "values": [0.9056, 0.9094, 0.9088], "mean": 0.9079, "spread": 0.0038}, "at": 1787124420}, "tier": 1, "relegate_reason": [], "submitted_at": 1787107835, "scored_at": 1787124420, "alerts": [], "rank": 5164}, {"candidate_id": "ODC-A7E8A4", "res_at": 1787127518, "skeleton": "ZUGMTDAILWDIHO", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········2)nc1", "total": 18.155, "axes": {"activity": 7.76, "binding": 4.22, "selectivity": 1.75, "admet": 1.91, "novelty": 1.82, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 5.066, "fraction": 0.259}, "binding": {"pIC50": 5.66, "LE": 0.287, "potency_term": 0.221, "efficiency_cap": 0.958}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.221}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.579, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.714, "herg": 0.419, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "3", "pAct_q10": 5.065787145179988, "aff_pf": 0.3383794029553731, "aff_hs": 1.1316909392674763, "repeats_pf": {"runs": 3, "values": [0.2875, 0.292, 0.4357], "mean": 0.3384, "spread": 0.1482}, "repeats_hs": {"runs": 3, "values": [1.1003, 1.1511, 1.1437], "mean": 1.1317, "spread": 0.0508}, "at": 1787127518}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108476, "scored_at": 1787127518, "alerts": [], "rank": 5165}, {"candidate_id": "ODC-246909", "res_at": 1787085949, "skeleton": "FODXHNOLGCWRDD", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Clc1ccc··········2)cc1", "total": 18.154, "axes": {"activity": 12.09, "binding": 0.33, "selectivity": 0.02, "admet": 1.5, "novelty": 2.27, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 5.326, "fraction": 0.403}, "binding": {"pIC50": 5.07, "LE": 0.217, "potency_term": 0.023, "efficiency_cap": 0.723}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.023}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.449, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.397, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 5.325565748611736, "aff_pf": 0.9306175708770752, "aff_hs": 1.032366196314494, "repeats_pf": {"runs": 3, "values": [0.9876, 0.8581, 0.9462], "mean": 0.9306, "spread": 0.1295}, "repeats_hs": {"runs": 3, "values": [1.0324, 1.046, 1.0187], "mean": 1.0324, "spread": 0.0273}, "at": 1787085949}, "tier": 1, "relegate_reason": [], "submitted_at": 1787074203, "scored_at": 1787085949, "alerts": [], "rank": 5166}, {"candidate_id": "ODC-317650", "res_at": 1786892058, "skeleton": "KRZJMHNAHXHSMB", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA-C", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 18.151, "axes": {"activity": 8.59, "binding": 4.38, "selectivity": 1.14, "admet": 1.46, "novelty": 1.28, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.115, "fraction": 0.286}, "binding": {"pIC50": 5.66, "LE": 0.337, "potency_term": 0.219, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.26, "target_engagement": 0.219}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.596, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.556, "herg": 0.05, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.1153844362320395, "aff_pf": 0.3422560493151347, "aff_hs": 0.8624518911043803, "repeats_pf": {"runs": 3, "values": [0.3392, 0.2296, 0.458], "mean": 0.3423, "spread": 0.2284}, "repeats_hs": {"runs": 3, "values": [0.915, 0.8514, 0.8209], "mean": 0.8625, "spread": 0.0941}, "at": 1786892058}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878906, "scored_at": 1786892058, "alerts": [], "rank": 5167}, {"candidate_id": "ODC-2EBC1D", "res_at": 1789871061, "skeleton": "KAISQNZMHDGVRC", "hf_user": "Bio-JS", "display_name": "0917-S1-div04", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········c1C#N", "total": 18.141, "axes": {"activity": 10.34, "binding": 1.55, "selectivity": 0.0, "admet": 2.63, "novelty": 2.21, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.22, "fraction": 0.345}, "binding": {"pIC50": 5.24, "LE": 0.287, "potency_term": 0.081, "efficiency_cap": 0.958}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.081}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.633, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.09, "ld50-zhu": 0.363, "herg": 0.457, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.220415956069755, "aff_pf": 0.7572985291481018, "aff_hs": 0.05800010760625204, "repeats_pf": {"runs": 3, "values": [0.8075, 0.6837, 0.7807], "mean": 0.7573, "spread": 0.1238}, "repeats_hs": {"runs": 3, "values": [0.0994, 0.0214, 0.0532], "mean": 0.058, "spread": 0.078}, "at": 1789871061}, "tier": 1, "alerts": [], "total_sd": 0.206, "total_ci95": [17.809, 18.64], "relegate_reason": [], "submitted_at": 1789628555, "scored_at": 1789871061, "rank": 5168}, {"candidate_id": "ODC-94ADFA", "res_at": 1787639479, "skeleton": "VIEUBOSVMVWEJG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1c(··········F)c1C", "total": 18.135, "axes": {"activity": 7.63, "binding": 5.35, "selectivity": 0.0, "admet": 2.4, "novelty": 1.67, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 5.058, "fraction": 0.254}, "binding": {"pIC50": 5.8, "LE": 0.306, "potency_term": 0.268, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.597, "per_endpoint": {"solubility-aqsoldb": 0.533, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.625, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.538, "herg": 0.918, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 5.058020004998089, "aff_pf": 0.19702096780141196, "aff_hs": 0.1941240429878235, "repeats_pf": {"runs": 3, "values": [0.1298, 0.2134, 0.2478], "mean": 0.197, "spread": 0.1181}, "repeats_hs": {"runs": 3, "values": [0.0869, 0.1803, 0.3152], "mean": 0.1941, "spread": 0.2283}, "at": 1787639479}, "tier": 1, "relegate_reason": [], "submitted_at": 1787637190, "scored_at": 1787639479, "alerts": [], "rank": 5169}, {"candidate_id": "ODC-784E07", "res_at": 1787280189, "skeleton": "FVTGBPXILYUWCU", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········(F)c1", "total": 18.133, "axes": {"activity": 10.66, "binding": 2.76, "selectivity": 0.38, "admet": 1.91, "novelty": 1.26, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.24, "fraction": 0.355}, "binding": {"pIC50": 5.46, "LE": 0.267, "potency_term": 0.155, "efficiency_cap": 0.891}, "selectivity": {"fold": 1.7, "selectivity_term": 0.122, "target_engagement": 0.155}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.231, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.539, "herg": 0.05, "dili": 0.342}}, "novelty": {"max_tanimoto": 0.646, "novelty": 0.354}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "3", "pAct_q10": 5.239658901910391, "aff_pf": 0.5352809528509775, "aff_hs": 0.7783056497573853, "repeats_pf": {"runs": 3, "values": [0.4147, 0.7612, 0.43], "mean": 0.5353, "spread": 0.3465}, "repeats_hs": {"runs": 3, "values": [0.8237, 0.7877, 0.7234], "mean": 0.7783, "spread": 0.1003}, "at": 1787280189}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276174, "scored_at": 1787280189, "alerts": [], "rank": 5170}, {"candidate_id": "ODC-7FDD21", "res_at": 1786982342, "skeleton": "WOQXCXGFTDNCOD", "hf_user": "polarbearsong", "display_name": "ODC-R1-10-methylindazole", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········ccc21", "total": 18.129, "axes": {"activity": 11.51, "binding": 0.01, "selectivity": 0.0, "admet": 2.15, "novelty": 2.54, "synthesis": 1.92}, "detail": {"activity": {"pAct_q10": 5.29, "fraction": 0.384}, "binding": {"pIC50": 5.0, "LE": 0.254, "potency_term": 0.001, "efficiency_cap": 0.846}, "selectivity": {"fold": 2.8, "selectivity_term": 0.227, "target_engagement": 0.001}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.182, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.455, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.05, "dili": 0.887}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "2", "pAct_q10": 5.290393985255873, "aff_pf": 0.99826447168986, "aff_hs": 1.4526827732721965, "repeats_pf": {"runs": 3, "values": [0.9853, 0.9725, 1.0369], "mean": 0.9983, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [1.4794, 1.4984, 1.3803], "mean": 1.4527, "spread": 0.1181}, "at": 1786982342}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979359, "scored_at": 1786982342, "alerts": [], "rank": 5171}, {"candidate_id": "ODC-EC3D9D", "res_at": 1786968305, "skeleton": "YTCBFDYIAHSQRX", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 18.094, "axes": {"activity": 10.61, "binding": 0.41, "selectivity": 0.0, "admet": 3.15, "novelty": 2.15, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.237, "fraction": 0.354}, "binding": {"pIC50": 4.5, "LE": 0.213, "potency_term": 0.029, "efficiency_cap": 0.709}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.655, "caco2-wang": 0.635, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.906, "cyp2c9-veith": 0.985, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.589, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 5.236733984303349, "aff_pf": 1.4973904291788738, "aff_hs": 1.4817307392756145, "repeats_pf": {"runs": 3, "values": [1.5103, 1.4876, 1.4943], "mean": 1.4974, "spread": 0.0228}, "repeats_hs": {"runs": 3, "values": [1.5068, 1.5013, 1.4371], "mean": 1.4817, "spread": 0.0697}, "at": 1786968305}, "tier": 1, "relegate_reason": [], "submitted_at": 1786967807, "scored_at": 1786968305, "alerts": [], "rank": 5172}, {"candidate_id": "ODC-B068AD", "res_at": 1787233564, "skeleton": "MFTUITJNVFWEBP", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 18.092, "axes": {"activity": 11.37, "binding": 0.78, "selectivity": 0.0, "admet": 1.66, "novelty": 2.53, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.282, "fraction": 0.379}, "binding": {"pIC50": 5.17, "LE": 0.203, "potency_term": 0.058, "efficiency_cap": 0.675}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.058}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.569, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.282448615661181, "aff_pf": 0.8261524637540182, "aff_hs": 0.5348691344261169, "repeats_pf": {"runs": 3, "values": [0.8535, 0.8651, 0.7598], "mean": 0.8262, "spread": 0.1053}, "repeats_hs": {"runs": 3, "values": [0.6609, 0.5498, 0.3939], "mean": 0.5349, "spread": 0.267}, "at": 1787233564}, "tier": 1, "relegate_reason": [], "submitted_at": 1787231935, "scored_at": 1787233564, "alerts": [], "rank": 5173}, {"candidate_id": "ODC-05F55F", "res_at": 1786875300, "skeleton": "YTUBAFKFMZAJPZ", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(c··········)(F)F", "total": 18.069, "axes": {"activity": 5.24, "binding": 7.02, "selectivity": 0.0, "admet": 1.7, "novelty": 2.49, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 4.914, "fraction": 0.175}, "binding": {"pIC50": 6.05, "LE": 0.332, "potency_term": 0.351, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.351}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 4.914106193661167, "aff_pf": -0.05346101770798365, "aff_hs": -0.95516304175059, "repeats_pf": {"runs": 3, "values": [-0.104, -0.0036, -0.0528], "mean": -0.0535, "spread": 0.1003}, "repeats_hs": {"runs": 3, "values": [-0.9948, -0.9417, -0.9291], "mean": -0.9552, "spread": 0.0657}, "at": 1786875300}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866992, "scored_at": 1786875300, "alerts": [], "rank": 5174}, {"candidate_id": "ODC-B0559D", "res_at": 1786832715, "skeleton": "ZAUKCOKHHPSMOO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 18.063, "axes": {"activity": 1.01, "binding": 7.81, "selectivity": 3.44, "admet": 2.54, "novelty": 1.43, "synthesis": 1.84}, "detail": {"activity": {"pAct_q10": 4.166, "fraction": 0.034}, "binding": {"pIC50": 6.17, "LE": 0.368, "potency_term": 0.39, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.441, "target_engagement": 0.39}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.282, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.095, "ld50-zhu": 0.275, "herg": 0.738, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.635, "novelty": 0.365}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 4.165855684784098, "aff_pf": -0.17083648840586343, "aff_hs": 0.7114089528719584, "repeats_pf": {"runs": 3, "values": [-0.1039, -0.2052, -0.2034], "mean": -0.1708, "spread": 0.1013}, "repeats_hs": {"runs": 3, "values": [0.6728, 0.7333, 0.7282], "mean": 0.7114, "spread": 0.0605}, "at": 1786832715}, "tier": 1, "relegate_reason": [], "submitted_at": 1786798135, "scored_at": 1786832715, "alerts": [], "rank": 5175}, {"candidate_id": "ODC-C04909", "res_at": 1789367762, "skeleton": "QMZWODAATPNSCF", "hf_user": "Bio-JS", "display_name": "0914-S1-div29", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 18.053, "axes": {"activity": 6.37, "binding": 5.69, "selectivity": 1.31, "admet": 2.16, "novelty": 1.32, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 4.982, "fraction": 0.212}, "binding": {"pIC50": 5.85, "LE": 0.349, "potency_term": 0.284, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.284}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.912, "cyp3a4-substrate-carbonmangels": 0.339, "ld50-zhu": 0.242, "herg": 0.526, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 4.98242043676727, "aff_pf": 0.14707377552986145, "aff_hs": 0.6082304318745931, "repeats_pf": {"runs": 3, "values": [0.2239, 0.1219, 0.0954], "mean": 0.1471, "spread": 0.1285}, "repeats_hs": {"runs": 3, "values": [0.6029, 0.6165, 0.6053], "mean": 0.6082, "spread": 0.0137}, "at": 1789367762}, "tier": 1, "alerts": [], "total_sd": 0.54, "total_ci95": [17.337, 18.917], "relegate_reason": [], "submitted_at": 1789346197, "scored_at": 1789367762, "rank": 5176}, {"candidate_id": "ODC-1EAB3A", "res_at": 1787133591, "skeleton": "NNPSAJWBGPDNBZ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 18.028, "axes": {"activity": 0.85, "binding": 8.04, "selectivity": 1.41, "admet": 3.37, "novelty": 2.34, "synthesis": 2.01}, "detail": {"activity": {"pAct_q10": 4.651, "fraction": 0.028}, "binding": {"pIC50": 6.21, "LE": 0.386, "potency_term": 0.402, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.176, "target_engagement": 0.402}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.989, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.838, "cyp3a4-substrate-carbonmangels": 0.334, "ld50-zhu": 0.464, "herg": 0.428, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "3", "pAct_q10": 4.650755865054513, "aff_pf": -0.20586225390434265, "aff_hs": 0.14593489468097687, "repeats_pf": {"runs": 3, "values": [-0.3557, -0.1129, -0.149], "mean": -0.2059, "spread": 0.2428}, "repeats_hs": {"runs": 3, "values": [0.1414, 0.1434, 0.153], "mean": 0.1459, "spread": 0.0115}, "at": 1787133591}, "tier": 1, "relegate_reason": [], "submitted_at": 1787126846, "scored_at": 1787133591, "alerts": [], "rank": 5177}, {"candidate_id": "ODC-28C1E8", "res_at": 1786930413, "skeleton": "DCEJAUSIJDIGMQ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········C)CC1", "total": 18.014, "axes": {"activity": 10.73, "binding": 1.23, "selectivity": 0.0, "admet": 1.93, "novelty": 2.33, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.244, "fraction": 0.358}, "binding": {"pIC50": 5.23, "LE": 0.239, "potency_term": 0.077, "efficiency_cap": 0.796}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.077}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.557, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.216, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.465, "herg": 0.05, "dili": 0.82}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "2", "pAct_q10": 5.243909009790988, "aff_pf": 0.7675723433494568, "aff_hs": 0.7568386395772299, "repeats_pf": {"runs": 3, "values": [0.7704, 0.7054, 0.827], "mean": 0.7676, "spread": 0.1216}, "repeats_hs": {"runs": 3, "values": [1.3804, 0.4086, 0.4815], "mean": 0.7568, "spread": 0.9718}, "at": 1786930413}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924588, "scored_at": 1786930413, "alerts": [], "rank": 5178}, {"candidate_id": "ODC-2C78D5", "res_at": 1789076167, "skeleton": "KZOSDVXHCRNWTM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········2)CC1", "total": 18.01, "axes": {"activity": 7.01, "binding": 5.04, "selectivity": 1.73, "admet": 1.28, "novelty": 1.72, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.02, "fraction": 0.234}, "binding": {"pIC50": 5.85, "LE": 0.267, "potency_term": 0.283, "efficiency_cap": 0.89}, "selectivity": {"fold": 4.1, "selectivity_term": 0.305, "target_engagement": 0.283}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.206, "ld50-zhu": 0.617, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 5.020468740934695, "aff_pf": 0.15154971182346344, "aff_hs": 0.7619972427686056, "repeats_pf": {"runs": 3, "values": [0.2844, 0.1889, -0.0186], "mean": 0.1515, "spread": 0.303}, "repeats_hs": {"runs": 3, "values": [0.2234, 1.0131, 1.0494], "mean": 0.762, "spread": 0.826}, "at": 1789076167}, "tier": 1, "alerts": [], "total_sd": 1.347, "total_ci95": [15.914, 21.118], "relegate_reason": [], "submitted_at": 1789046007, "scored_at": 1789076167, "rank": 5179}, {"candidate_id": "ODC-BC9ACF", "res_at": 1787290584, "skeleton": "OJPHIHHISBVYDX", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········)cc1F", "total": 18.0, "axes": {"activity": 9.2, "binding": 2.5, "selectivity": 0.0, "admet": 2.98, "novelty": 2.14, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.152, "fraction": 0.307}, "binding": {"pIC50": 5.4, "LE": 0.284, "potency_term": 0.132, "efficiency_cap": 0.948}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.648, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 0.948, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 0.447, "ld50-zhu": 0.744, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.1518946894319395, "aff_pf": 0.6049003899097443, "aff_hs": 0.2340198333064715, "repeats_pf": {"runs": 3, "values": [0.5557, 0.4682, 0.7908], "mean": 0.6049, "spread": 0.3225}, "repeats_hs": {"runs": 3, "values": [0.4754, -0.0274, 0.254], "mean": 0.234, "spread": 0.5028}, "at": 1787290584}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286824, "scored_at": 1787290584, "alerts": [], "rank": 5180}, {"candidate_id": "ODC-51BD2C", "res_at": 1786847430, "skeleton": "RTXVGOCCNUTWQY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)o1", "total": 17.997, "axes": {"activity": 10.23, "binding": 1.55, "selectivity": 0.0, "admet": 2.85, "novelty": 1.98, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.214, "fraction": 0.341}, "binding": {"pIC50": 4.92, "LE": 0.281, "potency_term": 0.083, "efficiency_cap": 0.937}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.72, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.76, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.362, "herg": 0.165, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.21407372396544, "aff_pf": 1.076926827430725, "aff_hs": 0.9793682893117269, "repeats_pf": {"runs": 3, "values": [1.06, 1.1032, 1.0675], "mean": 1.0769, "spread": 0.0432}, "repeats_hs": {"runs": 3, "values": [1.0515, 1.0066, 0.88], "mean": 0.9794, "spread": 0.1715}, "at": 1786847430}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845775, "scored_at": 1786847430, "alerts": [], "rank": 5181}, {"candidate_id": "ODC-B92691", "res_at": 1788457702, "skeleton": "LENCRYIEJPVWQL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········2)cc1", "total": 17.984, "axes": {"activity": 9.32, "binding": 3.59, "selectivity": 0.25, "admet": 1.22, "novelty": 2.3, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.159, "fraction": 0.311}, "binding": {"pIC50": 5.72, "LE": 0.224, "potency_term": 0.24, "efficiency_cap": 0.746}, "selectivity": {"fold": 1.3, "selectivity_term": 0.053, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.164, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.499, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.158935354167932, "aff_pf": 0.278775488336881, "aff_hs": 0.38454777995745343, "repeats_pf": {"runs": 3, "values": [0.3485, 0.4191, 0.0687], "mean": 0.2788, "spread": 0.3504}, "repeats_hs": {"runs": 3, "values": [0.3096, 0.2897, 0.5543], "mean": 0.3845, "spread": 0.2645}, "at": 1788457702}, "tier": 1, "alerts": [], "total_sd": 0.832, "total_ci95": [16.961, 19.947], "relegate_reason": [], "submitted_at": 1788394185, "scored_at": 1788457702, "rank": 5182}, {"candidate_id": "ODC-68C7AF", "res_at": 1786978937, "skeleton": "ZQZUAKSUKBNGGZ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin PF-stat-A", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 17.978, "axes": {"activity": 5.52, "binding": 6.13, "selectivity": 1.35, "admet": 2.22, "novelty": 1.67, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.931, "fraction": 0.184}, "binding": {"pIC50": 6.12, "LE": 0.247, "potency_term": 0.373, "efficiency_cap": 0.822}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.373}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.591, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 0.137, "pgp-broccatelli": 0.667, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.678, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "2", "pAct_q10": 4.93136543182737, "aff_pf": -0.11853262782096863, "aff_hs": 0.2446888486544291, "repeats_pf": {"runs": 3, "values": [0.0483, -0.108, -0.296], "mean": -0.1185, "spread": 0.3443}, "repeats_hs": {"runs": 3, "values": [0.1141, 0.2562, 0.3638], "mean": 0.2447, "spread": 0.2497}, "at": 1786978937}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977021, "scored_at": 1786978937, "alerts": [], "rank": 5183}, {"candidate_id": "ODC-0069EF", "res_at": 1789928758, "skeleton": "PMZPDDUJYNGJMK", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········nc2n1", "total": 17.961, "axes": {"activity": 9.68, "binding": 3.39, "selectivity": 0.0, "admet": 1.98, "novelty": 1.55, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.181, "fraction": 0.323}, "binding": {"pIC50": 5.54, "LE": 0.281, "potency_term": 0.181, "efficiency_cap": 0.938}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.89, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.601, "cyp3a4-substrate-carbonmangels": 0.221, "ld50-zhu": 0.341, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.18057917971125, "aff_pf": 0.45702822009722394, "aff_hs": 0.05514728557318449, "repeats_pf": {"runs": 3, "values": [0.4656, 0.4839, 0.4216], "mean": 0.457, "spread": 0.0623}, "repeats_hs": {"runs": 3, "values": [-0.0256, 0.0017, 0.1894], "mean": 0.0551, "spread": 0.215}, "at": 1789928758}, "tier": 1, "alerts": [], "total_sd": 0.106, "total_ci95": [17.778, 18.206], "relegate_reason": [], "submitted_at": 1789925739, "scored_at": 1789928758, "rank": 5184}, {"candidate_id": "ODC-FA0B1E", "res_at": 1789880515, "skeleton": "LTMKJQQHDMMRKG", "hf_user": "Bio-JS", "display_name": "0917-S1-div21", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 17.948, "axes": {"activity": 8.18, "binding": 4.44, "selectivity": 0.0, "admet": 2.46, "novelty": 1.69, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.091, "fraction": 0.273}, "binding": {"pIC50": 5.67, "LE": 0.311, "potency_term": 0.222, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.222}, "admet": {"geometric_mean": 0.6, "per_endpoint": {"solubility-aqsoldb": 0.532, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.86, "cyp3a4-substrate-carbonmangels": 0.639, "ld50-zhu": 0.748, "herg": 0.314, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.090993068012734, "aff_pf": 0.33365823576847714, "aff_hs": 0.17415751516819, "repeats_pf": {"runs": 3, "values": [0.5614, -0.0462, 0.4857], "mean": 0.3337, "spread": 0.6076}, "repeats_hs": {"runs": 3, "values": [0.1586, 0.1283, 0.2356], "mean": 0.1742, "spread": 0.1073}, "at": 1789880515}, "tier": 1, "alerts": [], "total_sd": 1.478, "total_ci95": [16.41, 22.82], "relegate_reason": [], "submitted_at": 1789628635, "scored_at": 1789880515, "rank": 5185}, {"candidate_id": "ODC-E3360D", "res_at": 1788444101, "skeleton": "IKWBKQNCKQHHDM", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········n2)n1", "total": 17.939, "axes": {"activity": 9.97, "binding": 1.5, "selectivity": 0.0, "admet": 2.58, "novelty": 2.3, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.198, "fraction": 0.332}, "binding": {"pIC50": 4.94, "LE": 0.26, "potency_term": 0.086, "efficiency_cap": 0.868}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.605, "ld50-zhu": 0.487, "herg": 0.836, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 5.198228179172701, "aff_pf": 1.0582573612531025, "aff_hs": 0.2534745583931605, "repeats_pf": {"runs": 3, "values": [1.065, 1.1127, 0.9971], "mean": 1.0583, "spread": 0.1156}, "repeats_hs": {"runs": 3, "values": [0.2125, 0.3031, 0.2448], "mean": 0.2535, "spread": 0.0906}, "at": 1788444101}, "tier": 1, "alerts": [], "total_sd": 0.289, "total_ci95": [16.455, 18.103], "relegate_reason": [], "submitted_at": 1788365960, "scored_at": 1788444101, "rank": 5186}, {"candidate_id": "ODC-E84BCF", "res_at": 1786832171, "skeleton": "WBPREVSPRNZLFD", "hf_user": "scala39", "display_name": "Scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(C··········c2)o1", "total": 17.937, "axes": {"activity": 8.1, "binding": 4.88, "selectivity": 0.0, "admet": 1.86, "novelty": 1.74, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.086, "fraction": 0.27}, "binding": {"pIC50": 5.73, "LE": 0.357, "potency_term": 0.244, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.244}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.838, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.543, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.086237363079237, "aff_pf": 0.2673337211211522, "aff_hs": -0.5025729537010193, "repeats_pf": {"runs": 3, "values": [0.2956, 0.3233, 0.1831], "mean": 0.2673, "spread": 0.1402}, "repeats_hs": {"runs": 3, "values": [-0.5207, -0.4704, -0.5166], "mean": -0.5026, "spread": 0.0503}, "at": 1786832171}, "tier": 1, "relegate_reason": [], "submitted_at": 1786797917, "scored_at": 1786832171, "alerts": [], "rank": 5187}, {"candidate_id": "ODC-FF93F4", "res_at": 1788979977, "skeleton": "TWCPJNBQKPDNSQ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········Cl)c1", "total": 17.922, "axes": {"activity": 6.99, "binding": 4.97, "selectivity": 1.17, "admet": 1.88, "novelty": 1.66, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.02, "fraction": 0.233}, "binding": {"pIC50": 5.75, "LE": 0.328, "potency_term": 0.249, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.235, "target_engagement": 0.249}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.858, "ld50-zhu": 0.573, "herg": 0.903, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 5.019603716966506, "aff_pf": 0.2538287242253621, "aff_hs": 0.724273145198822, "repeats_pf": {"runs": 3, "values": [0.2834, 0.2361, 0.242], "mean": 0.2538, "spread": 0.0473}, "repeats_hs": {"runs": 3, "values": [0.7364, 0.7695, 0.667], "mean": 0.7243, "spread": 0.1025}, "at": 1788979977}, "tier": 1, "alerts": [], "total_sd": 0.223, "total_ci95": [17.447, 18.273], "relegate_reason": [], "submitted_at": 1788972085, "scored_at": 1788979977, "rank": 5188}, {"candidate_id": "ODC-1DC6B7", "res_at": 1787079463, "skeleton": "WHWHUMJNMJEIIP", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 17.914, "axes": {"activity": 5.69, "binding": 5.78, "selectivity": 2.45, "admet": 1.01, "novelty": 1.76, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 4.941, "fraction": 0.19}, "binding": {"pIC50": 6.09, "LE": 0.238, "potency_term": 0.363, "efficiency_cap": 0.795}, "selectivity": {"fold": 4.7, "selectivity_term": 0.337, "target_engagement": 0.363}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.388, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.436, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.05, "herg": 0.05, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 4.941435518322567, "aff_pf": -0.09025816867748897, "aff_hs": 0.5845437745253245, "repeats_pf": {"runs": 3, "values": [-0.1583, -0.0378, -0.0747], "mean": -0.0903, "spread": 0.1205}, "repeats_hs": {"runs": 3, "values": [0.6003, 0.7112, 0.4422], "mean": 0.5845, "spread": 0.269}, "at": 1787079463}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067119, "scored_at": 1787079463, "alerts": [], "rank": 5189}, {"candidate_id": "ODC-F62543", "res_at": 1788499551, "skeleton": "YFYVCQSSIKJFQL", "hf_user": "dlghkdueo", "display_name": "R6-B0", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 17.888, "axes": {"activity": 6.43, "binding": 5.32, "selectivity": 1.29, "admet": 1.93, "novelty": 1.59, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 4.986, "fraction": 0.214}, "binding": {"pIC50": 5.8, "LE": 0.331, "potency_term": 0.266, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.861, "ld50-zhu": 0.476, "herg": 0.78, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.09}}, "run": {"gpu": "0", "pAct_q10": 4.985704833815813, "aff_pf": 0.20219210783640543, "aff_hs": 0.6871258417765299, "repeats_pf": {"runs": 3, "values": [0.2643, 0.2638, 0.0785], "mean": 0.2022, "spread": 0.1858}, "repeats_hs": {"runs": 3, "values": [0.6356, 0.7262, 0.6996], "mean": 0.6871, "spread": 0.0906}, "at": 1788499551}, "tier": 1, "alerts": [], "total_sd": 0.875, "total_ci95": [16.77, 20.045], "relegate_reason": [], "submitted_at": 1788447428, "scored_at": 1788499551, "rank": 5190}, {"candidate_id": "ODC-4736AD", "res_at": 1787031134, "skeleton": "AQYFKFCBSSHDAI", "hf_user": "epicsaga", "display_name": "PFD-07", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········(F)c1", "total": 17.882, "axes": {"activity": 10.29, "binding": 1.89, "selectivity": 0.0, "admet": 1.62, "novelty": 2.47, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 5.34, "LE": 0.252, "potency_term": 0.113, "efficiency_cap": 0.841}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.113}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.737, "herg": 0.062, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 5.2171235345982225, "aff_pf": 0.6619388461112976, "aff_hs": 0.6216639876365662, "repeats_pf": {"runs": 3, "values": [0.8509, 0.5218, 0.6131], "mean": 0.6619, "spread": 0.3291}, "repeats_hs": {"runs": 3, "values": [0.6336, 0.5444, 0.6871], "mean": 0.6217, "spread": 0.1427}, "at": 1787031134}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029850, "scored_at": 1787031134, "alerts": [], "rank": 5191}, {"candidate_id": "ODC-27B21E", "res_at": 1789338954, "skeleton": "QBPGBZWCUZYULW", "hf_user": "trblnfxn", "display_name": "NOVEL-BenzodioxaneCarbox", "model_name": "Hermes-Novel-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········OCCO2", "total": 17.873, "axes": {"activity": 1.36, "binding": 7.21, "selectivity": 2.65, "admet": 2.63, "novelty": 2.22, "synthesis": 1.8}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.045}, "binding": {"pIC50": 6.08, "LE": 0.347, "potency_term": 0.36, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.4, "selectivity_term": 0.368, "target_engagement": 0.36}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.979, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.962, "ld50-zhu": 0.445, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.03}}, "run": {"gpu": "0", "pAct_q10": 4.681771958748542, "aff_pf": -0.08126898234089215, "aff_hs": 0.654039740562439, "repeats_pf": {"runs": 3, "values": [-0.0923, -0.1236, -0.0279], "mean": -0.0813, "spread": 0.0958}, "repeats_hs": {"runs": 3, "values": [0.6797, 0.5982, 0.6843], "mean": 0.654, "spread": 0.0861}, "at": 1789338954}, "tier": 1, "alerts": [], "total_sd": 0.41, "total_ci95": [17.174, 18.678], "relegate_reason": [], "submitted_at": 1789328238, "scored_at": 1789338954, "rank": 5192}, {"candidate_id": "ODC-8C9982", "res_at": 1787045132, "skeleton": "QBZHSZQGLONUMF", "hf_user": "epicsaga", "display_name": "PFD3-08", "model_name": "GLM-5.3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)cc1", "total": 17.865, "axes": {"activity": 10.05, "binding": 1.16, "selectivity": 0.0, "admet": 3.33, "novelty": 1.65, "synthesis": 1.67}, "detail": {"activity": {"pAct_q10": 5.203, "fraction": 0.335}, "binding": {"pIC50": 4.85, "LE": 0.255, "potency_term": 0.068, "efficiency_cap": 0.851}, "selectivity": {"fold": 3.5, "selectivity_term": 0.272, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.663, "per_endpoint": {"solubility-aqsoldb": 0.501, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.841, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.875, "ld50-zhu": 0.663, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.507, "novelty": 0.493}, "synthesis": {"sa_score": 2.11}}, "run": {"gpu": "2", "pAct_q10": 5.20290567261629, "aff_pf": 1.1536227464675903, "aff_hs": 1.6978059609731038, "repeats_pf": {"runs": 3, "values": [1.0245, 1.1883, 1.2481], "mean": 1.1536, "spread": 0.2237}, "repeats_hs": {"runs": 3, "values": [1.7226, 1.6801, 1.6908], "mean": 1.6978, "spread": 0.0425}, "at": 1787045132}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039352, "scored_at": 1787045132, "alerts": [], "rank": 5193}, {"candidate_id": "ODC-4BC0F9", "res_at": 1789349731, "skeleton": "WGIPPBVCDPNFQP", "hf_user": "Bio-JS", "display_name": "0914-S1-div05", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nc··········)n2n1", "total": 17.823, "axes": {"activity": 7.91, "binding": 4.71, "selectivity": 0.4, "admet": 2.12, "novelty": 1.5, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.075, "fraction": 0.264}, "binding": {"pIC50": 5.71, "LE": 0.34, "potency_term": 0.235, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.085, "target_engagement": 0.235}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.398, "herg": 0.794, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "0", "pAct_q10": 5.0745327155823405, "aff_pf": 0.2936176359653473, "aff_hs": 0.4627048671245575, "repeats_pf": {"runs": 3, "values": [0.2765, 0.2316, 0.3727], "mean": 0.2936, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [0.4666, 0.4665, 0.455], "mean": 0.4627, "spread": 0.0116}, "at": 1789349731}, "tier": 1, "alerts": [], "total_sd": 0.324, "total_ci95": [17.094, 18.42], "relegate_reason": [], "submitted_at": 1789346083, "scored_at": 1789349731, "rank": 5194}, {"candidate_id": "ODC-1243EE", "res_at": 1789541393, "skeleton": "DCCJXSKEADHNGA", "hf_user": "Bio-JS", "display_name": "0916-S1-div03", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 17.794, "axes": {"activity": 10.17, "binding": 1.35, "selectivity": 0.0, "admet": 2.84, "novelty": 2.0, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.21, "fraction": 0.339}, "binding": {"pIC50": 4.84, "LE": 0.301, "potency_term": 0.067, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.229, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.583, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.661, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.511, "herg": 0.523, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.210363933008237, "aff_pf": 1.1585970719655354, "aff_hs": 1.61640731493632, "repeats_pf": {"runs": 3, "values": [1.1665, 1.1547, 1.1546], "mean": 1.1586, "spread": 0.012}, "repeats_hs": {"runs": 3, "values": [1.6499, 1.7544, 1.4449], "mean": 1.6164, "spread": 0.3095}, "at": 1789541393}, "tier": 1, "alerts": [], "total_sd": 0.011, "total_ci95": [17.768, 17.807], "relegate_reason": [], "submitted_at": 1789526727, "scored_at": 1789541393, "rank": 5195}, {"candidate_id": "ODC-132F95", "res_at": 1787236147, "skeleton": "WDONSKUXGRSBME", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C2)n1", "total": 17.79, "axes": {"activity": 6.63, "binding": 5.87, "selectivity": 0.0, "admet": 2.04, "novelty": 2.01, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 4.998, "fraction": 0.221}, "binding": {"pIC50": 6.1, "LE": 0.239, "potency_term": 0.368, "efficiency_cap": 0.797}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.368}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.476, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.079, "dili": 0.988}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 4.9975609273057815, "aff_pf": -0.10476397971312205, "aff_hs": -0.7641285459200541, "repeats_pf": {"runs": 3, "values": [0.0552, -0.1856, -0.1839], "mean": -0.1048, "spread": 0.2407}, "repeats_hs": {"runs": 3, "values": [-0.7984, -0.7155, -0.7785], "mean": -0.7641, "spread": 0.0828}, "at": 1787236147}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232207, "scored_at": 1787236147, "alerts": [], "rank": 5196}, {"candidate_id": "ODC-C0F584", "res_at": 1787948140, "skeleton": "HCVQSDAPSYBFIX", "hf_user": "Bio-JS", "display_name": "C6 피롤로[3,2-d]피리미딘 x 옥세탄", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········[nH]1", "total": 17.78, "axes": {"activity": 10.28, "binding": 1.09, "selectivity": 0.0, "admet": 2.59, "novelty": 2.35, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.217, "fraction": 0.343}, "binding": {"pIC50": 4.78, "LE": 0.285, "potency_term": 0.057, "efficiency_cap": 0.949}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.549, "herg": 0.05, "dili": 0.471}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.216879046991698, "aff_pf": 1.2213904857635498, "aff_hs": 0.7341697216033936, "repeats_pf": {"runs": 3, "values": [1.2034, 1.2765, 1.1843], "mean": 1.2214, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [0.7234, 0.7761, 0.703], "mean": 0.7342, "spread": 0.073}, "at": 1787948140}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945073, "scored_at": 1787948140, "alerts": [], "rank": 5197}, {"candidate_id": "ODC-072F37", "res_at": 1789941798, "skeleton": "LJWWIJAENHSRRS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCc1n··········sc2n1", "total": 17.767, "axes": {"activity": 10.53, "binding": 0.94, "selectivity": 0.0, "admet": 2.18, "novelty": 2.36, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.232, "fraction": 0.351}, "binding": {"pIC50": 4.74, "LE": 0.271, "potency_term": 0.052, "efficiency_cap": 0.902}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.701, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.792, "herg": 0.169, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "0", "pAct_q10": 5.2320755769827905, "aff_pf": 1.2600040038426716, "aff_hs": 1.4021534125010173, "repeats_pf": {"runs": 3, "values": [1.3065, 1.2787, 1.1947], "mean": 1.26, "spread": 0.1118}, "repeats_hs": {"runs": 3, "values": [1.4316, 1.4282, 1.3466], "mean": 1.4022, "spread": 0.0849}, "at": 1789941798}, "tier": 1, "alerts": [], "total_sd": 0.072, "total_ci95": [17.655, 17.949], "relegate_reason": [], "submitted_at": 1789778841, "scored_at": 1789941798, "rank": 5198}, {"candidate_id": "ODC-8632B9", "res_at": 1789999513, "skeleton": "AFCRLZDPOVIPCI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCSc1n··········)n2n1", "total": 17.764, "axes": {"activity": 11.08, "binding": 0.74, "selectivity": 0.0, "admet": 1.76, "novelty": 2.6, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.369}, "binding": {"pIC50": 4.77, "LE": 0.198, "potency_term": 0.056, "efficiency_cap": 0.66}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.498, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.264847109087234, "aff_pf": 1.2307756344477336, "aff_hs": 0.9398785630861918, "repeats_pf": {"runs": 3, "values": [1.3592, 1.275, 1.0581], "mean": 1.2308, "spread": 0.301}, "repeats_hs": {"runs": 3, "values": [0.907, 0.9496, 0.963], "mean": 0.9399, "spread": 0.0559}, "at": 1789999513}, "tier": 1, "alerts": [], "total_sd": 0.146, "total_ci95": [17.546, 18.205], "relegate_reason": [], "submitted_at": 1789993213, "scored_at": 1789999513, "rank": 5199}, {"candidate_id": "ODC-D0DB10", "res_at": 1786867615, "skeleton": "HZVFYHMPEPUZJP", "hf_user": "DOATC", "display_name": "SOL_AGG70_ET_COREHOP", "model_name": "오픈AI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc2n1", "total": 17.747, "axes": {"activity": 5.11, "binding": 6.13, "selectivity": 0.84, "admet": 2.38, "novelty": 1.89, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 4.907, "fraction": 0.17}, "binding": {"pIC50": 5.92, "LE": 0.386, "potency_term": 0.306, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.306}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.781, "cyp2c9-veith": 0.24, "cyp3a4-substrate-carbonmangels": 0.576, "ld50-zhu": 0.264, "herg": 0.822, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 4.906892018052184, "aff_pf": 0.08067784706751506, "aff_hs": 0.3553166389465332, "repeats_pf": {"runs": 3, "values": [0.0646, 0.1331, 0.0443], "mean": 0.0807, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [0.4076, 0.3865, 0.2718], "mean": 0.3553, "spread": 0.1358}, "at": 1786867615}, "tier": 1, "relegate_reason": [], "submitted_at": 1786862137, "scored_at": 1786867615, "alerts": [], "rank": 5200}, {"candidate_id": "ODC-006C8C", "res_at": 1786858793, "skeleton": "VAHCKCCGGDDXPD", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········cnc21", "total": 17.664, "axes": {"activity": 2.84, "binding": 6.67, "selectivity": 1.75, "admet": 2.75, "novelty": 2.1, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 4.77, "fraction": 0.095}, "binding": {"pIC50": 6.0, "LE": 0.357, "potency_term": 0.333, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.333}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.563, "cyp3a4-substrate-carbonmangels": 0.242, "ld50-zhu": 0.372, "herg": 0.713, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 4.770441483146304, "aff_pf": 0.00010361274083455403, "aff_hs": 0.5261864264806112, "repeats_pf": {"runs": 3, "values": [0.0662, -0.1105, 0.0446], "mean": 0.0001, "spread": 0.1767}, "repeats_hs": {"runs": 3, "values": [0.5336, 0.418, 0.627], "mean": 0.5262, "spread": 0.2091}, "at": 1786858793}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848328, "scored_at": 1786858793, "alerts": [], "rank": 5201}, {"candidate_id": "ODC-1A2CBB", "res_at": 1787058159, "skeleton": "OTDWALVMDSBBCS", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········)cc1F", "total": 17.663, "axes": {"activity": 7.28, "binding": 5.82, "selectivity": 0.0, "admet": 1.14, "novelty": 2.16, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.037, "fraction": 0.243}, "binding": {"pIC50": 5.96, "LE": 0.272, "potency_term": 0.32, "efficiency_cap": 0.907}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.32}, "admet": {"geometric_mean": 0.261, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.784, "herg": 0.05, "dili": 0.206}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.036562680524736, "aff_pf": 0.038755123813947044, "aff_hs": -0.4082818925380707, "repeats_pf": {"runs": 3, "values": [0.0933, -0.0424, 0.0653], "mean": 0.0388, "spread": 0.1357}, "repeats_hs": {"runs": 3, "values": [-0.4737, -0.2838, -0.4673], "mean": -0.4083, "spread": 0.1899}, "at": 1787058159}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057471, "scored_at": 1787058159, "alerts": [], "rank": 5202}, {"candidate_id": "ODC-13B30C", "res_at": 1787930667, "skeleton": "IGNAZWJPBGFSCT", "hf_user": "Jojun8403", "display_name": "Warecube_jo", "model_name": "Meta ai", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········3)c21", "total": 17.654, "axes": {"activity": 10.77, "binding": 1.81, "selectivity": 0.0, "admet": 1.62, "novelty": 2.62, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 5.246, "fraction": 0.359}, "binding": {"pIC50": 5.4, "LE": 0.205, "potency_term": 0.132, "efficiency_cap": 0.685}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.504, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.94, "herg": 0.334, "dili": 0.18}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 4.39}}, "run": {"gpu": "0", "pAct_q10": 5.246324948503716, "aff_pf": 0.6027886668841044, "aff_hs": 0.1896945039431254, "repeats_pf": {"runs": 3, "values": [0.5052, 0.6943, 0.6088], "mean": 0.6028, "spread": 0.1891}, "repeats_hs": {"runs": 3, "values": [0.189, 0.1868, 0.1933], "mean": 0.1897, "spread": 0.0065}, "at": 1787930667}, "tier": 1, "relegate_reason": [], "submitted_at": 1787900629, "scored_at": 1787930667, "alerts": [], "rank": 5203}, {"candidate_id": "ODC-0A4E0C", "res_at": 1786848361, "skeleton": "LXGZBLBIVJHDQL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)s1", "total": 17.629, "axes": {"activity": 5.38, "binding": 6.64, "selectivity": 0.0, "admet": 2.6, "novelty": 1.56, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 4.923, "fraction": 0.179}, "binding": {"pIC50": 6.0, "LE": 0.357, "potency_term": 0.332, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.332}, "admet": {"geometric_mean": 0.522, "per_endpoint": {"solubility-aqsoldb": 0.51, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.654, "ld50-zhu": 0.199, "herg": 0.445, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.529, "novelty": 0.471}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 4.922807411351867, "aff_pf": 0.00408288836479187, "aff_hs": -0.13098863512277603, "repeats_pf": {"runs": 3, "values": [-0.0636, 0.0356, 0.0402], "mean": 0.0041, "spread": 0.1038}, "repeats_hs": {"runs": 3, "values": [-0.1219, -0.1007, -0.1704], "mean": -0.131, "spread": 0.0697}, "at": 1786848361}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845810, "scored_at": 1786848361, "alerts": [], "rank": 5204}, {"candidate_id": "ODC-4AC8B5", "res_at": 1789905408, "skeleton": "ZFAJTMIRSDHUAE", "hf_user": "Bio-JS", "display_name": "0918-S1-div16", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C(F)F", "total": 17.625, "axes": {"activity": 7.83, "binding": 3.74, "selectivity": 0.97, "admet": 2.25, "novelty": 1.72, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.07, "fraction": 0.261}, "binding": {"pIC50": 5.56, "LE": 0.317, "potency_term": 0.187, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.187}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.933, "cyp3a4-substrate-carbonmangels": 0.834, "ld50-zhu": 0.369, "herg": 0.648, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.070072181442037, "aff_pf": 0.4385456442832947, "aff_hs": 0.9543289542198181, "repeats_pf": {"runs": 3, "values": [0.4303, 0.441, 0.4444], "mean": 0.4385, "spread": 0.0141}, "repeats_hs": {"runs": 3, "values": [0.9786, 0.9431, 0.9413], "mean": 0.9543, "spread": 0.0372}, "at": 1789905408}, "tier": 1, "alerts": [], "total_sd": 0.04, "total_ci95": [17.564, 17.71], "relegate_reason": [], "submitted_at": 1789687050, "scored_at": 1789905408, "rank": 5205}, {"candidate_id": "ODC-7CCE3C", "res_at": 1786979680, "skeleton": "UVRQDSVVZLIPFB", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCCN··········cccc1", "total": 17.619, "axes": {"activity": 10.17, "binding": 0.13, "selectivity": 0.0, "admet": 3.54, "novelty": 2.22, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.21, "fraction": 0.339}, "binding": {"pIC50": 4.02, "LE": 0.229, "potency_term": 0.009, "efficiency_cap": 0.765}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.696, "per_endpoint": {"solubility-aqsoldb": 0.862, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 0.965, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.474, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.2100302527318965, "aff_pf": 1.9798763990402222, "aff_hs": 1.645093043645223, "repeats_pf": {"runs": 3, "values": [1.9611, 2.0064, 1.9721], "mean": 1.9799, "spread": 0.0452}, "repeats_hs": {"runs": 3, "values": [1.6274, 1.5778, 1.73], "mean": 1.6451, "spread": 0.1523}, "at": 1786979680}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977250, "scored_at": 1786979680, "alerts": [], "rank": 5206}, {"candidate_id": "ODC-72AFA4", "res_at": 1787166882, "skeleton": "MRZQJOWZNXFQFI", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)CC1", "total": 17.603, "axes": {"activity": 10.25, "binding": 1.64, "selectivity": 0.12, "admet": 1.7, "novelty": 2.17, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.215, "fraction": 0.342}, "binding": {"pIC50": 5.36, "LE": 0.204, "potency_term": 0.121, "efficiency_cap": 0.68}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.121}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.798, "ld50-zhu": 0.443, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 5.21518778193319, "aff_pf": 0.638193408648173, "aff_hs": 0.7400031487147013, "repeats_pf": {"runs": 3, "values": [0.6156, 0.8536, 0.4454], "mean": 0.6382, "spread": 0.4081}, "repeats_hs": {"runs": 3, "values": [0.7848, 0.8715, 0.5637], "mean": 0.74, "spread": 0.3078}, "at": 1787166882}, "tier": 1, "relegate_reason": [], "submitted_at": 1787159565, "scored_at": 1787166882, "alerts": [], "rank": 5207}, {"candidate_id": "ODC-5596D5", "res_at": 1786975697, "skeleton": "XGUMXFQRUCZYGM", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········F)cc1", "total": 17.585, "axes": {"activity": 10.01, "binding": 0.24, "selectivity": 0.0, "admet": 3.49, "novelty": 2.28, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.201, "fraction": 0.334}, "binding": {"pIC50": 4.23, "LE": 0.252, "potency_term": 0.014, "efficiency_cap": 0.839}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.696, "per_endpoint": {"solubility-aqsoldb": 0.692, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.52, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 5.200885962360072, "aff_pf": 1.7730312744776409, "aff_hs": 1.7135309378306072, "repeats_pf": {"runs": 3, "values": [1.795, 1.7737, 1.7504], "mean": 1.773, "spread": 0.0446}, "repeats_hs": {"runs": 3, "values": [1.8663, 1.654, 1.6203], "mean": 1.7135, "spread": 0.246}, "at": 1786975697}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975337, "scored_at": 1786975697, "alerts": [], "rank": 5208}, {"candidate_id": "ODC-210E53", "res_at": 1787371558, "skeleton": "RTDAASVNXCYQES", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········(F)C1", "total": 17.581, "axes": {"activity": 7.89, "binding": 4.72, "selectivity": 0.0, "admet": 2.35, "novelty": 1.99, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 5.073, "fraction": 0.263}, "binding": {"pIC50": 5.75, "LE": 0.282, "potency_term": 0.251, "efficiency_cap": 0.938}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.597, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.963, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.121, "ld50-zhu": 0.92, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 4.3}}, "run": {"gpu": "3", "pAct_q10": 5.073156836905184, "aff_pf": 0.24608571827411652, "aff_hs": -0.11352411409219106, "repeats_pf": {"runs": 3, "values": [0.3517, 0.2769, 0.1097], "mean": 0.2461, "spread": 0.242}, "repeats_hs": {"runs": 3, "values": [-0.1334, -0.0449, -0.1622], "mean": -0.1135, "spread": 0.1173}, "at": 1787371558}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365038, "scored_at": 1787371558, "alerts": [], "rank": 5209}, {"candidate_id": "ODC-AC6E8F", "res_at": 1787210396, "skeleton": "QAHCHHDOGXEHLI", "hf_user": "hansu99", "display_name": "R0K", "model_name": "Neberon", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········cc2n1", "total": 17.577, "axes": {"activity": 7.62, "binding": 5.31, "selectivity": 0.0, "admet": 1.66, "novelty": 1.73, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.057, "fraction": 0.254}, "binding": {"pIC50": 5.8, "LE": 0.331, "potency_term": 0.265, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.464, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.424, "herg": 0.05, "dili": 0.114}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.0573810283085745, "aff_pf": 0.2036509563525518, "aff_hs": -0.11951151490211487, "repeats_pf": {"runs": 3, "values": [0.0921, 0.1541, 0.3647], "mean": 0.2037, "spread": 0.2726}, "repeats_hs": {"runs": 3, "values": [-0.1933, -0.1116, -0.0536], "mean": -0.1195, "spread": 0.1397}, "at": 1787210396}, "tier": 1, "relegate_reason": [], "submitted_at": 1787208711, "scored_at": 1787210396, "alerts": [], "rank": 5210}, {"candidate_id": "ODC-2E402B", "res_at": 1786937936, "skeleton": "PQZBOHRAUKGCDL", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(CN1··········)cc21", "total": 17.572, "axes": {"activity": 2.75, "binding": 6.49, "selectivity": 2.14, "admet": 2.49, "novelty": 2.07, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 4.765, "fraction": 0.092}, "binding": {"pIC50": 5.97, "LE": 0.341, "potency_term": 0.324, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.331, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.509, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.732, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 0.526, "herg": 0.05, "dili": 0.3}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "2", "pAct_q10": 4.765051147489831, "aff_pf": 0.02667065958182017, "aff_hs": 0.6877866188685099, "repeats_pf": {"runs": 3, "values": [0.1367, -0.1046, 0.048], "mean": 0.0267, "spread": 0.2413}, "repeats_hs": {"runs": 3, "values": [0.7952, 0.7394, 0.5288], "mean": 0.6878, "spread": 0.2665}, "at": 1786937936}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926503, "scored_at": 1786937936, "alerts": [], "rank": 5211}, {"candidate_id": "ODC-285AD6", "res_at": 1786875057, "skeleton": "NMHZMBGXLIEVEX", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cn1", "total": 17.56, "axes": {"activity": 9.88, "binding": 1.24, "selectivity": 0.0, "admet": 2.86, "novelty": 2.34, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.193, "fraction": 0.329}, "binding": {"pIC50": 4.86, "LE": 0.266, "potency_term": 0.07, "efficiency_cap": 0.887}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.607, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.642, "herg": 0.315, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "2", "pAct_q10": 5.192597562569402, "aff_pf": 1.1424410740534465, "aff_hs": 0.8211602965990702, "repeats_pf": {"runs": 3, "values": [1.192, 1.2015, 1.0338], "mean": 1.1424, "spread": 0.1677}, "repeats_hs": {"runs": 3, "values": [0.8643, 0.7025, 0.8967], "mean": 0.8212, "spread": 0.1942}, "at": 1786875057}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866981, "scored_at": 1786875057, "alerts": [], "rank": 5212}, {"candidate_id": "ODC-23502D", "res_at": 1787194211, "skeleton": "JXAPAKJFFWMOMP", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 17.539, "axes": {"activity": 9.05, "binding": 2.58, "selectivity": 0.0, "admet": 2.6, "novelty": 2.19, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 5.39, "LE": 0.296, "potency_term": 0.131, "efficiency_cap": 0.985}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.131}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.568, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.629, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.142964857972095, "aff_pf": 0.6066194971402487, "aff_hs": 0.5902774930000305, "repeats_pf": {"runs": 3, "values": [0.6262, 0.6674, 0.5263], "mean": 0.6066, "spread": 0.1411}, "repeats_hs": {"runs": 3, "values": [0.5437, 0.4593, 0.7679], "mean": 0.5903, "spread": 0.3086}, "at": 1787194211}, "tier": 1, "relegate_reason": [], "submitted_at": 1787191999, "scored_at": 1787194211, "alerts": [], "rank": 5213}, {"candidate_id": "ODC-677934", "res_at": 1787218019, "skeleton": "MNQNZAOTAIJIBS", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc1Cl", "total": 17.531, "axes": {"activity": 10.82, "binding": 0.92, "selectivity": 0.0, "admet": 1.41, "novelty": 2.73, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.249, "fraction": 0.361}, "binding": {"pIC50": 4.84, "LE": 0.207, "potency_term": 0.067, "efficiency_cap": 0.691}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.506, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.43}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.2490965229698805, "aff_pf": 1.1607200702031453, "aff_hs": 0.7403694192568461, "repeats_pf": {"runs": 3, "values": [1.166, 1.1051, 1.211], "mean": 1.1607, "spread": 0.1059}, "repeats_hs": {"runs": 3, "values": [0.6408, 0.8176, 0.7628], "mean": 0.7404, "spread": 0.1768}, "at": 1787218019}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217067, "scored_at": 1787218019, "alerts": [], "rank": 5214}, {"candidate_id": "ODC-92D09D", "res_at": 1786888664, "skeleton": "ILGLMTOIPVMFPZ", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(F)··········)nn12", "total": 17.531, "axes": {"activity": 9.81, "binding": 2.38, "selectivity": 0.31, "admet": 1.68, "novelty": 2.24, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.327}, "binding": {"pIC50": 5.41, "LE": 0.264, "potency_term": 0.135, "efficiency_cap": 0.882}, "selectivity": {"fold": 1.7, "selectivity_term": 0.115, "target_engagement": 0.135}, "admet": {"geometric_mean": 0.343, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.361, "ld50-zhu": 0.681, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "2", "pAct_q10": 5.18847056367326, "aff_pf": 0.5942371288935343, "aff_hs": 0.8250488042831421, "repeats_pf": {"runs": 3, "values": [0.511, 0.6901, 0.5816], "mean": 0.5942, "spread": 0.1792}, "repeats_hs": {"runs": 3, "values": [0.7731, 0.8484, 0.8537], "mean": 0.825, "spread": 0.0805}, "at": 1786888664}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879951, "scored_at": 1786888664, "alerts": [], "rank": 5215}, {"candidate_id": "ODC-AD25F0", "res_at": 1787248930, "skeleton": "FRLVNRPZTXZANG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)CC1", "total": 17.528, "axes": {"activity": 7.77, "binding": 4.54, "selectivity": 0.54, "admet": 1.65, "novelty": 1.76, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.066, "fraction": 0.259}, "binding": {"pIC50": 5.68, "LE": 0.324, "potency_term": 0.227, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.227}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.341, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.517, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.06601865727003, "aff_pf": 0.31910661856333417, "aff_hs": 0.5572610100110372, "repeats_pf": {"runs": 3, "values": [0.3679, 0.2376, 0.3518], "mean": 0.3191, "spread": 0.1303}, "repeats_hs": {"runs": 3, "values": [0.6102, 0.5042, 0.5574], "mean": 0.5573, "spread": 0.106}, "at": 1787248930}, "tier": 1, "relegate_reason": [], "submitted_at": 1787241864, "scored_at": 1787248930, "alerts": [], "rank": 5216}, {"candidate_id": "ODC-B9785B", "res_at": 1787253564, "skeleton": "LEASRPMSIDUCOX", "hf_user": "kiwoong7548", "display_name": "hey", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)CC··········2)cc1", "total": 17.519, "axes": {"activity": 10.94, "binding": 0.69, "selectivity": 0.0, "admet": 1.81, "novelty": 2.26, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 5.256, "fraction": 0.365}, "binding": {"pIC50": 4.71, "LE": 0.215, "potency_term": 0.048, "efficiency_cap": 0.717}, "selectivity": {"fold": 3.4, "selectivity_term": 0.265, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 0.451, "pgp-broccatelli": 0.068, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.57, "ld50-zhu": 0.333, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 5.256377996655789, "aff_pf": 1.2905590136845906, "aff_hs": 1.8206818501154582, "repeats_pf": {"runs": 3, "values": [1.2324, 1.1819, 1.4574], "mean": 1.2906, "spread": 0.2755}, "repeats_hs": {"runs": 3, "values": [1.4874, 1.9766, 1.998], "mean": 1.8207, "spread": 0.5106}, "at": 1787253564}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246756, "scored_at": 1787253564, "alerts": [], "rank": 5217}, {"candidate_id": "ODC-AAA1F1", "res_at": 1787916498, "skeleton": "YOFWSOXSZPNCBW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 17.513, "axes": {"activity": 10.37, "binding": 1.08, "selectivity": 0.0, "admet": 2.22, "novelty": 2.33, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.346}, "binding": {"pIC50": 4.92, "LE": 0.198, "potency_term": 0.082, "efficiency_cap": 0.661}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.561, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 0.397, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.908, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.543, "herg": 0.05, "dili": 0.336}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.221982579822706, "aff_pf": 1.0800202290217082, "aff_hs": 0.5783171455065409, "repeats_pf": {"runs": 3, "values": [0.8467, 1.2309, 1.1625], "mean": 1.08, "spread": 0.3842}, "repeats_hs": {"runs": 3, "values": [0.6024, 0.5494, 0.5832], "mean": 0.5783, "spread": 0.053}, "at": 1787916498}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898916, "scored_at": 1787916498, "alerts": [], "rank": 5218}, {"candidate_id": "ODC-6A2860", "res_at": 1789873359, "skeleton": "AAUBSONHOPBUPY", "hf_user": "Bio-JS", "display_name": "0917-S1-div07", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cc1", "total": 17.507, "axes": {"activity": 8.68, "binding": 3.43, "selectivity": 0.23, "admet": 2.46, "novelty": 1.37, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.121, "fraction": 0.289}, "binding": {"pIC50": 5.51, "LE": 0.315, "potency_term": 0.172, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.066, "target_engagement": 0.172}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.555, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.949, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.252, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.121047635997095, "aff_pf": 0.4852974812189738, "aff_hs": 0.6179385383923849, "repeats_pf": {"runs": 3, "values": [0.4664, 0.4971, 0.4924], "mean": 0.4853, "spread": 0.0307}, "repeats_hs": {"runs": 3, "values": [0.637, 0.5538, 0.663], "mean": 0.6179, "spread": 0.1092}, "at": 1789873359}, "tier": 1, "alerts": [], "total_sd": 0.082, "total_ci95": [17.37, 17.675], "relegate_reason": [], "submitted_at": 1789628570, "scored_at": 1789873359, "rank": 5219}, {"candidate_id": "ODC-B0D4BE", "res_at": 1787290396, "skeleton": "ZJMFWXIRYQJRSV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 17.492, "axes": {"activity": 9.59, "binding": 1.59, "selectivity": 0.0, "admet": 2.84, "novelty": 2.37, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.176, "fraction": 0.32}, "binding": {"pIC50": 5.27, "LE": 0.267, "potency_term": 0.089, "efficiency_cap": 0.891}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.686, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 5.175523459478166, "aff_pf": 0.7323638200759888, "aff_hs": 0.2173167516787847, "repeats_pf": {"runs": 3, "values": [0.6704, 0.764, 0.7627], "mean": 0.7324, "spread": 0.0935}, "repeats_hs": {"runs": 3, "values": [0.231, 0.2649, 0.156], "mean": 0.2173, "spread": 0.1089}, "at": 1787290396}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286818, "scored_at": 1787290396, "alerts": [], "rank": 5220}, {"candidate_id": "ODC-DCF358", "res_at": 1786858106, "skeleton": "XSOZXNMBEBZOJH", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········cnc21", "total": 17.487, "axes": {"activity": 5.01, "binding": 5.8, "selectivity": 1.15, "admet": 2.24, "novelty": 1.96, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 4.9, "fraction": 0.167}, "binding": {"pIC50": 5.87, "LE": 0.35, "potency_term": 0.29, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.198, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.404, "herg": 0.524, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.900423614615542, "aff_pf": 0.12942288319269815, "aff_hs": 0.5259622931480408, "repeats_pf": {"runs": 3, "values": [0.1135, 0.1041, 0.1707], "mean": 0.1294, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [0.5009, 0.5505, 0.5265], "mean": 0.526, "spread": 0.0495}, "at": 1786858106}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849027, "scored_at": 1786858106, "alerts": [], "rank": 5221}, {"candidate_id": "ODC-2ECDD3", "res_at": 1786903024, "skeleton": "QOHFCRYRZBZUJX", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "anthropic/claude-opus-5 (Claude Code + RDKit / AutoDock Vina pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········F)nc1", "total": 17.467, "axes": {"activity": 4.62, "binding": 7.37, "selectivity": 0.0, "admet": 2.14, "novelty": 1.71, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 4.877, "fraction": 0.154}, "binding": {"pIC50": 6.11, "LE": 0.299, "potency_term": 0.37, "efficiency_cap": 0.997}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.37}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.427, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.05, "dili": 0.521}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 4.877355562194792, "aff_pf": -0.11009989430507024, "aff_hs": -0.5030961533387502, "repeats_pf": {"runs": 3, "values": [-0.1389, -0.0901, -0.1013], "mean": -0.1101, "spread": 0.0487}, "repeats_hs": {"runs": 3, "values": [-0.4855, -0.5078, -0.516], "mean": -0.5031, "spread": 0.0305}, "at": 1786903024}, "tier": 1, "relegate_reason": [], "submitted_at": 1786890931, "scored_at": 1786903024, "alerts": [], "rank": 5222}, {"candidate_id": "ODC-6A79D3", "res_at": 1789228666, "skeleton": "XPCDICJBMLOKTN", "hf_user": "Bio-JS", "display_name": "0913-S1-div04", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········c1C#N", "total": 17.457, "axes": {"activity": 10.05, "binding": 1.39, "selectivity": 0.14, "admet": 2.7, "novelty": 2.09, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.203, "fraction": 0.335}, "binding": {"pIC50": 5.21, "LE": 0.297, "potency_term": 0.07, "efficiency_cap": 0.991}, "selectivity": {"fold": 1.6, "selectivity_term": 0.098, "target_engagement": 0.07}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.609, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.293, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "0", "pAct_q10": 5.20293872995173, "aff_pf": 0.7894240419069926, "aff_hs": 0.9857957363128662, "repeats_pf": {"runs": 3, "values": [0.8896, 0.736, 0.7427], "mean": 0.7894, "spread": 0.1536}, "repeats_hs": {"runs": 3, "values": [1.0032, 1.0193, 0.9349], "mean": 0.9858, "spread": 0.0844}, "at": 1789228666}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [16.687, 17.913], "relegate_reason": [], "submitted_at": 1789226287, "scored_at": 1789228666, "rank": 5223}, {"candidate_id": "ODC-B96C7F", "res_at": 1786961513, "skeleton": "RQNQNYLHZIAJNQ", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········[nH]1", "total": 17.44, "axes": {"activity": 10.6, "binding": 1.17, "selectivity": 0.0, "admet": 2.28, "novelty": 1.86, "synthesis": 1.53}, "detail": {"activity": {"pAct_q10": 5.236, "fraction": 0.353}, "binding": {"pIC50": 4.86, "LE": 0.247, "potency_term": 0.071, "efficiency_cap": 0.823}, "selectivity": {"fold": 1.3, "selectivity_term": 0.052, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.611, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.905, "herg": 0.057, "dili": 0.978}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.236024073643192, "aff_pf": 1.1370266675949097, "aff_hs": 1.2419931491216023, "repeats_pf": {"runs": 3, "values": [1.3425, 1.3271, 0.7415], "mean": 1.137, "spread": 0.601}, "repeats_hs": {"runs": 3, "values": [1.253, 1.3794, 1.0937], "mean": 1.242, "spread": 0.2857}, "at": 1786961513}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959846, "scored_at": 1786961513, "alerts": [], "rank": 5224}, {"candidate_id": "ODC-D82EF5", "res_at": 1787290207, "skeleton": "ZICGJSFGGSHRTI", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)C(··········2)CC1", "total": 17.44, "axes": {"activity": 9.72, "binding": 1.74, "selectivity": 0.0, "admet": 2.72, "novelty": 2.33, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 5.29, "LE": 0.269, "potency_term": 0.097, "efficiency_cap": 0.895}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.097}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.715, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.914, "cyp2c9-veith": 0.909, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.942, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.99}}, "run": {"gpu": "3", "pAct_q10": 5.1833102641944855, "aff_pf": 0.7078646222750345, "aff_hs": 0.4688184857368469, "repeats_pf": {"runs": 3, "values": [0.7088, 0.6507, 0.7641], "mean": 0.7079, "spread": 0.1135}, "repeats_hs": {"runs": 3, "values": [0.5038, 0.2943, 0.6084], "mean": 0.4688, "spread": 0.3141}, "at": 1787290207}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286814, "scored_at": 1787290207, "alerts": [], "rank": 5225}, {"candidate_id": "ODC-35F97B", "res_at": 1786842847, "skeleton": "YGXUGXDCKJNUQW", "hf_user": "1Dmeds", "display_name": "ODC26-SF-03", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 17.439, "axes": {"activity": 10.9, "binding": 1.14, "selectivity": 0.0, "admet": 2.22, "novelty": 1.42, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 5.254, "fraction": 0.363}, "binding": {"pIC50": 4.87, "LE": 0.238, "potency_term": 0.072, "efficiency_cap": 0.794}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.407, "per_endpoint": {"solubility-aqsoldb": 0.555, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.61, "novelty": 0.39}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "1", "pAct_q10": 5.25413142930735, "aff_pf": 1.1317414442698162, "aff_hs": 0.9688119888305664, "repeats_pf": {"runs": 3, "values": [1.0664, 1.2616, 1.0672], "mean": 1.1317, "spread": 0.1952}, "repeats_hs": {"runs": 3, "values": [1.0076, 1.017, 0.8819], "mean": 0.9688, "spread": 0.1352}, "at": 1786842847}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832753, "scored_at": 1786842847, "alerts": [], "rank": 5226}, {"candidate_id": "ODC-34038B", "res_at": 1788813637, "skeleton": "WCWXYCPPTHZGBY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 17.439, "axes": {"activity": 3.33, "binding": 7.32, "selectivity": 0.65, "admet": 2.72, "novelty": 1.6, "synthesis": 1.82}, "detail": {"activity": {"pAct_q10": 4.8, "fraction": 0.111}, "binding": {"pIC50": 6.1, "LE": 0.38, "potency_term": 0.366, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.089, "target_engagement": 0.366}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.879, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.266, "cyp2c9-veith": 0.596, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.422, "herg": 0.155, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 4.7996605096379845, "aff_pf": -0.09860380366444588, "aff_hs": 0.07978976021210353, "repeats_pf": {"runs": 3, "values": [-0.2083, -0.0411, -0.0464], "mean": -0.0986, "spread": 0.1671}, "repeats_hs": {"runs": 3, "values": [0.0712, 0.0953, 0.0728], "mean": 0.0798, "spread": 0.0241}, "at": 1788813637}, "tier": 1, "alerts": [], "total_sd": 0.771, "total_ci95": [16.502, 19.289], "relegate_reason": [], "submitted_at": 1788737960, "scored_at": 1788813637, "rank": 5227}, {"candidate_id": "ODC-353C94", "res_at": 1789581669, "skeleton": "UUTAUMORQOYDET", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········)nn12", "total": 17.435, "axes": {"activity": 7.68, "binding": 4.82, "selectivity": 0.71, "admet": 1.4, "novelty": 1.93, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 5.061, "fraction": 0.256}, "binding": {"pIC50": 5.96, "LE": 0.227, "potency_term": 0.319, "efficiency_cap": 0.756}, "selectivity": {"fold": 1.7, "selectivity_term": 0.111, "target_engagement": 0.319}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.777, "cyp2c9-veith": 0.117, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.971, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "0", "pAct_q10": 5.060878365107465, "aff_pf": 0.043981159726778664, "aff_hs": 0.2663181821505229, "repeats_pf": {"runs": 3, "values": [0.0256, 0.1114, -0.005], "mean": 0.044, "spread": 0.1163}, "repeats_hs": {"runs": 3, "values": [0.3367, 0.204, 0.2582], "mean": 0.2663, "spread": 0.1327}, "at": 1789581669}, "tier": 1, "alerts": [], "total_sd": 0.279, "total_ci95": [16.926, 17.966], "relegate_reason": [], "submitted_at": 1789571916, "scored_at": 1789581669, "rank": 5228}, {"candidate_id": "ODC-BC472B", "res_at": 1787270751, "skeleton": "QZPAAJUCTMLRNG", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCCCCc1ccc(S(=O)(=O)c2ccc3c(c2)CCC3)c(O)c1", "smiles_masked": null, "total": 17.411, "axes": {"activity": 1.62, "binding": 7.73, "selectivity": 1.15, "admet": 2.5, "novelty": 2.48, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 4.697, "fraction": 0.054}, "binding": {"pIC50": 6.16, "LE": 0.352, "potency_term": 0.387, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.387}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.521, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.369, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.663, "ld50-zhu": 0.244, "herg": 0.123, "dili": 0.214}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 4.697049698075693, "aff_pf": -0.1595215698083242, "aff_hs": 0.13893069326877594, "repeats_pf": {"runs": 3, "values": [-0.1071, -0.1882, -0.1833], "mean": -0.1595, "spread": 0.0811}, "repeats_hs": {"runs": 3, "values": [0.2953, 0.2021, -0.0806], "mean": 0.1389, "spread": 0.3758}, "at": 1787270751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269825, "scored_at": 1787270751, "alerts": [], "rank": 5229}, {"candidate_id": "ODC-24A2AD", "res_at": 1788460194, "skeleton": "WAKMATWFGUGYIJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C1[C@··········Cl)c1", "total": 17.404, "axes": {"activity": 2.67, "binding": 7.11, "selectivity": 2.07, "admet": 1.53, "novelty": 2.68, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 4.76, "fraction": 0.089}, "binding": {"pIC50": 6.33, "LE": 0.241, "potency_term": 0.443, "efficiency_cap": 0.803}, "selectivity": {"fold": 2.9, "selectivity_term": 0.233, "target_engagement": 0.443}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.483, "ld50-zhu": 0.79, "herg": 0.05, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 4.759953280469411, "aff_pf": -0.328647385040919, "aff_hs": 0.13825184106826782, "repeats_pf": {"runs": 3, "values": [-0.3105, -0.371, -0.3044], "mean": -0.3286, "spread": 0.0666}, "repeats_hs": {"runs": 3, "values": [0.136, 0.373, -0.0943], "mean": 0.1383, "spread": 0.4673}, "at": 1788460194}, "tier": 1, "alerts": [], "total_sd": 0.547, "total_ci95": [16.373, 18.497], "relegate_reason": [], "submitted_at": 1788394217, "scored_at": 1788460194, "rank": 5230}, {"candidate_id": "ODC-D2129A", "res_at": 1787057703, "skeleton": "FOEIVZNYOHIHJR", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(=O··········)cc21", "total": 17.396, "axes": {"activity": 6.34, "binding": 5.87, "selectivity": 0.0, "admet": 1.89, "novelty": 1.97, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 4.981, "fraction": 0.211}, "binding": {"pIC50": 6.05, "LE": 0.251, "potency_term": 0.351, "efficiency_cap": 0.837}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.351}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.175, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.529, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.7, "herg": 0.05, "dili": 0.656}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 4.9805276690781675, "aff_pf": -0.05180017650127411, "aff_hs": -0.05098048349221548, "repeats_pf": {"runs": 3, "values": [0.0024, -0.0118, -0.146], "mean": -0.0518, "spread": 0.1484}, "repeats_hs": {"runs": 3, "values": [-0.0417, -0.141, 0.0297], "mean": -0.051, "spread": 0.1706}, "at": 1787057703}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057434, "scored_at": 1787057703, "alerts": [], "rank": 5231}, {"candidate_id": "ODC-7F1646", "res_at": 1789361739, "skeleton": "XTNLMZNAKGCDKL", "hf_user": "Bio-JS", "display_name": "0914-S1-div21", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········ccc1C", "total": 17.382, "axes": {"activity": 8.44, "binding": 3.09, "selectivity": 0.74, "admet": 2.33, "novelty": 1.77, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 5.46, "LE": 0.312, "potency_term": 0.155, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.155}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.542, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.994, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.306, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "0", "pAct_q10": 5.106210063563594, "aff_pf": 0.5360573728879293, "aff_hs": 1.0171501239140828, "repeats_pf": {"runs": 3, "values": [0.5605, 0.5372, 0.5104], "mean": 0.5361, "spread": 0.0501}, "repeats_hs": {"runs": 3, "values": [0.9078, 1.2039, 0.9397], "mean": 1.0172, "spread": 0.2962}, "at": 1789361739}, "tier": 1, "alerts": [], "total_sd": 0.151, "total_ci95": [17.088, 17.689], "relegate_reason": [], "submitted_at": 1789346159, "scored_at": 1789361739, "rank": 5232}, {"candidate_id": "ODC-E0246A", "res_at": 1786951702, "skeleton": "HGAUZDAGYLHCNC", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccnc··········O)c12", "total": 17.377, "axes": {"activity": 5.23, "binding": 6.48, "selectivity": 0.0, "admet": 1.83, "novelty": 2.42, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 4.914, "fraction": 0.174}, "binding": {"pIC50": 5.97, "LE": 0.303, "potency_term": 0.324, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.947, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.56, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.254, "novelty": 0.746}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 4.9140717142895785, "aff_pf": 0.0282747745513916, "aff_hs": -0.4509936571121216, "repeats_pf": {"runs": 3, "values": [-0.0713, 0.0134, 0.1427], "mean": 0.0283, "spread": 0.2139}, "repeats_hs": {"runs": 3, "values": [-0.4689, -0.4172, -0.4669], "mean": -0.451, "spread": 0.0517}, "at": 1786951702}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942823, "scored_at": 1786951702, "alerts": [], "rank": 5233}, {"candidate_id": "ODC-750495", "res_at": 1788462628, "skeleton": "SJFWUGBXHICVEV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "[O-][n+··········2)cc1", "total": 17.352, "axes": {"activity": 9.11, "binding": 2.47, "selectivity": 1.08, "admet": 1.27, "novelty": 2.25, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.147, "fraction": 0.304}, "binding": {"pIC50": 5.53, "LE": 0.21, "potency_term": 0.176, "efficiency_cap": 0.701}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.101, "caco2-wang": 0.49, "hia-hou": 0.131, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.423, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.976}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 5.146606303860095, "aff_pf": 0.4716842770576477, "aff_hs": 1.085675875345866, "repeats_pf": {"runs": 3, "values": [0.2662, 0.7192, 0.4297], "mean": 0.4717, "spread": 0.453}, "repeats_hs": {"runs": 3, "values": [1.0349, 1.2095, 1.0127], "mean": 1.0857, "spread": 0.1968}, "at": 1788462628}, "tier": 1, "alerts": [], "total_sd": 0.93, "total_ci95": [15.398, 19.221], "relegate_reason": [], "submitted_at": 1788394258, "scored_at": 1788462628, "rank": 5234}, {"candidate_id": "ODC-B513B6", "res_at": 1786894587, "skeleton": "CDAVZLHMEZASDV", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 17.349, "axes": {"activity": 6.33, "binding": 5.91, "selectivity": 0.06, "admet": 2.46, "novelty": 1.71, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.98, "fraction": 0.211}, "binding": {"pIC50": 5.89, "LE": 0.336, "potency_term": 0.295, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.295}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.722, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.625, "herg": 0.691, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 3.92}}, "run": {"gpu": "3", "pAct_q10": 4.980061282001658, "aff_pf": 0.11353363345066707, "aff_hs": 0.13417394955952963, "repeats_pf": {"runs": 3, "values": [0.0399, 0.173, 0.1277], "mean": 0.1135, "spread": 0.133}, "repeats_hs": {"runs": 3, "values": [0.163, 0.1243, 0.1152], "mean": 0.1342, "spread": 0.0478}, "at": 1786894587}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879612, "scored_at": 1786894587, "alerts": [], "rank": 5235}, {"candidate_id": "ODC-478933", "res_at": 1786939217, "skeleton": "CMYVFUGTQCOYIL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········N)CC1", "total": 17.327, "axes": {"activity": 10.22, "binding": 0.59, "selectivity": 0.0, "admet": 2.52, "novelty": 2.29, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.213, "fraction": 0.341}, "binding": {"pIC50": 4.66, "LE": 0.206, "potency_term": 0.043, "efficiency_cap": 0.687}, "selectivity": {"fold": 1.7, "selectivity_term": 0.112, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.721, "caco2-wang": 0.502, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.607, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.353, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "2", "pAct_q10": 5.213412178156678, "aff_pf": 1.3359890381495159, "aff_hs": 1.5596086184183757, "repeats_pf": {"runs": 3, "values": [1.6181, 1.3313, 1.0586], "mean": 1.336, "spread": 0.5595}, "repeats_hs": {"runs": 3, "values": [1.4809, 1.5604, 1.6376], "mean": 1.5596, "spread": 0.1567}, "at": 1786939217}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926685, "scored_at": 1786939217, "alerts": [], "rank": 5236}, {"candidate_id": "ODC-A78761", "res_at": 1788501572, "skeleton": "FPQGPBREXRBFFO", "hf_user": "dlghkdueo", "display_name": "R6-B3", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 17.322, "axes": {"activity": 7.3, "binding": 4.4, "selectivity": 1.11, "admet": 1.71, "novelty": 1.58, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.038, "fraction": 0.243}, "binding": {"pIC50": 5.66, "LE": 0.323, "potency_term": 0.22, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.253, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.196, "caco2-wang": 0.974, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.428, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "0", "pAct_q10": 5.037823107008468, "aff_pf": 0.339510718981425, "aff_hs": 0.8448225061098734, "repeats_pf": {"runs": 3, "values": [0.4116, 0.4792, 0.1277], "mean": 0.3395, "spread": 0.3516}, "repeats_hs": {"runs": 3, "values": [0.8792, 0.746, 0.9092], "mean": 0.8448, "spread": 0.1632}, "at": 1788501572}, "tier": 1, "alerts": [], "total_sd": 1.04, "total_ci95": [15.93, 19.042], "relegate_reason": [], "submitted_at": 1788447556, "scored_at": 1788501572, "rank": 5237}, {"candidate_id": "ODC-ED1177", "res_at": 1789890805, "skeleton": "YLALVFGOGZQHNK", "hf_user": "Bio-JS", "display_name": "0918-S1-div13", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 17.319, "axes": {"activity": 4.8, "binding": 5.38, "selectivity": 2.15, "admet": 2.27, "novelty": 1.56, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 4.888, "fraction": 0.16}, "binding": {"pIC50": 5.81, "LE": 0.362, "potency_term": 0.269, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.4, "target_engagement": 0.269}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.884, "ld50-zhu": 0.298, "herg": 0.748, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 4.888159095769333, "aff_pf": 0.19327379266421, "aff_hs": 0.9932476480801901, "repeats_pf": {"runs": 3, "values": [0.2775, 0.1359, 0.1665], "mean": 0.1933, "spread": 0.1416}, "repeats_hs": {"runs": 3, "values": [0.9424, 0.8959, 1.1415], "mean": 0.9932, "spread": 0.2456}, "at": 1789890805}, "tier": 1, "alerts": [], "total_sd": 0.648, "total_ci95": [15.809, 18.418], "relegate_reason": [], "submitted_at": 1789687041, "scored_at": 1789890805, "rank": 5238}, {"candidate_id": "ODC-CF78EF", "res_at": 1786881566, "skeleton": "GHBVZDDHYASTLK", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C1Nc2··········12CC2", "total": 17.3, "axes": {"activity": 5.98, "binding": 4.91, "selectivity": 1.47, "admet": 2.17, "novelty": 1.91, "synthesis": 0.85}, "detail": {"activity": {"pAct_q10": 4.959, "fraction": 0.199}, "binding": {"pIC50": 5.74, "LE": 0.327, "potency_term": 0.246, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.246}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.678, "herg": 0.55, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.222, "novelty": 0.778}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 4.958833884940751, "aff_pf": 0.2629207869370778, "aff_hs": 0.8622627258300781, "repeats_pf": {"runs": 3, "values": [0.2361, 0.382, 0.1707], "mean": 0.2629, "spread": 0.2113}, "repeats_hs": {"runs": 3, "values": [0.9212, 0.8294, 0.8362], "mean": 0.8623, "spread": 0.0918}, "at": 1786881566}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872752, "scored_at": 1786881566, "alerts": [], "rank": 5239}, {"candidate_id": "ODC-B8FA17", "res_at": 1789360240, "skeleton": "RIPTXRAPMPNQNT", "hf_user": "Bio-JS", "display_name": "0914-S1-div19", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc1Cl", "total": 17.294, "axes": {"activity": 7.97, "binding": 4.0, "selectivity": 0.59, "admet": 2.34, "novelty": 1.21, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.078, "fraction": 0.266}, "binding": {"pIC50": 5.6, "LE": 0.349, "potency_term": 0.2, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.148, "target_engagement": 0.2}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.578, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.269, "ld50-zhu": 0.447, "herg": 0.812, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "0", "pAct_q10": 5.078406769088441, "aff_pf": 0.3993357717990875, "aff_hs": 0.694441964228948, "repeats_pf": {"runs": 3, "values": [0.3807, 0.4825, 0.3348], "mean": 0.3993, "spread": 0.1477}, "repeats_hs": {"runs": 3, "values": [0.4688, 0.5709, 1.0436], "mean": 0.6944, "spread": 0.5747}, "at": 1789360240}, "tier": 1, "alerts": [], "total_sd": 0.471, "total_ci95": [16.413, 18.281], "relegate_reason": [], "submitted_at": 1789346150, "scored_at": 1789360240, "rank": 5240}, {"candidate_id": "ODC-51EB63", "res_at": 1789879158, "skeleton": "POPHMFSUEFEZRR", "hf_user": "Bio-JS", "display_name": "0917-S1-div29", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········)cc1F", "total": 17.292, "axes": {"activity": 6.67, "binding": 4.73, "selectivity": 1.35, "admet": 2.14, "novelty": 1.37, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 5.0, "fraction": 0.222}, "binding": {"pIC50": 5.71, "LE": 0.34, "potency_term": 0.236, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.236}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.568, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.93, "cyp3a4-substrate-carbonmangels": 0.854, "ld50-zhu": 0.473, "herg": 0.367, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.000170482598707, "aff_pf": 0.2908640652894974, "aff_hs": 0.8631827235221863, "repeats_pf": {"runs": 3, "values": [0.3885, 0.2718, 0.2122], "mean": 0.2909, "spread": 0.1763}, "repeats_hs": {"runs": 3, "values": [0.9155, 0.8566, 0.8174], "mean": 0.8632, "spread": 0.0982}, "at": 1789879158}, "tier": 1, "alerts": [], "total_sd": 0.72, "total_ci95": [16.025, 18.677], "relegate_reason": [], "submitted_at": 1789628670, "scored_at": 1789879158, "rank": 5241}, {"candidate_id": "ODC-8DF797", "res_at": 1787190510, "skeleton": "JMSGTIUWZQFCQE", "hf_user": "epicsaga", "display_name": "PFD7-01", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········n2)c1", "total": 17.204, "axes": {"activity": 6.87, "binding": 4.63, "selectivity": 1.49, "admet": 1.55, "novelty": 1.54, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.012, "fraction": 0.229}, "binding": {"pIC50": 5.69, "LE": 0.325, "potency_term": 0.232, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.4, "selectivity_term": 0.322, "target_engagement": 0.232}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.446, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.827, "ld50-zhu": 0.618, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 5.012107388833294, "aff_pf": 0.3053618421157201, "aff_hs": 0.9494611422220866, "repeats_pf": {"runs": 3, "values": [0.3162, 0.2461, 0.3538], "mean": 0.3054, "spread": 0.1078}, "repeats_hs": {"runs": 3, "values": [0.9607, 1.0156, 0.8721], "mean": 0.9495, "spread": 0.1435}, "at": 1787190510}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188666, "scored_at": 1787190510, "alerts": [], "rank": 5242}, {"candidate_id": "ODC-81DD83", "res_at": 1786917471, "skeleton": "GVDDECFTOZMVLG", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········2)cc1", "total": 17.201, "axes": {"activity": 10.14, "binding": 0.88, "selectivity": 0.0, "admet": 2.58, "novelty": 1.99, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.209, "fraction": 0.338}, "binding": {"pIC50": 4.81, "LE": 0.213, "potency_term": 0.062, "efficiency_cap": 0.709}, "selectivity": {"fold": 1.1, "selectivity_term": 0.014, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.464, "ld50-zhu": 0.942, "herg": 0.05, "dili": 0.758}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.208662341398651, "aff_pf": 1.1899864474932353, "aff_hs": 1.2188645203908284, "repeats_pf": {"runs": 3, "values": [1.2074, 0.9765, 1.386], "mean": 1.19, "spread": 0.4095}, "repeats_hs": {"runs": 3, "values": [1.2116, 1.1572, 1.2878], "mean": 1.2189, "spread": 0.1307}, "at": 1786917471}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915703, "scored_at": 1786917471, "alerts": [], "rank": 5243}, {"candidate_id": "ODC-ED19A8", "res_at": 1787286627, "skeleton": "SGJJLIPWKFLTNG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········)cc1C", "total": 17.188, "axes": {"activity": 9.8, "binding": 0.91, "selectivity": 0.0, "admet": 2.84, "novelty": 2.41, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.327}, "binding": {"pIC50": 5.15, "LE": 0.282, "potency_term": 0.048, "efficiency_cap": 0.94}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.048}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.608, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 5.187749992246957, "aff_pf": 0.8545124729474386, "aff_hs": 0.15640186021725336, "repeats_pf": {"runs": 3, "values": [0.8761, 0.8368, 0.8507], "mean": 0.8545, "spread": 0.0393}, "repeats_hs": {"runs": 3, "values": [0.1049, 0.1303, 0.234], "mean": 0.1564, "spread": 0.129}, "at": 1787286627}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286069, "scored_at": 1787286627, "alerts": [], "rank": 5244}, {"candidate_id": "ODC-BEDEB8", "res_at": 1786967942, "skeleton": "HWVAEJULNXFSND", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 17.173, "axes": {"activity": 9.76, "binding": 1.02, "selectivity": 0.0, "admet": 3.15, "novelty": 1.89, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.185, "fraction": 0.325}, "binding": {"pIC50": 4.73, "LE": 0.36, "potency_term": 0.051, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.645, "per_endpoint": {"solubility-aqsoldb": 0.666, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.764, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.28, "herg": 1.0, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.185328845363924, "aff_pf": 1.2678016821543376, "aff_hs": 0.9583958784739176, "repeats_pf": {"runs": 3, "values": [1.2663, 1.344, 1.1931], "mean": 1.2678, "spread": 0.1509}, "repeats_hs": {"runs": 3, "values": [1.0042, 1.1195, 0.7515], "mean": 0.9584, "spread": 0.3681}, "at": 1786967942}, "tier": 1, "relegate_reason": [], "submitted_at": 1786967759, "scored_at": 1786967942, "alerts": [], "rank": 5245}, {"candidate_id": "ODC-F65606", "res_at": 1786844868, "skeleton": "PIXNSQYJQGTWEV", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc(Nc2ccc(Br)c(F)c2)c2cc(C(C)(F)F)ccc2n1", "smiles_masked": null, "total": 17.161, "axes": {"activity": 6.32, "binding": 5.44, "selectivity": 0.97, "admet": 1.64, "novelty": 1.43, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 4.979, "fraction": 0.211}, "binding": {"pIC50": 5.82, "LE": 0.332, "potency_term": 0.272, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.178, "target_engagement": 0.272}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.608, "herg": 0.499, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "2", "pAct_q10": 4.979376873378083, "aff_pf": 0.1844819982846578, "aff_hs": 0.5405392448107401, "repeats_pf": {"runs": 3, "values": [0.0828, 0.2066, 0.264], "mean": 0.1845, "spread": 0.1812}, "repeats_hs": {"runs": 3, "values": [0.6824, 0.4743, 0.465], "mean": 0.5405, "spread": 0.2174}, "at": 1786844868}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833065, "scored_at": 1786844868, "alerts": [], "rank": 5246}, {"candidate_id": "ODC-7D9A0F", "res_at": 1788143632, "skeleton": "WBNSJIZHTDGLCY", "hf_user": "Bio-JS", "display_name": "C4 음성대조 피롤 NH->N-메틸", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········C1CC1", "total": 17.142, "axes": {"activity": 10.15, "binding": 1.26, "selectivity": 0.0, "admet": 2.44, "novelty": 1.67, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.209, "fraction": 0.338}, "binding": {"pIC50": 5.2, "LE": 0.285, "potency_term": 0.066, "efficiency_cap": 0.95}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.066}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.356, "caco2-wang": 0.945, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.229, "ld50-zhu": 0.618, "herg": 0.05, "dili": 0.532}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 5.209058040277805, "aff_pf": 0.8006922006607056, "aff_hs": 0.4061938722928365, "repeats_pf": {"runs": 3, "values": [0.8656, 0.731, 0.8054], "mean": 0.8007, "spread": 0.1346}, "repeats_hs": {"runs": 3, "values": [0.4099, 0.4557, 0.353], "mean": 0.4062, "spread": 0.1027}, "at": 1788143632}, "tier": 1, "alerts": [], "total_sd": 0.214, "total_ci95": [16.72, 17.606], "relegate_reason": [], "submitted_at": 1788139285, "scored_at": 1788143632, "rank": 5247}, {"candidate_id": "ODC-ED323C", "res_at": 1788807491, "skeleton": "FYHRUQVQRMMEIP", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········nc2n1", "total": 17.133, "axes": {"activity": 6.99, "binding": 5.35, "selectivity": 0.48, "admet": 1.55, "novelty": 1.48, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.019, "fraction": 0.233}, "binding": {"pIC50": 5.82, "LE": 0.295, "potency_term": 0.272, "efficiency_cap": 0.984}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.272}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.576, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.697, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.599, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 5.019198826549589, "aff_pf": 0.1838280459245046, "aff_hs": 0.358715424935023, "repeats_pf": {"runs": 3, "values": [0.3, 0.4607, -0.2093], "mean": 0.1838, "spread": 0.67}, "repeats_hs": {"runs": 3, "values": [0.4012, 0.2857, 0.3893], "mean": 0.3587, "spread": 0.1156}, "at": 1788807491}, "tier": 1, "alerts": [], "total_sd": 2.31, "total_ci95": [14.113, 23.687], "relegate_reason": [], "submitted_at": 1788737329, "scored_at": 1788807491, "rank": 5248}, {"candidate_id": "ODC-77CC92", "res_at": 1788978499, "skeleton": "NCJZZBITGJKEJR", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········[nH]1", "total": 17.13, "axes": {"activity": 8.12, "binding": 3.75, "selectivity": 0.0, "admet": 2.13, "novelty": 1.77, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.087, "fraction": 0.271}, "binding": {"pIC50": 5.56, "LE": 0.318, "potency_term": 0.188, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.912, "ld50-zhu": 0.546, "herg": 0.435, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.087277713603066, "aff_pf": 0.43733688195546466, "aff_hs": 0.20978396634260812, "repeats_pf": {"runs": 3, "values": [0.4051, 0.3954, 0.5115], "mean": 0.4373, "spread": 0.1161}, "repeats_hs": {"runs": 3, "values": [0.2793, 0.1627, 0.1873], "mean": 0.2098, "spread": 0.1166}, "at": 1788978499}, "tier": 1, "alerts": [], "total_sd": 0.207, "total_ci95": [16.636, 17.41], "relegate_reason": [], "submitted_at": 1788971862, "scored_at": 1788978499, "rank": 5249}, {"candidate_id": "ODC-C1BCEC", "res_at": 1787238081, "skeleton": "BPWQNXWDPZZFAC", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CO/N=C(··········)cnn1", "total": 17.128, "axes": {"activity": 9.32, "binding": 2.2, "selectivity": 0.55, "admet": 1.42, "novelty": 2.26, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.159, "fraction": 0.311}, "binding": {"pIC50": 5.39, "LE": 0.255, "potency_term": 0.13, "efficiency_cap": 0.849}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.304, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.546, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.424, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.158990279434831, "aff_pf": 0.6110139489173889, "aff_hs": 1.0351646741231282, "repeats_pf": {"runs": 3, "values": [0.6951, 0.4734, 0.6645], "mean": 0.611, "spread": 0.2217}, "repeats_hs": {"runs": 3, "values": [1.1104, 0.9229, 1.0723], "mean": 1.0352, "spread": 0.1875}, "at": 1787238081}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234333, "scored_at": 1787238081, "alerts": [], "rank": 5250}, {"candidate_id": "ODC-F00614", "res_at": 1788332589, "skeleton": "ALXCSSNULBQRFI", "hf_user": "Bio-JS", "display_name": "0902-피라졸아마이드 사이클로프로필", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········F)nc1", "total": 17.12, "axes": {"activity": 6.62, "binding": 4.36, "selectivity": 1.54, "admet": 2.19, "novelty": 1.39, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 4.997, "fraction": 0.221}, "binding": {"pIC50": 5.65, "LE": 0.337, "potency_term": 0.218, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.661, "per_endpoint": {"solubility-aqsoldb": 0.674, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.668, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.349, "herg": 1.0, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 4.997226892200178, "aff_pf": 0.3457796474297841, "aff_hs": 1.050563136736552, "repeats_pf": {"runs": 3, "values": [0.3424, 0.3823, 0.3126], "mean": 0.3458, "spread": 0.0697}, "repeats_hs": {"runs": 3, "values": [0.8447, 1.1274, 1.1796], "mean": 1.0506, "spread": 0.3349}, "at": 1788332589}, "tier": 1, "alerts": [], "total_sd": 0.295, "total_ci95": [16.627, 17.741], "relegate_reason": [], "submitted_at": 1788327400, "scored_at": 1788332589, "rank": 5251}, {"candidate_id": "ODC-BB0094", "res_at": 1786862547, "skeleton": "YCQUFCQXOXZDFW", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········)nc12", "total": 17.119, "axes": {"activity": 7.08, "binding": 3.89, "selectivity": 1.58, "admet": 1.88, "novelty": 1.67, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 5.025, "fraction": 0.236}, "binding": {"pIC50": 5.58, "LE": 0.333, "potency_term": 0.195, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.406, "target_engagement": 0.195}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.638, "herg": 0.613, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.024910244121482, "aff_pf": 0.41610921422640484, "aff_hs": 1.2273590167363484, "repeats_pf": {"runs": 3, "values": [0.387, 0.3966, 0.4648], "mean": 0.4161, "spread": 0.0778}, "repeats_hs": {"runs": 3, "values": [1.1875, 1.2363, 1.2582], "mean": 1.2274, "spread": 0.0707}, "at": 1786862547}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854483, "scored_at": 1786862547, "alerts": [], "rank": 5252}, {"candidate_id": "ODC-DF1230", "res_at": 1787220391, "skeleton": "IMALBFCNGDMILL", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 17.094, "axes": {"activity": 10.16, "binding": 0.35, "selectivity": 0.02, "admet": 2.84, "novelty": 2.35, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.21, "fraction": 0.339}, "binding": {"pIC50": 5.06, "LE": 0.267, "potency_term": 0.02, "efficiency_cap": 0.889}, "selectivity": {"fold": 1.3, "selectivity_term": 0.053, "target_engagement": 0.02}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.593, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.991, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.508, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.209804526298904, "aff_pf": 0.9406135479609171, "aff_hs": 1.045748233795166, "repeats_pf": {"runs": 3, "values": [0.9386, 1.0181, 0.8652], "mean": 0.9406, "spread": 0.1529}, "repeats_hs": {"runs": 3, "values": [1.0108, 1.0839, 1.0426], "mean": 1.0457, "spread": 0.0731}, "at": 1787220391}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217326, "scored_at": 1787220391, "alerts": [], "rank": 5253}, {"candidate_id": "ODC-E92B25", "res_at": 1786896725, "skeleton": "RKXCZOPJEQFIHG", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 17.092, "axes": {"activity": 10.31, "binding": 0.85, "selectivity": 0.01, "admet": 2.03, "novelty": 2.52, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.218, "fraction": 0.344}, "binding": {"pIC50": 5.14, "LE": 0.281, "potency_term": 0.045, "efficiency_cap": 0.938}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.491, "herg": 0.144, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.218453595879713, "aff_pf": 0.8640209635098776, "aff_hs": 0.8796260754267374, "repeats_pf": {"runs": 3, "values": [0.8118, 0.8865, 0.8938], "mean": 0.864, "spread": 0.0819}, "repeats_hs": {"runs": 3, "values": [0.8282, 0.986, 0.8246], "mean": 0.8796, "spread": 0.1614}, "at": 1786896725}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881411, "scored_at": 1786896725, "alerts": [], "rank": 5254}, {"candidate_id": "ODC-908949", "res_at": 1786870599, "skeleton": "XYFBZWGMPQHPIU", "hf_user": "1Dmeds", "display_name": "ODC26-R3-V04", "model_name": "ODC-2026-R3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 17.087, "axes": {"activity": 9.45, "binding": 2.79, "selectivity": 0.39, "admet": 1.79, "novelty": 1.41, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.167, "fraction": 0.315}, "binding": {"pIC50": 5.42, "LE": 0.323, "potency_term": 0.14, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.14}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.496, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.489, "herg": 0.079, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "2", "pAct_q10": 5.167260010430874, "aff_pf": 0.5812464952468872, "aff_hs": 0.8639130592346191, "repeats_pf": {"runs": 3, "values": [0.6377, 0.5646, 0.5414], "mean": 0.5812, "spread": 0.0964}, "repeats_hs": {"runs": 3, "values": [1.0, 0.7437, 0.848], "mean": 0.8639, "spread": 0.2563}, "at": 1786870599}, "tier": 1, "relegate_reason": [], "submitted_at": 1786863737, "scored_at": 1786870599, "alerts": [], "rank": 5255}, {"candidate_id": "ODC-E16A96", "res_at": 1789923414, "skeleton": "PZNLRHCBARCLOK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 17.081, "axes": {"activity": 7.64, "binding": 5.2, "selectivity": 0.19, "admet": 1.17, "novelty": 1.58, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.059, "fraction": 0.255}, "binding": {"pIC50": 5.95, "LE": 0.247, "potency_term": 0.316, "efficiency_cap": 0.823}, "selectivity": {"fold": 1.2, "selectivity_term": 0.031, "target_engagement": 0.316}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "2", "pAct_q10": 5.058655482006418, "aff_pf": 0.05303983887036642, "aff_hs": 0.11407560110092163, "repeats_pf": {"runs": 3, "values": [0.3682, -0.1926, -0.0165], "mean": 0.053, "spread": 0.5608}, "repeats_hs": {"runs": 3, "values": [0.0743, -0.0847, 0.3527], "mean": 0.1141, "spread": 0.4375}, "at": 1789923414}, "tier": 1, "alerts": [], "total_sd": 1.611, "total_ci95": [14.898, 20.549], "relegate_reason": [], "submitted_at": 1789907449, "scored_at": 1789923414, "rank": 5256}, {"candidate_id": "ODC-087D87", "res_at": 1787056315, "skeleton": "ABMXAFQYHQLBNL", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C1)C2", "total": 17.074, "axes": {"activity": 2.67, "binding": 6.69, "selectivity": 0.6, "admet": 3.75, "novelty": 2.6, "synthesis": 0.76}, "detail": {"activity": {"pAct_q10": 4.554, "fraction": 0.089}, "binding": {"pIC50": 6.0, "LE": 0.374, "potency_term": 0.335, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.089, "target_engagement": 0.335}, "admet": {"geometric_mean": 0.746, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.523, "ld50-zhu": 0.833, "herg": 0.323, "dili": 0.491}}, "novelty": {"max_tanimoto": 0.224, "novelty": 0.776}, "synthesis": {"sa_score": 4.4}}, "run": {"gpu": "2", "pAct_q10": 4.553901705211904, "aff_pf": -0.004243612289428711, "aff_hs": 0.17374381919701895, "repeats_pf": {"runs": 3, "values": [-0.113, 0.0244, 0.0759], "mean": -0.0042, "spread": 0.1889}, "repeats_hs": {"runs": 3, "values": [0.5252, 0.0938, -0.0978], "mean": 0.1737, "spread": 0.623}, "at": 1787056315}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055683, "scored_at": 1787056315, "alerts": [], "rank": 5257}, {"candidate_id": "ODC-B4A122", "res_at": 1787121456, "skeleton": "BLZAKNLZXLLUOD", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ncc(··········3)cn1", "total": 17.069, "axes": {"activity": 7.81, "binding": 3.64, "selectivity": 1.89, "admet": 0.86, "novelty": 1.81, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.069, "fraction": 0.26}, "binding": {"pIC50": 5.69, "LE": 0.236, "potency_term": 0.231, "efficiency_cap": 0.788}, "selectivity": {"fold": 6.6, "selectivity_term": 0.409, "target_engagement": 0.231}, "admet": {"geometric_mean": 0.221, "per_endpoint": {"solubility-aqsoldb": 0.108, "caco2-wang": 0.265, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.593, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.22, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.306, "novelty": 0.694}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 5.068591234730629, "aff_pf": 0.3065990209579468, "aff_hs": 1.1240595976511638, "repeats_pf": {"runs": 3, "values": [0.3007, 0.3547, 0.2644], "mean": 0.3066, "spread": 0.0903}, "repeats_hs": {"runs": 3, "values": [1.2577, 1.0328, 1.0817], "mean": 1.1241, "spread": 0.2249}, "at": 1787121456}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102516, "scored_at": 1787121456, "alerts": [], "rank": 5258}, {"candidate_id": "ODC-D6877D", "res_at": 1787195817, "skeleton": "PZMIPBFBVPDOBV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cn1", "total": 17.057, "axes": {"activity": 9.43, "binding": 1.82, "selectivity": 0.0, "admet": 2.72, "novelty": 2.23, "synthesis": 0.85}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.314}, "binding": {"pIC50": 5.0, "LE": 0.274, "potency_term": 0.1, "efficiency_cap": 0.913}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.621, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.925, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.643, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 4.1}}, "run": {"gpu": "3", "pAct_q10": 5.165793105637362, "aff_pf": 1.0010005434354146, "aff_hs": 0.9697020053863525, "repeats_pf": {"runs": 3, "values": [1.0828, 1.0364, 0.8837], "mean": 1.001, "spread": 0.1991}, "repeats_hs": {"runs": 3, "values": [1.0384, 1.0059, 0.8647], "mean": 0.9697, "spread": 0.1737}, "at": 1787195817}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192193, "scored_at": 1787195817, "alerts": [], "rank": 5259}, {"candidate_id": "ODC-883BEF", "res_at": 1787056790, "skeleton": "YIRBPAGRYRBXAZ", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········O1)C2", "total": 17.03, "axes": {"activity": 3.45, "binding": 6.08, "selectivity": 2.46, "admet": 2.12, "novelty": 2.03, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.807, "fraction": 0.115}, "binding": {"pIC50": 5.91, "LE": 0.337, "potency_term": 0.304, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.4, "selectivity_term": 0.404, "target_engagement": 0.304}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.124, "ld50-zhu": 0.598, "herg": 0.237, "dili": 0.215}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.96}}, "run": {"gpu": "2", "pAct_q10": 4.807057551531645, "aff_pf": 0.0876045972108841, "aff_hs": 0.895543376604716, "repeats_pf": {"runs": 3, "values": [-0.0668, 0.291, 0.0387], "mean": 0.0876, "spread": 0.3578}, "repeats_hs": {"runs": 3, "values": [1.0186, 0.7267, 0.9414], "mean": 0.8955, "spread": 0.2919}, "at": 1787056790}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055755, "scored_at": 1787056790, "alerts": [], "rank": 5260}, {"candidate_id": "ODC-852D41", "res_at": 1786786832, "skeleton": "LXVIZNAXRVYXKF", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "400-450", "visibility": "public", "smiles": "Cn1nc(C(O)(c2ccc(F)c(Cl)c2)C(F)(F)F)c2cn(C3CCC3)c(=O)cc21", "smiles_masked": null, "total": 17.029, "axes": {"activity": 11.21, "binding": 0.72, "selectivity": 0.0, "admet": 2.11, "novelty": 1.66, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.273, "fraction": 0.374}, "binding": {"pIC50": 5.13, "LE": 0.243, "potency_term": 0.045, "efficiency_cap": 0.808}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.768, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.696, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.272892994985615, "aff_pf": 0.8657460411389669, "aff_hs": 0.4766262372334798, "repeats_pf": {"runs": 3, "values": [0.8979, 0.9021, 0.7972], "mean": 0.8657, "spread": 0.1049}, "repeats_hs": {"runs": 3, "values": [0.5423, 0.5092, 0.3784], "mean": 0.4766, "spread": 0.164}, "at": 1786786832}, "tier": 1, "relegate_reason": [], "submitted_at": 1786781103, "scored_at": 1786786832, "alerts": [], "rank": 5261}, {"candidate_id": "ODC-4BD80A", "res_at": 1787931554, "skeleton": "MSCJOGPKXRSPMA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ncc(··········2)cn1", "total": 16.98, "axes": {"activity": 5.58, "binding": 5.53, "selectivity": 1.87, "admet": 1.93, "novelty": 1.22, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.935, "fraction": 0.186}, "binding": {"pIC50": 5.83, "LE": 0.307, "potency_term": 0.276, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.501, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.27, "cyp2c9-veith": 0.498, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.43, "herg": 0.466, "dili": 0.231}}, "novelty": {"max_tanimoto": 0.557, "novelty": 0.443}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "0", "pAct_q10": 4.934506831420637, "aff_pf": 0.17108563582102457, "aff_hs": 0.8477727770805359, "repeats_pf": {"runs": 3, "values": [0.0914, 0.102, 0.3198], "mean": 0.1711, "spread": 0.2284}, "repeats_hs": {"runs": 3, "values": [0.8105, 0.7212, 1.0117], "mean": 0.8478, "spread": 0.2906}, "at": 1787931554}, "tier": 1, "relegate_reason": [], "submitted_at": 1787906986, "scored_at": 1787931554, "alerts": [], "rank": 5262}, {"candidate_id": "ODC-B99742", "res_at": 1786858010, "skeleton": "SAGGGHHOKXASSG", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 16.978, "axes": {"activity": 0.94, "binding": 7.2, "selectivity": 2.43, "admet": 2.9, "novelty": 1.8, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 4.136, "fraction": 0.031}, "binding": {"pIC50": 6.08, "LE": 0.362, "potency_term": 0.36, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.338, "target_engagement": 0.36}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.67, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.428, "herg": 0.722, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 4.136470890382985, "aff_pf": -0.07970774918794632, "aff_hs": 0.5958441297213236, "repeats_pf": {"runs": 3, "values": [-0.0772, -0.1654, 0.0035], "mean": -0.0797, "spread": 0.1689}, "repeats_hs": {"runs": 3, "values": [0.5365, 0.6345, 0.6166], "mean": 0.5958, "spread": 0.0979}, "at": 1786858010}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848320, "scored_at": 1786858010, "alerts": [], "rank": 5263}, {"candidate_id": "ODC-5AC8CD", "res_at": 1789933435, "skeleton": "HLPDLOJNYFQBFE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCC(··········2)CC1", "total": 16.959, "axes": {"activity": 9.59, "binding": 0.6, "selectivity": 0.0, "admet": 3.23, "novelty": 1.95, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.175, "fraction": 0.32}, "binding": {"pIC50": 4.6, "LE": 0.243, "potency_term": 0.037, "efficiency_cap": 0.808}, "selectivity": {"fold": 1.4, "selectivity_term": 0.077, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.673, "per_endpoint": {"solubility-aqsoldb": 0.582, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.859, "cyp3a4-substrate-carbonmangels": 0.939, "ld50-zhu": 0.57, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "0", "pAct_q10": 5.175102999619168, "aff_pf": 1.3975340525309246, "aff_hs": 1.5509026050567627, "repeats_pf": {"runs": 3, "values": [1.3919, 1.3806, 1.4201], "mean": 1.3975, "spread": 0.0395}, "repeats_hs": {"runs": 3, "values": [1.5934, 1.5349, 1.5244], "mean": 1.5509, "spread": 0.069}, "at": 1789933435}, "tier": 1, "alerts": [], "total_sd": 0.015, "total_ci95": [16.938, 16.987], "relegate_reason": [], "submitted_at": 1789778720, "scored_at": 1789933435, "rank": 5264}, {"candidate_id": "ODC-24A61D", "res_at": 1788980767, "skeleton": "LAALXHMFNSUTSR", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········[nH]1", "total": 16.943, "axes": {"activity": 6.84, "binding": 5.32, "selectivity": 0.0, "admet": 1.84, "novelty": 1.61, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.01, "fraction": 0.228}, "binding": {"pIC50": 5.8, "LE": 0.361, "potency_term": 0.266, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.243, "ld50-zhu": 0.474, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "0", "pAct_q10": 5.010442553188072, "aff_pf": 0.20230727394421896, "aff_hs": 0.014364500840504965, "repeats_pf": {"runs": 3, "values": [0.193, 0.3206, 0.0934], "mean": 0.2023, "spread": 0.2273}, "repeats_hs": {"runs": 3, "values": [0.1547, -0.1366, 0.025], "mean": 0.0144, "spread": 0.2913}, "at": 1788980767}, "tier": 1, "alerts": [], "total_sd": 0.694, "total_ci95": [15.473, 18.322], "relegate_reason": [], "submitted_at": 1788972134, "scored_at": 1788980767, "rank": 5265}, {"candidate_id": "ODC-661075", "res_at": 1788979781, "skeleton": "XZPLMCZVZHDOHD", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········Cl)c1", "total": 16.942, "axes": {"activity": 7.26, "binding": 4.03, "selectivity": 0.95, "admet": 1.88, "novelty": 1.61, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.035, "fraction": 0.242}, "binding": {"pIC50": 5.6, "LE": 0.32, "potency_term": 0.201, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.965, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.564, "herg": 0.929, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.035477714285265, "aff_pf": 0.3960208197434743, "aff_hs": 0.8703217109044393, "repeats_pf": {"runs": 3, "values": [0.5053, 0.2706, 0.4121], "mean": 0.396, "spread": 0.2346}, "repeats_hs": {"runs": 3, "values": [0.8, 0.9971, 0.8138], "mean": 0.8703, "spread": 0.1971}, "at": 1788979781}, "tier": 1, "alerts": [], "total_sd": 0.668, "total_ci95": [16.036, 18.453], "relegate_reason": [], "submitted_at": 1788971943, "scored_at": 1788979781, "rank": 5266}, {"candidate_id": "ODC-D44D9F", "res_at": 1787029302, "skeleton": "PCIPLMHJMDZKMW", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 16.941, "axes": {"activity": 10.46, "binding": 2.61, "selectivity": 0.02, "admet": 2.32, "novelty": 0.52, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 5.227, "fraction": 0.349}, "binding": {"pIC50": 5.5, "LE": 0.235, "potency_term": 0.166, "efficiency_cap": 0.785}, "selectivity": {"fold": 1.0, "selectivity_term": 0.006, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.939, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.868, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.85, "novelty": 0.15}, "synthesis": {"sa_score": 3.97}}, "run": {"gpu": "3", "pAct_q10": 5.227342591347718, "aff_pf": 0.5007456342379252, "aff_hs": 0.5122320751349131, "repeats_pf": {"runs": 3, "values": [0.5187, 0.4431, 0.5404], "mean": 0.5007, "spread": 0.0973}, "repeats_hs": {"runs": 3, "values": [0.6449, 0.6109, 0.2809], "mean": 0.5122, "spread": 0.3641}, "at": 1787029302}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029117, "scored_at": 1787029302, "alerts": [], "rank": 5267}, {"candidate_id": "ODC-968F7C", "res_at": 1787130389, "skeleton": "JMMSRICLUONPOT", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 16.936, "axes": {"activity": 9.47, "binding": 3.19, "selectivity": 0.0, "admet": 1.3, "novelty": 1.72, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.168, "fraction": 0.316}, "binding": {"pIC50": 5.63, "LE": 0.227, "potency_term": 0.211, "efficiency_cap": 0.757}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.211}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.508, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.656, "herg": 0.052, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.168099449040721, "aff_pf": 0.36690589785575867, "aff_hs": -0.20122472941875458, "repeats_pf": {"runs": 3, "values": [0.3085, 0.5086, 0.2836], "mean": 0.3669, "spread": 0.225}, "repeats_hs": {"runs": 3, "values": [-0.1432, -0.2782, -0.1823], "mean": -0.2012, "spread": 0.135}, "at": 1787130389}, "tier": 1, "relegate_reason": [], "submitted_at": 1787119896, "scored_at": 1787130389, "alerts": [], "rank": 5268}, {"candidate_id": "ODC-CBB1F6", "res_at": 1787501664, "skeleton": "QYNCZRZLYZYPKU", "hf_user": "NILKNARFGonzo", "display_name": "2-(4-(2-(4'-fluoro-[1,1'-biphenyl]-4-yl)-7-(4-(methylamino)p", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "CNc1ccc(-c2cc(-c3ccc(C(C)(C)C#N)cc3)nc3cc(-c4ccc(-c5ccc(F)cc5)cc4)nn23)cc1", "smiles_masked": null, "total": 16.936, "axes": {"activity": 10.3, "binding": 1.07, "selectivity": 0.0, "admet": 1.63, "novelty": 2.31, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.218, "fraction": 0.343}, "binding": {"pIC50": 4.98, "LE": 0.167, "potency_term": 0.096, "efficiency_cap": 0.555}, "selectivity": {"fold": 2.0, "selectivity_term": 0.147, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.815, "cyp3a4-substrate-carbonmangels": 0.057, "ld50-zhu": 0.817, "herg": 0.05, "dili": 0.34}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.217755100141657, "aff_pf": 1.015040437380473, "aff_hs": 1.3086628913879395, "repeats_pf": {"runs": 3, "values": [0.921, 0.85, 1.2741], "mean": 1.015, "spread": 0.4241}, "repeats_hs": {"runs": 3, "values": [1.2522, 1.381, 1.2928], "mean": 1.3087, "spread": 0.1288}, "at": 1787501664}, "tier": 1, "relegate_reason": [], "submitted_at": 1787495447, "scored_at": 1787501664, "alerts": [], "rank": 5269}, {"candidate_id": "ODC-3D16A4", "res_at": 1787239101, "skeleton": "ADRCIZCMKDYMST", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 16.924, "axes": {"activity": 11.09, "binding": 0.46, "selectivity": 0.0, "admet": 1.46, "novelty": 2.07, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.265, "fraction": 0.37}, "binding": {"pIC50": 4.59, "LE": 0.191, "potency_term": 0.036, "efficiency_cap": 0.636}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.599, "ld50-zhu": 0.326, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 5.265326458229969, "aff_pf": 1.4057221015294392, "aff_hs": 1.6705924272537231, "repeats_pf": {"runs": 3, "values": [1.3376, 1.3359, 1.5437], "mean": 1.4057, "spread": 0.2078}, "repeats_hs": {"runs": 3, "values": [1.6627, 1.9309, 1.4182], "mean": 1.6706, "spread": 0.5127}, "at": 1787239101}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234351, "scored_at": 1787239101, "alerts": [], "rank": 5270}, {"candidate_id": "ODC-CD30FD", "res_at": 1787199017, "skeleton": "BYXRYJWKHVXYCC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-02-F-Me-A", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········F)c1C", "total": 16.909, "axes": {"activity": 9.18, "binding": 1.77, "selectivity": 0.0, "admet": 2.62, "novelty": 2.26, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.151, "fraction": 0.306}, "binding": {"pIC50": 5.29, "LE": 0.279, "potency_term": 0.095, "efficiency_cap": 0.929}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.095}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.537, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.55}}, "run": {"gpu": "3", "pAct_q10": 5.150989218151748, "aff_pf": 0.7135946154594421, "aff_hs": 0.1728559248149395, "repeats_pf": {"runs": 3, "values": [0.6745, 0.7844, 0.6818], "mean": 0.7136, "spread": 0.1099}, "repeats_hs": {"runs": 3, "values": [0.0226, -0.0253, 0.5213], "mean": 0.1729, "spread": 0.5466}, "at": 1787199017}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195463, "scored_at": 1787199017, "alerts": [], "rank": 5271}, {"candidate_id": "ODC-C32C32", "res_at": 1787077572, "skeleton": "MCKRYXGDVRPYOJ", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc2n1", "total": 16.908, "axes": {"activity": 8.11, "binding": 3.16, "selectivity": 1.58, "admet": 1.14, "novelty": 1.87, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 5.087, "fraction": 0.27}, "binding": {"pIC50": 5.69, "LE": 0.205, "potency_term": 0.231, "efficiency_cap": 0.684}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.231}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.1, "caco2-wang": 0.461, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.598, "cyp3a4-substrate-carbonmangels": 0.341, "ld50-zhu": 0.149, "herg": 0.05, "dili": 0.234}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.086677467947235, "aff_pf": 0.30634963512420654, "aff_hs": 0.9907872875531515, "repeats_pf": {"runs": 3, "values": [0.4458, 0.1568, 0.3164], "mean": 0.3063, "spread": 0.289}, "repeats_hs": {"runs": 3, "values": [1.2067, 0.9278, 0.8379], "mean": 0.9908, "spread": 0.3688}, "at": 1787077572}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066916, "scored_at": 1787077572, "alerts": [], "rank": 5272}, {"candidate_id": "ODC-5F16CF", "res_at": 1789247202, "skeleton": "CHZSTFAAJLIIPU", "hf_user": "Bio-JS", "display_name": "0913-S1-div29", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cc1", "total": 16.904, "axes": {"activity": 9.4, "binding": 1.78, "selectivity": 0.0, "admet": 2.77, "novelty": 1.78, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.164, "fraction": 0.313}, "binding": {"pIC50": 5.27, "LE": 0.314, "potency_term": 0.089, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.572, "caco2-wang": 0.873, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.998, "cyp3a4-substrate-carbonmangels": 0.448, "ld50-zhu": 0.258, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "0", "pAct_q10": 5.163901694741617, "aff_pf": 0.732856810092926, "aff_hs": 0.6909386515617371, "repeats_pf": {"runs": 3, "values": [0.7553, 0.7841, 0.6592], "mean": 0.7329, "spread": 0.1249}, "repeats_hs": {"runs": 3, "values": [0.6574, 0.5718, 0.8436], "mean": 0.6909, "spread": 0.2718}, "at": 1789247202}, "tier": 1, "alerts": [], "total_sd": 0.203, "total_ci95": [16.562, 17.431], "relegate_reason": [], "submitted_at": 1789226396, "scored_at": 1789247202, "rank": 5273}, {"candidate_id": "ODC-A0E540", "res_at": 1787217828, "skeleton": "TWTOSVQMKIVNQB", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCOc1··········)C2=O", "total": 16.887, "axes": {"activity": 6.17, "binding": 5.43, "selectivity": 0.77, "admet": 1.31, "novelty": 1.89, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 4.97, "fraction": 0.206}, "binding": {"pIC50": 5.93, "LE": 0.262, "potency_term": 0.311, "efficiency_cap": 0.874}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.311}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 4.970232700056184, "aff_pf": 0.06778949499130249, "aff_hs": 0.31618167956670123, "repeats_pf": {"runs": 3, "values": [0.0599, -0.0779, 0.2214], "mean": 0.0678, "spread": 0.2993}, "repeats_hs": {"runs": 3, "values": [0.1707, 0.3322, 0.4456], "mean": 0.3162, "spread": 0.2749}, "at": 1787217828}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217061, "scored_at": 1787217828, "alerts": [], "rank": 5274}, {"candidate_id": "ODC-6EE170", "res_at": 1786979309, "skeleton": "BEDXVYZPNHBZLF", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCCCCN··········cccc1", "total": 16.828, "axes": {"activity": 9.75, "binding": 0.14, "selectivity": 0.0, "admet": 3.37, "novelty": 2.06, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.185, "fraction": 0.325}, "binding": {"pIC50": 4.04, "LE": 0.231, "potency_term": 0.009, "efficiency_cap": 0.769}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.691, "per_endpoint": {"solubility-aqsoldb": 0.977, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 0.832, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.454, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "2", "pAct_q10": 5.184923880286209, "aff_pf": 1.9581786394119263, "aff_hs": 1.4293086131413777, "repeats_pf": {"runs": 3, "values": [1.9286, 1.9433, 2.0027], "mean": 1.9582, "spread": 0.0741}, "repeats_hs": {"runs": 3, "values": [1.4324, 1.4245, 1.431], "mean": 1.4293, "spread": 0.0079}, "at": 1786979309}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977217, "scored_at": 1786979309, "alerts": [], "rank": 5275}, {"candidate_id": "ODC-43A3EE", "res_at": 1787069455, "skeleton": "MCUIEJAABKOLSL", "hf_user": "snsapple", "display_name": "snsapple", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cn1", "total": 16.822, "axes": {"activity": 8.02, "binding": 3.54, "selectivity": 0.0, "admet": 2.21, "novelty": 1.84, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.081, "fraction": 0.267}, "binding": {"pIC50": 5.56, "LE": 0.282, "potency_term": 0.188, "efficiency_cap": 0.941}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.797, "cyp3a4-substrate-carbonmangels": 0.582, "ld50-zhu": 0.604, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.081009022741265, "aff_pf": 0.43587177991867065, "aff_hs": 0.17423131068547568, "repeats_pf": {"runs": 3, "values": [0.3702, 0.4569, 0.4806], "mean": 0.4359, "spread": 0.1104}, "repeats_hs": {"runs": 3, "values": [0.2098, 0.1879, 0.125], "mean": 0.1742, "spread": 0.0847}, "at": 1787069455}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064982, "scored_at": 1787069455, "alerts": [], "rank": 5276}, {"candidate_id": "ODC-72792F", "res_at": 1786967449, "skeleton": "QZLWQABOKGTDPL", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 16.816, "axes": {"activity": 9.13, "binding": 1.69, "selectivity": 0.21, "admet": 2.43, "novelty": 1.83, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 5.25, "LE": 0.327, "potency_term": 0.085, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.121, "target_engagement": 0.085}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.575, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.853, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.479, "herg": 0.05, "dili": 0.5}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "2", "pAct_q10": 5.147561200437799, "aff_pf": 0.7458644906679789, "aff_hs": 0.9878726402918497, "repeats_pf": {"runs": 3, "values": [0.6334, 0.7281, 0.8761], "mean": 0.7459, "spread": 0.2427}, "repeats_hs": {"runs": 3, "values": [1.0182, 0.9954, 0.9499], "mean": 0.9879, "spread": 0.0683}, "at": 1786967449}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966929, "scored_at": 1786967449, "alerts": [], "rank": 5277}, {"candidate_id": "ODC-57A21E", "res_at": 1786906366, "skeleton": "CMWUFURALBBIAR", "hf_user": "Nanimida", "display_name": "Nanimida", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········n2)s1", "total": 16.799, "axes": {"activity": 10.49, "binding": 0.55, "selectivity": 0.0, "admet": 2.93, "novelty": 1.2, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 5.229, "fraction": 0.35}, "binding": {"pIC50": 4.56, "LE": 0.25, "potency_term": 0.033, "efficiency_cap": 0.833}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.53, "ld50-zhu": 0.672, "herg": 0.328, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.656, "novelty": 0.344}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "2", "pAct_q10": 5.229101888419014, "aff_pf": 1.4401288429896038, "aff_hs": 0.5169017910957336, "repeats_pf": {"runs": 3, "values": [1.3847, 1.4911, 1.4446], "mean": 1.4401, "spread": 0.1064}, "repeats_hs": {"runs": 3, "values": [0.4579, 0.5794, 0.5134], "mean": 0.5169, "spread": 0.1215}, "at": 1786906366}, "tier": 1, "relegate_reason": [], "submitted_at": 1786905947, "scored_at": 1786906366, "alerts": [], "rank": 5278}, {"candidate_id": "ODC-24324C", "res_at": 1787137177, "skeleton": "UNFLKVMXEPFNDZ", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 16.791, "axes": {"activity": 10.26, "binding": 0.73, "selectivity": 0.0, "admet": 2.38, "novelty": 1.86, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.216, "fraction": 0.342}, "binding": {"pIC50": 4.64, "LE": 0.265, "potency_term": 0.041, "efficiency_cap": 0.884}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.181, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.704, "ld50-zhu": 0.625, "herg": 0.413, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.215684444416114, "aff_pf": 1.3553132613499959, "aff_hs": 1.5208235184351604, "repeats_pf": {"runs": 3, "values": [1.2866, 1.4482, 1.3311], "mean": 1.3553, "spread": 0.1616}, "repeats_hs": {"runs": 3, "values": [1.4898, 1.6066, 1.4661], "mean": 1.5208, "spread": 0.1405}, "at": 1787137177}, "tier": 1, "relegate_reason": [], "submitted_at": 1787135515, "scored_at": 1787137177, "alerts": [], "rank": 5279}, {"candidate_id": "ODC-1A937A", "res_at": 1789485374, "skeleton": "CLODMKKATPMDHH", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCC(N)c··········Cl)c1", "total": 16.783, "axes": {"activity": 6.61, "binding": 4.3, "selectivity": 1.82, "admet": 1.58, "novelty": 1.47, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.997, "fraction": 0.22}, "binding": {"pIC50": 5.64, "LE": 0.322, "potency_term": 0.215, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.0, "selectivity_term": 0.423, "target_engagement": 0.215}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.672, "herg": 0.442, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 4.996510194190295, "aff_pf": 0.35561326146125793, "aff_hs": 1.2015588680903118, "repeats_pf": {"runs": 3, "values": [0.3643, 0.4003, 0.3022], "mean": 0.3556, "spread": 0.0982}, "repeats_hs": {"runs": 3, "values": [0.9848, 1.2144, 1.4054], "mean": 1.2016, "spread": 0.4206}, "at": 1789485374}, "tier": 1, "alerts": [], "total_sd": 0.371, "total_ci95": [16.12, 17.641], "relegate_reason": [], "submitted_at": 1789483848, "scored_at": 1789485374, "rank": 5280}, {"candidate_id": "ODC-650277", "res_at": 1787325280, "skeleton": "VDAVVVLQHIRBTJ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1cc(Br)c(C(=O)NC(C)C)s1", "smiles_masked": null, "total": 16.778, "axes": {"activity": 6.13, "binding": 6.11, "selectivity": 0.0, "admet": 1.74, "novelty": 1.44, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 4.968, "fraction": 0.204}, "binding": {"pIC50": 5.92, "LE": 0.338, "potency_term": 0.305, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.305}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.697, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.651, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.494, "ld50-zhu": 0.542, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.529, "novelty": 0.471}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 4.967627121880794, "aff_pf": 0.0835586463411649, "aff_hs": -0.780224064985911, "repeats_pf": {"runs": 3, "values": [0.0453, 0.1084, 0.097], "mean": 0.0836, "spread": 0.063}, "repeats_hs": {"runs": 3, "values": [-0.8381, -0.7047, -0.7979], "mean": -0.7802, "spread": 0.1334}, "at": 1787325280}, "tier": 1, "relegate_reason": [], "submitted_at": 1787322714, "scored_at": 1787325280, "alerts": [], "rank": 5281}, {"candidate_id": "ODC-B78BB0", "res_at": 1787268367, "skeleton": "WCFOQTQNYSCTCS", "hf_user": "Ku-ku", "display_name": "W12_nBu_PhOMe", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 16.767, "axes": {"activity": 9.91, "binding": 0.87, "selectivity": 0.0, "admet": 2.48, "novelty": 1.85, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 5.195, "fraction": 0.33}, "binding": {"pIC50": 4.83, "LE": 0.201, "potency_term": 0.065, "efficiency_cap": 0.668}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.505, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.536, "cyp2c9-veith": 0.863, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.998}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "3", "pAct_q10": 5.194520412298757, "aff_pf": 1.1704309781392415, "aff_hs": 0.5519324739774069, "repeats_pf": {"runs": 3, "values": [1.1732, 1.3151, 1.023], "mean": 1.1704, "spread": 0.2921}, "repeats_hs": {"runs": 3, "values": [0.635, 0.3879, 0.6329], "mean": 0.5519, "spread": 0.2471}, "at": 1787268367}, "tier": 1, "relegate_reason": [], "submitted_at": 1787267269, "scored_at": 1787268367, "alerts": [], "rank": 5282}, {"candidate_id": "ODC-55767F", "res_at": 1789234564, "skeleton": "LPFCEMZPCDFMDR", "hf_user": "Bio-JS", "display_name": "0913-S1-div12", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 16.733, "axes": {"activity": 10.05, "binding": 0.97, "selectivity": 0.0, "admet": 2.34, "novelty": 1.99, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.203, "fraction": 0.335}, "binding": {"pIC50": 5.15, "LE": 0.282, "potency_term": 0.051, "efficiency_cap": 0.941}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.051}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.55, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.981, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.456, "herg": 0.146, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 5.203160084545921, "aff_pf": 0.8461889326572418, "aff_hs": 0.8473515709241232, "repeats_pf": {"runs": 3, "values": [0.4499, 1.2872, 0.8014], "mean": 0.8462, "spread": 0.8373}, "repeats_hs": {"runs": 3, "values": [0.9633, 0.7782, 0.8006], "mean": 0.8474, "spread": 0.1851}, "at": 1789234564}, "tier": 1, "alerts": [], "total_sd": 0.945, "total_ci95": [15.992, 20.063], "relegate_reason": [], "submitted_at": 1789226324, "scored_at": 1789234564, "rank": 5283}, {"candidate_id": "ODC-DA1A0F", "res_at": 1787328697, "skeleton": "ZBISQJBUIRDBRA", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nnc2cc(-c3ccc(F)cc3)cnc2c1-c1ccc(C(C)(C)C#N)cc1", "smiles_masked": null, "total": 16.725, "axes": {"activity": 8.1, "binding": 4.34, "selectivity": 0.0, "admet": 1.13, "novelty": 1.85, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 5.086, "fraction": 0.27}, "binding": {"pIC50": 5.72, "LE": 0.27, "potency_term": 0.241, "efficiency_cap": 0.901}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.654, "herg": 0.05, "dili": 0.276}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.085846301831349, "aff_pf": 0.2771849085887273, "aff_hs": -0.09495353947083156, "repeats_pf": {"runs": 3, "values": [0.1634, 0.3484, 0.3197], "mean": 0.2772, "spread": 0.1851}, "repeats_hs": {"runs": 3, "values": [-0.0955, -0.0127, -0.1767], "mean": -0.095, "spread": 0.164}, "at": 1787328697}, "tier": 1, "relegate_reason": [], "submitted_at": 1787327835, "scored_at": 1787328697, "alerts": [], "rank": 5284}, {"candidate_id": "ODC-38867D", "res_at": 1786870061, "skeleton": "XSYYOCGZHWCMEQ", "hf_user": "DOATC", "display_name": "SOL_CLAUDE_BREAKER_01", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 16.724, "axes": {"activity": 5.92, "binding": 5.91, "selectivity": 0.0, "admet": 1.78, "novelty": 1.82, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 4.955, "fraction": 0.197}, "binding": {"pIC50": 5.89, "LE": 0.351, "potency_term": 0.296, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.296}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.782, "cyp2c9-veith": 0.164, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.354, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 4.954940289597718, "aff_pf": 0.113436758518219, "aff_hs": 0.06902505209048589, "repeats_pf": {"runs": 3, "values": [0.0943, 0.1528, 0.0931], "mean": 0.1134, "spread": 0.0597}, "repeats_hs": {"runs": 3, "values": [0.0262, -0.0241, 0.2049], "mean": 0.069, "spread": 0.229}, "at": 1786870061}, "tier": 1, "relegate_reason": [], "submitted_at": 1786864870, "scored_at": 1786870061, "alerts": [], "rank": 5285}, {"candidate_id": "ODC-6B0B48", "res_at": 1789907007, "skeleton": "DINLSKGIMCJYMM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 16.723, "axes": {"activity": 10.75, "binding": 0.61, "selectivity": 0.0, "admet": 1.68, "novelty": 1.88, "synthesis": 1.79}, "detail": {"activity": {"pAct_q10": 5.245, "fraction": 0.358}, "binding": {"pIC50": 5.13, "LE": 0.213, "potency_term": 0.043, "efficiency_cap": 0.71}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.043}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.898, "ld50-zhu": 0.618, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "2", "pAct_q10": 5.245274723078843, "aff_pf": 0.8709662556648254, "aff_hs": 0.7079614897569021, "repeats_pf": {"runs": 3, "values": [0.8606, 0.8716, 0.8807], "mean": 0.871, "spread": 0.0201}, "repeats_hs": {"runs": 3, "values": [0.7833, 0.8588, 0.4818], "mean": 0.708, "spread": 0.3769}, "at": 1789907007}, "tier": 1, "alerts": [], "total_sd": 0.022, "total_ci95": [16.676, 16.756], "relegate_reason": [], "submitted_at": 1789778808, "scored_at": 1789907007, "rank": 5286}, {"candidate_id": "ODC-FF0B60", "res_at": 1787051754, "skeleton": "DZOBFKOONOFIGK", "hf_user": "takutoyo", "display_name": "PfD6-B6", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nnc··········3)n12", "total": 16.71, "axes": {"activity": 7.49, "binding": 3.68, "selectivity": 0.83, "admet": 1.97, "novelty": 1.67, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.05, "fraction": 0.25}, "binding": {"pIC50": 5.55, "LE": 0.346, "potency_term": 0.184, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.738, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.944, "cyp2c9-veith": 0.467, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.519, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "2", "pAct_q10": 5.04963395277314, "aff_pf": 0.4478972752888997, "aff_hs": 0.8997894525527954, "repeats_pf": {"runs": 3, "values": [0.4799, 0.3988, 0.465], "mean": 0.4479, "spread": 0.081}, "repeats_hs": {"runs": 3, "values": [0.9653, 0.8622, 0.8719], "mean": 0.8998, "spread": 0.1031}, "at": 1787051754}, "tier": 1, "relegate_reason": [], "submitted_at": 1787047105, "scored_at": 1787051754, "alerts": [], "rank": 5287}, {"candidate_id": "ODC-3C75BE", "res_at": 1786847796, "skeleton": "APCGXHUAIPWCJB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)cncc2n1-c1ccc(C(=O)NC2CC2)o1", "smiles_masked": null, "total": 16.704, "axes": {"activity": 9.7, "binding": 1.39, "selectivity": 0.0, "admet": 2.58, "novelty": 1.64, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.182, "fraction": 0.323}, "binding": {"pIC50": 4.87, "LE": 0.29, "potency_term": 0.072, "efficiency_cap": 0.966}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.601, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.643, "cyp3a4-substrate-carbonmangels": 0.245, "ld50-zhu": 0.342, "herg": 0.359, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.182286143134406, "aff_pf": 1.1326336065928142, "aff_hs": 0.7486734986305237, "repeats_pf": {"runs": 3, "values": [1.1129, 1.1429, 1.1421], "mean": 1.1326, "spread": 0.03}, "repeats_hs": {"runs": 3, "values": [0.6982, 0.745, 0.8028], "mean": 0.7487, "spread": 0.1045}, "at": 1786847796}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845792, "scored_at": 1786847796, "alerts": [], "rank": 5288}, {"candidate_id": "ODC-EC8DE4", "res_at": 1786977829, "skeleton": "JWINZLBVNIBOQO", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)CC··········cccc1", "total": 16.688, "axes": {"activity": 9.67, "binding": 0.22, "selectivity": 0.0, "admet": 3.21, "novelty": 2.1, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.18, "fraction": 0.322}, "binding": {"pIC50": 4.23, "LE": 0.232, "potency_term": 0.015, "efficiency_cap": 0.772}, "selectivity": {"fold": 1.9, "selectivity_term": 0.144, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.665, "per_endpoint": {"solubility-aqsoldb": 0.998, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 0.675, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.456, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.180489193532095, "aff_pf": 1.7716400623321533, "aff_hs": 2.0598917802174888, "repeats_pf": {"runs": 3, "values": [1.7436, 1.6802, 1.8912], "mean": 1.7716, "spread": 0.211}, "repeats_hs": {"runs": 3, "values": [2.2612, 1.9108, 2.0076], "mean": 2.0599, "spread": 0.3504}, "at": 1786977829}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975869, "scored_at": 1786977829, "alerts": [], "rank": 5289}, {"candidate_id": "ODC-8D7839", "res_at": 1789518674, "skeleton": "GFTLJDRUMOMBIP", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CON(c1c··········)nn12", "total": 16.685, "axes": {"activity": 7.49, "binding": 2.86, "selectivity": 2.56, "admet": 1.66, "novelty": 1.5, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 5.049, "fraction": 0.25}, "binding": {"pIC50": 5.54, "LE": 0.237, "potency_term": 0.181, "efficiency_cap": 0.791}, "selectivity": {"fold": 26.0, "selectivity_term": 0.708, "target_engagement": 0.181}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.372, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.912, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 4.27}}, "run": {"gpu": "0", "pAct_q10": 5.049413970723611, "aff_pf": 0.4583677152792613, "aff_hs": 1.8739731311798096, "repeats_pf": {"runs": 3, "values": [0.4155, 0.4893, 0.4703], "mean": 0.4584, "spread": 0.0738}, "repeats_hs": {"runs": 3, "values": [1.8576, 1.9178, 1.8465], "mean": 1.874, "spread": 0.0714}, "at": 1789518674}, "tier": 1, "alerts": [], "total_sd": 0.229, "total_ci95": [16.337, 17.181], "relegate_reason": [], "submitted_at": 1789517862, "scored_at": 1789518674, "rank": 5290}, {"candidate_id": "ODC-116A26", "res_at": 1789075763, "skeleton": "RXEYBQFMJQIZBP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········2)CC1", "total": 16.666, "axes": {"activity": 8.76, "binding": 3.35, "selectivity": 0.0, "admet": 1.36, "novelty": 1.8, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.126, "fraction": 0.292}, "binding": {"pIC50": 5.64, "LE": 0.234, "potency_term": 0.214, "efficiency_cap": 0.781}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.214}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.229, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.187, "cyp2c9-veith": 0.323, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.483, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 5.125823904395811, "aff_pf": 0.35684502124786377, "aff_hs": 0.18841760357220969, "repeats_pf": {"runs": 3, "values": [0.2979, 0.2648, 0.5078], "mean": 0.3568, "spread": 0.2431}, "repeats_hs": {"runs": 3, "values": [0.1183, 0.2387, 0.2083], "mean": 0.1884, "spread": 0.1204}, "at": 1789075763}, "tier": 1, "alerts": [], "total_sd": 0.358, "total_ci95": [15.812, 17.208], "relegate_reason": [], "submitted_at": 1789046000, "scored_at": 1789075763, "rank": 5291}, {"candidate_id": "ODC-762CEC", "res_at": 1788463896, "skeleton": "UNJYQCNNMVPFQL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C1COc··········cc2N1", "total": 16.664, "axes": {"activity": 8.11, "binding": 3.0, "selectivity": 0.99, "admet": 1.54, "novelty": 1.94, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 5.086, "fraction": 0.27}, "binding": {"pIC50": 5.61, "LE": 0.22, "potency_term": 0.205, "efficiency_cap": 0.733}, "selectivity": {"fold": 3.0, "selectivity_term": 0.242, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.504}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 5.086424829465305, "aff_pf": 0.3859046846628189, "aff_hs": 0.869768222173055, "repeats_pf": {"runs": 3, "values": [0.5215, 0.2214, 0.4148], "mean": 0.3859, "spread": 0.3}, "repeats_hs": {"runs": 3, "values": [0.8823, 0.9232, 0.8039], "mean": 0.8698, "spread": 0.1193}, "at": 1788463896}, "tier": 1, "alerts": [], "total_sd": 0.644, "total_ci95": [15.574, 18.168], "relegate_reason": [], "submitted_at": 1788394275, "scored_at": 1788463896, "rank": 5292}, {"candidate_id": "ODC-DB09A3", "res_at": 1787121255, "skeleton": "FRCRMRYOSRRBKS", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Clc1cc(··········nc2n1", "total": 16.638, "axes": {"activity": 10.86, "binding": 0.37, "selectivity": 0.0, "admet": 1.25, "novelty": 2.58, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 4.5, "LE": 0.193, "potency_term": 0.029, "efficiency_cap": 0.642}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.23, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.512, "ld50-zhu": 0.129, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.251517806506241, "aff_pf": 1.4999789396921794, "aff_hs": 1.4592030048370361, "repeats_pf": {"runs": 3, "values": [1.4494, 1.4201, 1.6305], "mean": 1.5, "spread": 0.2105}, "repeats_hs": {"runs": 3, "values": [1.4443, 1.3505, 1.5829], "mean": 1.4592, "spread": 0.2324}, "at": 1787121255}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102499, "scored_at": 1787121255, "alerts": [], "rank": 5293}, {"candidate_id": "ODC-249230", "res_at": 1786941736, "skeleton": "UYBZEKDHUMEGQR", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(=O··········cnc21", "total": 16.63, "axes": {"activity": 8.39, "binding": 2.79, "selectivity": 0.03, "admet": 2.17, "novelty": 2.09, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.103, "fraction": 0.28}, "binding": {"pIC50": 5.45, "LE": 0.277, "potency_term": 0.151, "efficiency_cap": 0.922}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.151}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 0.953, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.891, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.635, "herg": 0.05, "dili": 0.264}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 5.103253489718541, "aff_pf": 0.5460570255915324, "aff_hs": 0.563913901646932, "repeats_pf": {"runs": 3, "values": [0.5596, 0.5075, 0.5711], "mean": 0.5461, "spread": 0.0637}, "repeats_hs": {"runs": 3, "values": [0.6099, 0.5156, 0.5662], "mean": 0.5639, "spread": 0.0943}, "at": 1786941736}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933350, "scored_at": 1786941736, "alerts": [], "rank": 5294}, {"candidate_id": "ODC-FBDF52", "res_at": 1787024855, "skeleton": "UUMWZRHNSOSIPX", "hf_user": "araai", "display_name": "aiara", "model_name": "Ara-β", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 16.629, "axes": {"activity": 9.78, "binding": 1.04, "selectivity": 0.0, "admet": 2.08, "novelty": 2.13, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 5.18, "LE": 0.263, "potency_term": 0.059, "efficiency_cap": 0.876}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.059}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "2", "pAct_q10": 5.186881406428226, "aff_pf": 0.8217581510543823, "aff_hs": -0.1810972640911738, "repeats_pf": {"runs": 3, "values": [0.7586, 0.7308, 0.9759], "mean": 0.8218, "spread": 0.2451}, "repeats_hs": {"runs": 3, "values": [-0.2558, -0.0986, -0.1889], "mean": -0.1811, "spread": 0.1572}, "at": 1787024855}, "tier": 1, "relegate_reason": [], "submitted_at": 1787024114, "scored_at": 1787024855, "alerts": [], "rank": 5295}, {"candidate_id": "ODC-068A61", "res_at": 1787134155, "skeleton": "COAUKJSRMIPVMN", "hf_user": "epicsaga", "display_name": "PFD4-05", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········ccc12", "total": 16.619, "axes": {"activity": 10.62, "binding": 0.09, "selectivity": 0.0, "admet": 2.09, "novelty": 2.05, "synthesis": 1.77}, "detail": {"activity": {"pAct_q10": 5.237, "fraction": 0.354}, "binding": {"pIC50": 5.02, "LE": 0.229, "potency_term": 0.006, "efficiency_cap": 0.764}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.006}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.952, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 5.237489534625634, "aff_pf": 0.9822380344072977, "aff_hs": 0.5943873127301534, "repeats_pf": {"runs": 3, "values": [0.8107, 1.0616, 1.0744], "mean": 0.9822, "spread": 0.2637}, "repeats_hs": {"runs": 3, "values": [0.6818, 0.6378, 0.4635], "mean": 0.5944, "spread": 0.2183}, "at": 1787134155}, "tier": 1, "relegate_reason": [], "submitted_at": 1787127001, "scored_at": 1787134155, "alerts": [], "rank": 5296}, {"candidate_id": "ODC-691EB6", "res_at": 1787575790, "skeleton": "SEVGCFCSUNUCEV", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 16.608, "axes": {"activity": 9.05, "binding": 2.62, "selectivity": 0.0, "admet": 2.2, "novelty": 1.35, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.302}, "binding": {"pIC50": 5.39, "LE": 0.308, "potency_term": 0.131, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.131}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.928, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.682, "cyp3a4-substrate-carbonmangels": 0.063, "ld50-zhu": 0.477, "herg": 0.547, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.143254451425111, "aff_pf": 0.6071731646855673, "aff_hs": 0.5518257319927216, "repeats_pf": {"runs": 3, "values": [0.5439, 0.6616, 0.616], "mean": 0.6072, "spread": 0.1177}, "repeats_hs": {"runs": 3, "values": [0.4832, 0.5692, 0.603], "mean": 0.5518, "spread": 0.1197}, "at": 1787575790}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575020, "scored_at": 1787575790, "alerts": [], "rank": 5297}, {"candidate_id": "ODC-3C622A", "res_at": 1787029850, "skeleton": "OLDUJHGUYREYQC", "hf_user": "epicsaga", "display_name": "PFD-02", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········2)c1F", "total": 16.571, "axes": {"activity": 0.44, "binding": 8.07, "selectivity": 0.0, "admet": 3.24, "novelty": 2.89, "synthesis": 1.93}, "detail": {"activity": {"pAct_q10": 4.626, "fraction": 0.015}, "binding": {"pIC50": 6.21, "LE": 0.405, "potency_term": 0.404, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.404}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.627, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 4.626462354207505, "aff_pf": -0.21067182223002115, "aff_hs": -0.33246413866678876, "repeats_pf": {"runs": 3, "values": [-0.1466, -0.3216, -0.1638], "mean": -0.2107, "spread": 0.175}, "repeats_hs": {"runs": 3, "values": [-0.359, -0.2525, -0.3858], "mean": -0.3325, "spread": 0.1333}, "at": 1787029850}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029596, "scored_at": 1787029850, "alerts": [], "rank": 5298}, {"candidate_id": "ODC-29175E", "res_at": 1789918612, "skeleton": "ABPMWZMZJZEJLA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 16.559, "axes": {"activity": 9.04, "binding": 3.16, "selectivity": 0.0, "admet": 1.24, "novelty": 1.61, "synthesis": 1.51}, "detail": {"activity": {"pAct_q10": 5.143, "fraction": 0.301}, "binding": {"pIC50": 5.66, "LE": 0.215, "potency_term": 0.22, "efficiency_cap": 0.718}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.097, "ld50-zhu": 0.537, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "2", "pAct_q10": 5.142592864733025, "aff_pf": 0.3391597370306651, "aff_hs": -0.11421323815981548, "repeats_pf": {"runs": 3, "values": [0.2561, 0.2269, 0.5344], "mean": 0.3392, "spread": 0.3075}, "repeats_hs": {"runs": 3, "values": [-0.354, 0.2956, -0.2843], "mean": -0.1142, "spread": 0.6496}, "at": 1789918612}, "tier": 1, "alerts": [], "total_sd": 0.447, "total_ci95": [15.548, 17.17], "relegate_reason": [], "submitted_at": 1789907264, "scored_at": 1789918612, "rank": 5299}, {"candidate_id": "ODC-27E858", "res_at": 1788817477, "skeleton": "QNATWKNURDGXMR", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········nc2n1", "total": 16.496, "axes": {"activity": 8.41, "binding": 3.52, "selectivity": 0.0, "admet": 1.66, "novelty": 1.55, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.104, "fraction": 0.28}, "binding": {"pIC50": 5.58, "LE": 0.273, "potency_term": 0.194, "efficiency_cap": 0.91}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.194}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.46, "cyp2c9-veith": 0.3, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.567, "herg": 0.05, "dili": 0.243}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.104398626018331, "aff_pf": 0.41914279262224835, "aff_hs": -0.044500348468621574, "repeats_pf": {"runs": 3, "values": [0.6027, 0.1781, 0.4766], "mean": 0.4191, "spread": 0.4246}, "repeats_hs": {"runs": 3, "values": [-0.0729, 0.0951, -0.1557], "mean": -0.0445, "spread": 0.2508}, "at": 1788817477}, "tier": 1, "alerts": [], "total_sd": 0.728, "total_ci95": [15.303, 18.175], "relegate_reason": [], "submitted_at": 1788738322, "scored_at": 1788817477, "rank": 5300}, {"candidate_id": "ODC-B39313", "res_at": 1786975517, "skeleton": "HBUZELYOURQPOA", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCNCCC··········cccc1", "total": 16.492, "axes": {"activity": 9.47, "binding": 0.15, "selectivity": 0.0, "admet": 3.23, "novelty": 2.09, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 5.168, "fraction": 0.316}, "binding": {"pIC50": 4.04, "LE": 0.241, "potency_term": 0.009, "efficiency_cap": 0.803}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.681, "per_endpoint": {"solubility-aqsoldb": 0.769, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 0.971, "pgp-broccatelli": 0.981, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.445, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.168187931057854, "aff_pf": 1.955234130223592, "aff_hs": 2.156536102294922, "repeats_pf": {"runs": 3, "values": [1.899, 1.9945, 1.9722], "mean": 1.9552, "spread": 0.0955}, "repeats_hs": {"runs": 3, "values": [2.0988, 2.1816, 2.1893], "mean": 2.1565, "spread": 0.0905}, "at": 1786975517}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975323, "scored_at": 1786975517, "alerts": [], "rank": 5301}, {"candidate_id": "ODC-CA2E51", "res_at": 1786765874, "skeleton": "CSDAJVWIISHHKT", "hf_user": "1Dmeds", "display_name": "1Dmeds-PfDHODH-01", "model_name": "OpenAI GPT-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 16.49, "axes": {"activity": 8.71, "binding": 2.6, "selectivity": 0.43, "admet": 2.61, "novelty": 0.79, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.122, "fraction": 0.29}, "binding": {"pIC50": 5.39, "LE": 0.352, "potency_term": 0.13, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.166, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.6, "per_endpoint": {"solubility-aqsoldb": 0.624, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.71, "cyp3a4-substrate-carbonmangels": 0.293, "ld50-zhu": 0.41, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.122471782587015, "aff_pf": 0.6095913648605347, "aff_hs": 0.9409419298171997, "at": 1786765874}, "tier": 1, "relegate_reason": [], "submitted_at": 1786765720, "scored_at": 1786765874, "alerts": [], "rank": 5302}, {"candidate_id": "ODC-6E0764", "res_at": 1787946868, "skeleton": "BOCQPAPNUJONHA", "hf_user": "Bio-JS", "display_name": "B5 [대조] 피롤로트라이아진 x DSM 4-CF3", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········nn2c1", "total": 16.475, "axes": {"activity": 3.58, "binding": 6.55, "selectivity": 0.08, "admet": 2.63, "novelty": 2.06, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 4.815, "fraction": 0.119}, "binding": {"pIC50": 5.98, "LE": 0.372, "potency_term": 0.327, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.012, "target_engagement": 0.327}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.443, "herg": 0.773, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.814781893351582, "aff_pf": 0.01824869712193807, "aff_hs": 0.04169787963231405, "repeats_pf": {"runs": 3, "values": [0.0351, 0.0598, -0.0402], "mean": 0.0182, "spread": 0.1}, "repeats_hs": {"runs": 3, "values": [0.0533, 0.0322, 0.0397], "mean": 0.0417, "spread": 0.0211}, "at": 1787946868}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945059, "scored_at": 1787946868, "alerts": [], "rank": 5303}, {"candidate_id": "ODC-E9DADD", "res_at": 1786975429, "skeleton": "HOLDSEHLSFXOKB", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 16.464, "axes": {"activity": 2.58, "binding": 6.89, "selectivity": 1.36, "admet": 2.52, "novelty": 1.39, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 4.755, "fraction": 0.086}, "binding": {"pIC50": 6.03, "LE": 0.359, "potency_term": 0.345, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.198, "target_engagement": 0.345}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.602, "cyp3a4-substrate-carbonmangels": 0.315, "ld50-zhu": 0.45, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "2", "pAct_q10": 4.754794353165912, "aff_pf": -0.03357663874824842, "aff_hs": 0.362387478351593, "repeats_pf": {"runs": 3, "values": [-0.0705, -0.0229, -0.0073], "mean": -0.0336, "spread": 0.0633}, "repeats_hs": {"runs": 3, "values": [0.3865, 0.3454, 0.3553], "mean": 0.3624, "spread": 0.0411}, "at": 1786975429}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975251, "scored_at": 1786975429, "alerts": [], "rank": 5304}, {"candidate_id": "ODC-7E206A", "res_at": 1787069696, "skeleton": "XKHARNBJOHLQLW", "hf_user": "snsapple", "display_name": "snsapple", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cn1", "total": 16.461, "axes": {"activity": 10.1, "binding": 0.43, "selectivity": 0.0, "admet": 2.34, "novelty": 2.0, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 5.206, "fraction": 0.337}, "binding": {"pIC50": 4.47, "LE": 0.245, "potency_term": 0.026, "efficiency_cap": 0.816}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.57, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.32, "herg": 0.05, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.2062894144845036, "aff_pf": 1.533449411392212, "aff_hs": 0.8799887498219808, "repeats_pf": {"runs": 3, "values": [1.5372, 1.5219, 1.5413], "mean": 1.5334, "spread": 0.0194}, "repeats_hs": {"runs": 3, "values": [0.8671, 0.9122, 0.8606], "mean": 0.88, "spread": 0.0516}, "at": 1787069696}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064995, "scored_at": 1787069696, "alerts": [], "rank": 5305}, {"candidate_id": "ODC-004588", "res_at": 1789553044, "skeleton": "OFTNFIINGJSGPA", "hf_user": "Bio-JS", "display_name": "0916-S1-div20", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Br", "total": 16.46, "axes": {"activity": 9.62, "binding": 0.64, "selectivity": 0.04, "admet": 2.65, "novelty": 2.05, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.177, "fraction": 0.321}, "binding": {"pIC50": 5.1, "LE": 0.317, "potency_term": 0.032, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.032}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.907, "cyp3a4-substrate-carbonmangels": 0.654, "ld50-zhu": 0.398, "herg": 0.375, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 5.177169147017463, "aff_pf": 0.9036258061726888, "aff_hs": 1.0168712536493938, "repeats_pf": {"runs": 3, "values": [0.8954, 0.8945, 0.921], "mean": 0.9036, "spread": 0.0265}, "repeats_hs": {"runs": 3, "values": [1.0256, 1.0027, 1.0224], "mean": 1.0169, "spread": 0.0229}, "at": 1789553044}, "tier": 1, "alerts": [], "total_sd": 0.052, "total_ci95": [16.335, 16.528], "relegate_reason": [], "submitted_at": 1789526890, "scored_at": 1789553044, "rank": 5306}, {"candidate_id": "ODC-22D3E3", "res_at": 1787590146, "skeleton": "KIVASUUHASHSAB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)o1", "total": 16.455, "axes": {"activity": 8.33, "binding": 3.01, "selectivity": 0.0, "admet": 1.85, "novelty": 2.2, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.1, "fraction": 0.278}, "binding": {"pIC50": 5.45, "LE": 0.325, "potency_term": 0.15, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.15}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.707, "cyp2c9-veith": 0.613, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.327, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.209, "novelty": 0.791}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.099850929701731, "aff_pf": 0.5485836466153463, "aff_hs": 0.2584674507379532, "repeats_pf": {"runs": 3, "values": [0.4847, 0.5447, 0.6163], "mean": 0.5486, "spread": 0.1316}, "repeats_hs": {"runs": 3, "values": [0.1955, 0.3818, 0.1981], "mean": 0.2585, "spread": 0.1862}, "at": 1787590146}, "tier": 1, "relegate_reason": [], "submitted_at": 1787588422, "scored_at": 1787590146, "alerts": [], "rank": 5307}, {"candidate_id": "ODC-2EC8CE", "res_at": 1789073460, "skeleton": "YQGXLJVLGBMOEN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········2)cc1", "total": 16.454, "axes": {"activity": 9.85, "binding": 1.28, "selectivity": 0.22, "admet": 1.37, "novelty": 2.11, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 5.23, "LE": 0.247, "potency_term": 0.078, "efficiency_cap": 0.824}, "selectivity": {"fold": 1.9, "selectivity_term": 0.144, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.447, "cyp3a4-substrate-carbonmangels": 0.386, "ld50-zhu": 0.534, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.191086226303933, "aff_pf": 0.7662901878356934, "aff_hs": 1.0543673435846965, "repeats_pf": {"runs": 3, "values": [0.6725, 0.8444, 0.782], "mean": 0.7663, "spread": 0.1719}, "repeats_hs": {"runs": 3, "values": [1.0465, 0.9211, 1.1955], "mean": 1.0544, "spread": 0.2745}, "at": 1789073460}, "tier": 1, "alerts": [], "total_sd": 0.32, "total_ci95": [15.918, 17.24], "relegate_reason": [], "submitted_at": 1789045971, "scored_at": 1789073460, "rank": 5308}, {"candidate_id": "ODC-51471D", "res_at": 1787410894, "skeleton": "FUWQSSQLLUHRNS", "hf_user": "Ku-ku", "display_name": "E8_amide2", "model_name": "Claude-Opus", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)n2n1", "total": 16.444, "axes": {"activity": 8.72, "binding": 2.95, "selectivity": 0.21, "admet": 1.95, "novelty": 1.16, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.123, "fraction": 0.291}, "binding": {"pIC50": 5.45, "LE": 0.298, "potency_term": 0.148, "efficiency_cap": 0.995}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.148}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.427, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.69, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.706, "ld50-zhu": 0.286, "herg": 0.05, "dili": 0.148}}, "novelty": {"max_tanimoto": 0.6, "novelty": 0.4}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 5.123237136938514, "aff_pf": 0.5549984375635783, "aff_hs": 0.6961510380109152, "repeats_pf": {"runs": 3, "values": [0.5894, 0.5574, 0.5182], "mean": 0.555, "spread": 0.0712}, "repeats_hs": {"runs": 3, "values": [0.5312, 0.7486, 0.8086], "mean": 0.6962, "spread": 0.2773}, "at": 1787410894}, "tier": 1, "relegate_reason": [], "submitted_at": 1787407708, "scored_at": 1787410894, "alerts": [], "rank": 5309}, {"candidate_id": "ODC-B0925E", "res_at": 1789492813, "skeleton": "KPNJAHHEWPTQRB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········F)c1F", "total": 16.433, "axes": {"activity": 3.57, "binding": 6.31, "selectivity": 0.51, "admet": 2.13, "novelty": 2.36, "synthesis": 1.56}, "detail": {"activity": {"pAct_q10": 4.814, "fraction": 0.119}, "binding": {"pIC50": 5.95, "LE": 0.302, "potency_term": 0.315, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.081, "target_engagement": 0.315}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.476, "herg": 0.388, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 4.814219805270258, "aff_pf": 0.05357887844244639, "aff_hs": 0.21567171812057495, "repeats_pf": {"runs": 3, "values": [0.0147, 0.0759, 0.0701], "mean": 0.0536, "spread": 0.0612}, "repeats_hs": {"runs": 3, "values": [0.2831, 0.2038, 0.1601], "mean": 0.2157, "spread": 0.123}, "at": 1789492813}, "tier": 1, "alerts": [], "total_sd": 0.274, "total_ci95": [15.979, 17.041], "relegate_reason": [], "submitted_at": 1789490740, "scored_at": 1789492813, "rank": 5310}, {"candidate_id": "ODC-EAD9CF", "res_at": 1786896918, "skeleton": "PUIVRPAOPLMCLM", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)c1Cl", "total": 16.42, "axes": {"activity": 9.8, "binding": 0.77, "selectivity": 0.0, "admet": 2.13, "novelty": 2.33, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.188, "fraction": 0.327}, "binding": {"pIC50": 4.67, "LE": 0.266, "potency_term": 0.043, "efficiency_cap": 0.888}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.954, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.332, "ld50-zhu": 0.533, "herg": 0.475, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.188130719255417, "aff_pf": 1.333888053894043, "aff_hs": 0.9481366674105326, "repeats_pf": {"runs": 3, "values": [1.3179, 1.3504, 1.3334], "mean": 1.3339, "spread": 0.0326}, "repeats_hs": {"runs": 3, "values": [1.132, 0.9762, 0.7363], "mean": 0.9481, "spread": 0.3957}, "at": 1786896918}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881422, "scored_at": 1786896918, "alerts": [], "rank": 5311}, {"candidate_id": "ODC-17586B", "res_at": 1787022558, "skeleton": "YAQOIRSCQUQQFE", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········ccc1I", "total": 16.411, "axes": {"activity": 4.42, "binding": 5.37, "selectivity": 1.18, "admet": 2.42, "novelty": 1.95, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 4.865, "fraction": 0.147}, "binding": {"pIC50": 5.81, "LE": 0.419, "potency_term": 0.268, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.6, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.467, "cyp3a4-substrate-carbonmangels": 0.749, "ld50-zhu": 0.569, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 4.865429543185245, "aff_pf": 0.19454112152258554, "aff_hs": 0.635030210018158, "repeats_pf": {"runs": 3, "values": [0.1892, 0.2459, 0.1485], "mean": 0.1945, "spread": 0.0974}, "repeats_hs": {"runs": 3, "values": [0.6913, 0.6832, 0.5306], "mean": 0.635, "spread": 0.1607}, "at": 1787022558}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021446, "scored_at": 1787022558, "alerts": [], "rank": 5312}, {"candidate_id": "ODC-CE5A1C", "res_at": 1787706308, "skeleton": "IFRXVDRKFBYUKP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccc··········c1C#N", "total": 16.386, "axes": {"activity": 8.26, "binding": 3.63, "selectivity": 0.0, "admet": 1.88, "novelty": 1.34, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.096, "fraction": 0.275}, "binding": {"pIC50": 5.55, "LE": 0.33, "potency_term": 0.182, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.182}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.879, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.404, "herg": 0.477, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.515, "novelty": 0.485}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.095628700013729, "aff_pf": 0.45491722226142883, "aff_hs": 0.28400108218193054, "repeats_pf": {"runs": 3, "values": [0.4928, 0.4452, 0.4267], "mean": 0.4549, "spread": 0.0661}, "repeats_hs": {"runs": 3, "values": [0.3014, 0.279, 0.2717], "mean": 0.284, "spread": 0.0297}, "at": 1787706308}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702953, "scored_at": 1787706308, "alerts": [], "rank": 5313}, {"candidate_id": "ODC-D82ED9", "res_at": 1786963764, "skeleton": "HRMSAIOBPAEBAR", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cn1", "total": 16.386, "axes": {"activity": 8.33, "binding": 3.15, "selectivity": 0.0, "admet": 1.82, "novelty": 1.93, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.1, "fraction": 0.278}, "binding": {"pIC50": 5.47, "LE": 0.3, "potency_term": 0.157, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.808, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.894, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.471, "herg": 0.311, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 5.100088880491757, "aff_pf": 0.5277366240819296, "aff_hs": 0.438963661591212, "repeats_pf": {"runs": 3, "values": [0.5473, 0.5193, 0.5166], "mean": 0.5277, "spread": 0.0306}, "repeats_hs": {"runs": 3, "values": [0.3679, 0.4788, 0.4702], "mean": 0.439, "spread": 0.1109}, "at": 1786963764}, "tier": 1, "relegate_reason": [], "submitted_at": 1786963411, "scored_at": 1786963764, "alerts": [], "rank": 5314}, {"candidate_id": "ODC-CA5A86", "res_at": 1789093457, "skeleton": "DDRJJCSBKNHYLU", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········nc2n1", "total": 16.385, "axes": {"activity": 9.32, "binding": 1.92, "selectivity": 0.15, "admet": 2.55, "novelty": 1.47, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.159, "fraction": 0.311}, "binding": {"pIC50": 5.34, "LE": 0.252, "potency_term": 0.114, "efficiency_cap": 0.841}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.114}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.909, "ld50-zhu": 0.7, "herg": 0.132, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "0", "pAct_q10": 5.1591533615682925, "aff_pf": 0.6579726735750834, "aff_hs": 0.7860979040463766, "repeats_pf": {"runs": 3, "values": [0.5251, 0.5563, 0.8926], "mean": 0.658, "spread": 0.3675}, "repeats_hs": {"runs": 3, "values": [0.8325, 0.7165, 0.8093], "mean": 0.7861, "spread": 0.116}, "at": 1789093457}, "tier": 1, "alerts": [], "total_sd": 0.704, "total_ci95": [14.896, 17.463], "relegate_reason": [], "submitted_at": 1789088834, "scored_at": 1789093457, "rank": 5315}, {"candidate_id": "ODC-5747E3", "res_at": 1788863406, "skeleton": "VJRGTLPQGFTSQM", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-28", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········sc2n1", "total": 16.369, "axes": {"activity": 8.19, "binding": 3.08, "selectivity": 0.0, "admet": 1.96, "novelty": 1.78, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.091, "fraction": 0.273}, "binding": {"pIC50": 5.46, "LE": 0.325, "potency_term": 0.154, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.154}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.732, "herg": 0.585, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 5.0912389220415255, "aff_pf": 0.5372824867566427, "aff_hs": 0.08681868513425191, "repeats_pf": {"runs": 3, "values": [0.6131, 0.6036, 0.3952], "mean": 0.5373, "spread": 0.2179}, "repeats_hs": {"runs": 3, "values": [0.0483, 0.1199, 0.0923], "mean": 0.0868, "spread": 0.0716}, "at": 1788863406}, "tier": 1, "alerts": [], "total_sd": 0.379, "total_ci95": [15.885, 17.316], "relegate_reason": [], "submitted_at": 1788856741, "scored_at": 1788863406, "rank": 5316}, {"candidate_id": "ODC-D96387", "res_at": 1788784716, "skeleton": "ROMNDFULNXFWAE", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Hermes Agent + RDKit MPO Pipeline", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NS(··········cc2c1", "total": 16.35, "axes": {"activity": 6.57, "binding": 4.59, "selectivity": 1.13, "admet": 1.5, "novelty": 1.46, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.994, "fraction": 0.219}, "binding": {"pIC50": 5.71, "LE": 0.29, "potency_term": 0.238, "efficiency_cap": 0.966}, "selectivity": {"fold": 3.0, "selectivity_term": 0.237, "target_engagement": 0.238}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.507, "herg": 0.143, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 4.994356384074707, "aff_pf": 0.2869705557823181, "aff_hs": 0.7619267304738363, "repeats_pf": {"runs": 3, "values": [0.1737, 0.3659, 0.3213], "mean": 0.287, "spread": 0.1922}, "repeats_hs": {"runs": 3, "values": [0.6525, 0.765, 0.8683], "mean": 0.7619, "spread": 0.2158}, "at": 1788784716}, "tier": 1, "alerts": [], "total_sd": 0.721, "total_ci95": [15.313, 17.597], "relegate_reason": [], "submitted_at": 1788705694, "scored_at": 1788784716, "rank": 5317}, {"candidate_id": "ODC-F047EA", "res_at": 1787352781, "skeleton": "LMHOUEINTPFTAN", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCCNC··········CCCC1", "total": 16.337, "axes": {"activity": 10.89, "binding": 0.28, "selectivity": 0.0, "admet": 1.74, "novelty": 2.02, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.254, "fraction": 0.363}, "binding": {"pIC50": 5.06, "LE": 0.217, "potency_term": 0.019, "efficiency_cap": 0.722}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 0.672, "pgp-broccatelli": 0.05, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.136, "ld50-zhu": 0.436, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 5.253542749872442, "aff_pf": 0.9415570100148519, "aff_hs": 0.9208792448043823, "repeats_pf": {"runs": 3, "values": [0.965, 0.9233, 0.9363], "mean": 0.9416, "spread": 0.0417}, "repeats_hs": {"runs": 3, "values": [0.917, 0.9352, 0.9104], "mean": 0.9209, "spread": 0.0248}, "at": 1787352781}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347752, "scored_at": 1787352781, "alerts": [], "rank": 5318}, {"candidate_id": "ODC-8109C7", "res_at": 1787146625, "skeleton": "AZBQXSPCLAZPEP", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 16.333, "axes": {"activity": 3.16, "binding": 6.59, "selectivity": 0.0, "admet": 2.84, "novelty": 2.09, "synthesis": 1.65}, "detail": {"activity": {"pAct_q10": 4.79, "fraction": 0.105}, "binding": {"pIC50": 5.99, "LE": 0.373, "potency_term": 0.33, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.33}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.999, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.81, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.846, "ld50-zhu": 0.507, "herg": 0.456, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.789596222115203, "aff_pf": 0.011041964093844095, "aff_hs": -0.0724297712246577, "repeats_pf": {"runs": 3, "values": [0.1722, -0.039, -0.1001], "mean": 0.011, "spread": 0.2724}, "repeats_hs": {"runs": 3, "values": [-0.0789, -0.0799, -0.0585], "mean": -0.0724, "spread": 0.0215}, "at": 1787146625}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143249, "scored_at": 1787146625, "alerts": [], "rank": 5319}, {"candidate_id": "ODC-E8030A", "res_at": 1788509570, "skeleton": "FDKHCOARYMEWFU", "hf_user": "dlghkdueo", "display_name": "R6-F0", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)c1Cl", "total": 16.322, "axes": {"activity": 1.65, "binding": 6.43, "selectivity": 2.55, "admet": 2.03, "novelty": 2.06, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 4.699, "fraction": 0.055}, "binding": {"pIC50": 5.96, "LE": 0.389, "potency_term": 0.321, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.2, "selectivity_term": 0.397, "target_engagement": 0.321}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.567, "ld50-zhu": 0.35, "herg": 0.75, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 4.699120979329567, "aff_pf": 0.03617144624392191, "aff_hs": 0.8305004437764486, "repeats_pf": {"runs": 3, "values": [-0.0345, 0.1086, 0.0344], "mean": 0.0362, "spread": 0.1431}, "repeats_hs": {"runs": 3, "values": [0.8916, 0.723, 0.8769], "mean": 0.8305, "spread": 0.1686}, "at": 1788509570}, "tier": 1, "alerts": [], "total_sd": 0.659, "total_ci95": [15.004, 17.624], "relegate_reason": [], "submitted_at": 1788448314, "scored_at": 1788509570, "rank": 5320}, {"candidate_id": "ODC-C57E9D", "res_at": 1786916191, "skeleton": "NRYSPDBEFUTBOQ", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········COCC1", "total": 16.316, "axes": {"activity": 4.69, "binding": 5.91, "selectivity": 0.0, "admet": 2.22, "novelty": 2.18, "synthesis": 1.31}, "detail": {"activity": {"pAct_q10": 4.882, "fraction": 0.156}, "binding": {"pIC50": 5.89, "LE": 0.299, "potency_term": 0.297, "efficiency_cap": 0.996}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.297}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.365, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.72, "ld50-zhu": 0.686, "herg": 0.05, "dili": 0.445}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.738}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 4.881581523229984, "aff_pf": 0.1095241407553355, "aff_hs": -0.4274829924106598, "repeats_pf": {"runs": 3, "values": [0.1344, 0.1268, 0.0674], "mean": 0.1095, "spread": 0.067}, "repeats_hs": {"runs": 3, "values": [-0.4604, -0.4249, -0.3972], "mean": -0.4275, "spread": 0.0632}, "at": 1786916191}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915534, "scored_at": 1786916191, "alerts": [], "rank": 5321}, {"candidate_id": "ODC-8815F8", "res_at": 1786890702, "skeleton": "IPNSWYATEFMSIK", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 16.292, "axes": {"activity": 6.15, "binding": 5.27, "selectivity": 0.0, "admet": 1.81, "novelty": 1.84, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 4.969, "fraction": 0.205}, "binding": {"pIC50": 5.79, "LE": 0.331, "potency_term": 0.264, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.456, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.059, "cyp3a4-substrate-carbonmangels": 0.464, "ld50-zhu": 0.727, "herg": 0.421, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 4.968976970159658, "aff_pf": 0.20882258812586466, "aff_hs": 0.08374336610237758, "repeats_pf": {"runs": 3, "values": [0.1806, 0.2717, 0.1741], "mean": 0.2088, "spread": 0.0976}, "repeats_hs": {"runs": 3, "values": [0.0835, 0.1136, 0.0541], "mean": 0.0837, "spread": 0.0595}, "at": 1786890702}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877308, "scored_at": 1786890702, "alerts": [], "rank": 5322}, {"candidate_id": "ODC-C597B7", "res_at": 1787918839, "skeleton": "HFGJUVFOMDTUHQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········(F)C1", "total": 16.288, "axes": {"activity": 9.72, "binding": 1.09, "selectivity": 0.0, "admet": 2.43, "novelty": 1.83, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 4.81, "LE": 0.264, "potency_term": 0.062, "efficiency_cap": 0.879}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.812, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.445, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.473}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 5.183443002805813, "aff_pf": 1.190396825472514, "aff_hs": 1.1965598662694295, "repeats_pf": {"runs": 3, "values": [1.1317, 1.1522, 1.2872], "mean": 1.1904, "spread": 0.1555}, "repeats_hs": {"runs": 3, "values": [1.2836, 1.0653, 1.2408], "mean": 1.1966, "spread": 0.2183}, "at": 1787918839}, "tier": 1, "relegate_reason": [], "submitted_at": 1787906942, "scored_at": 1787918839, "alerts": [], "rank": 5323}, {"candidate_id": "ODC-825186", "res_at": 1788866166, "skeleton": "UEXWPHFIFMXWDD", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-10", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cnc2··········3)n12", "total": 16.288, "axes": {"activity": 4.79, "binding": 5.24, "selectivity": 1.37, "admet": 2.09, "novelty": 1.69, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 4.887, "fraction": 0.16}, "binding": {"pIC50": 5.79, "LE": 0.36, "potency_term": 0.262, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.262, "target_engagement": 0.262}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.089, "ld50-zhu": 0.403, "herg": 0.953, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 4.8871758696258425, "aff_pf": 0.21344039340813956, "aff_hs": 0.7371202309926351, "repeats_pf": {"runs": 3, "values": [0.0011, 0.6233, 0.0159], "mean": 0.2134, "spread": 0.6222}, "repeats_hs": {"runs": 3, "values": [0.7453, 0.8007, 0.6653], "mean": 0.7371, "spread": 0.1354}, "at": 1788866166}, "tier": 1, "alerts": [], "total_sd": 2.743, "total_ci95": [10.447, 20.189], "relegate_reason": [], "submitted_at": 1788856887, "scored_at": 1788866166, "rank": 5324}, {"candidate_id": "ODC-B7C10E", "res_at": 1787129239, "skeleton": "CBLYKFAXYPJFEQ", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1c(C··········)c1=O", "total": 16.282, "axes": {"activity": 8.91, "binding": 1.37, "selectivity": 0.13, "admet": 2.85, "novelty": 2.38, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 5.135, "fraction": 0.297}, "binding": {"pIC50": 5.21, "LE": 0.297, "potency_term": 0.069, "efficiency_cap": 0.991}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.069}, "admet": {"geometric_mean": 0.641, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.972, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.143, "ld50-zhu": 0.749, "herg": 0.115, "dili": 0.692}}, "novelty": {"max_tanimoto": 0.198, "novelty": 0.802}, "synthesis": {"sa_score": 4.51}}, "run": {"gpu": "3", "pAct_q10": 5.1345864560947, "aff_pf": 0.7921439210573832, "aff_hs": 0.9785498778025309, "repeats_pf": {"runs": 3, "values": [0.8163, 0.8277, 0.7324], "mean": 0.7921, "spread": 0.0953}, "repeats_hs": {"runs": 3, "values": [1.029, 1.0797, 0.8269], "mean": 0.9785, "spread": 0.2528}, "at": 1787129239}, "tier": 1, "relegate_reason": [], "submitted_at": 1787117128, "scored_at": 1787129239, "alerts": [], "rank": 5325}, {"candidate_id": "ODC-7004F5", "res_at": 1789928840, "skeleton": "HBUGDEWDIHHSDE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCC(··········2)CC1", "total": 16.273, "axes": {"activity": 10.18, "binding": 1.0, "selectivity": 0.0, "admet": 2.2, "novelty": 1.2, "synthesis": 1.7}, "detail": {"activity": {"pAct_q10": 5.211, "fraction": 0.339}, "binding": {"pIC50": 4.79, "LE": 0.253, "potency_term": 0.059, "efficiency_cap": 0.842}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.098, "cyp2c9-veith": 0.69, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.352, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.646, "novelty": 0.354}, "synthesis": {"sa_score": 2.11}}, "run": {"gpu": "0", "pAct_q10": 5.21062868689718, "aff_pf": 1.2079747517903645, "aff_hs": 1.5763368209203084, "repeats_pf": {"runs": 3, "values": [1.1309, 1.2782, 1.2148], "mean": 1.208, "spread": 0.1473}, "repeats_hs": {"runs": 3, "values": [1.7435, 1.5306, 1.4548], "mean": 1.5763, "spread": 0.2887}, "at": 1789928840}, "tier": 1, "alerts": [], "total_sd": 0.1, "total_ci95": [16.149, 16.506], "relegate_reason": [], "submitted_at": 1789778643, "scored_at": 1789928840, "rank": 5326}, {"candidate_id": "ODC-C98B0D", "res_at": 1788460797, "skeleton": "BINQRKBZDCSMSE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CCc··········)n1-2", "total": 16.272, "axes": {"activity": 7.96, "binding": 4.19, "selectivity": 0.0, "admet": 0.98, "novelty": 2.04, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 5.91, "LE": 0.208, "potency_term": 0.303, "efficiency_cap": 0.692}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.303}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.505, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.216, "ld50-zhu": 0.912, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.231, "novelty": 0.769}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 5.077352020826931, "aff_pf": 0.09069763620694478, "aff_hs": -0.5087573627630869, "repeats_pf": {"runs": 3, "values": [0.0416, 0.0557, 0.1748], "mean": 0.0907, "spread": 0.1332}, "repeats_hs": {"runs": 3, "values": [-0.5367, -0.4901, -0.4994], "mean": -0.5088, "spread": 0.0466}, "at": 1788460797}, "tier": 1, "alerts": [], "total_sd": 0.186, "total_ci95": [15.83, 16.535], "relegate_reason": [], "submitted_at": 1788394231, "scored_at": 1788460797, "rank": 5327}, {"candidate_id": "ODC-0C28F8", "res_at": 1789874962, "skeleton": "MLVCYWFDDRYTKY", "hf_user": "Bio-JS", "display_name": "0917-S1-div09", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 16.268, "axes": {"activity": 9.42, "binding": 1.05, "selectivity": 0.0, "admet": 2.78, "novelty": 1.57, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.165, "fraction": 0.314}, "binding": {"pIC50": 4.77, "LE": 0.284, "potency_term": 0.056, "efficiency_cap": 0.946}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.319, "herg": 0.734, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.164963245801033, "aff_pf": 1.2339509725570679, "aff_hs": 1.0786723295847576, "repeats_pf": {"runs": 3, "values": [1.2398, 1.2468, 1.2153], "mean": 1.234, "spread": 0.0315}, "repeats_hs": {"runs": 3, "values": [1.0838, 1.0413, 1.111], "mean": 1.0787, "spread": 0.0697}, "at": 1789874962}, "tier": 1, "alerts": [], "total_sd": 0.021, "total_ci95": [16.232, 16.299], "relegate_reason": [], "submitted_at": 1789628580, "scored_at": 1789874962, "rank": 5328}, {"candidate_id": "ODC-B3AA0D", "res_at": 1788804189, "skeleton": "IUHZCTVGSIJLQK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········nc2n1", "total": 16.264, "axes": {"activity": 7.81, "binding": 4.11, "selectivity": 0.43, "admet": 1.2, "novelty": 1.47, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.068, "fraction": 0.26}, "binding": {"pIC50": 5.67, "LE": 0.277, "potency_term": 0.222, "efficiency_cap": 0.924}, "selectivity": {"fold": 1.6, "selectivity_term": 0.098, "target_engagement": 0.222}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.505, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.141, "cyp2c9-veith": 0.114, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.524, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 5.068355964495623, "aff_pf": 0.33354707558949787, "aff_hs": 0.5289974311987559, "repeats_pf": {"runs": 3, "values": [0.0593, 0.4255, 0.5159], "mean": 0.3335, "spread": 0.4566}, "repeats_hs": {"runs": 3, "values": [0.5345, 0.6128, 0.4396], "mean": 0.529, "spread": 0.1732}, "at": 1788804189}, "tier": 1, "alerts": [], "total_sd": 1.195, "total_ci95": [14.806, 19.929], "relegate_reason": [], "submitted_at": 1788735375, "scored_at": 1788804189, "rank": 5329}, {"candidate_id": "ODC-E332F5", "res_at": 1786979866, "skeleton": "MLBBGLHXLJCBQJ", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········cccc1", "total": 16.26, "axes": {"activity": 9.49, "binding": 0.29, "selectivity": 0.0, "admet": 3.14, "novelty": 1.87, "synthesis": 1.47}, "detail": {"activity": {"pAct_q10": 5.169, "fraction": 0.316}, "binding": {"pIC50": 4.29, "LE": 0.255, "potency_term": 0.017, "efficiency_cap": 0.852}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.661, "per_endpoint": {"solubility-aqsoldb": 0.743, "caco2-wang": 0.768, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.352, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 5.1694203996733785, "aff_pf": 1.7106215159098308, "aff_hs": 1.5493615865707397, "repeats_pf": {"runs": 3, "values": [1.807, 1.7203, 1.6045], "mean": 1.7106, "spread": 0.2025}, "repeats_hs": {"runs": 3, "values": [1.5335, 1.538, 1.5765], "mean": 1.5494, "spread": 0.043}, "at": 1786979866}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977261, "scored_at": 1786979866, "alerts": [], "rank": 5330}, {"candidate_id": "ODC-CD08E8", "res_at": 1786950515, "skeleton": "YTQPIPPJHVDNRK", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········(F)c1", "total": 16.251, "axes": {"activity": 8.04, "binding": 3.11, "selectivity": 0.0, "admet": 1.97, "novelty": 1.89, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.083, "fraction": 0.268}, "binding": {"pIC50": 5.47, "LE": 0.312, "potency_term": 0.156, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.613, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.325, "herg": 0.529, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 5.082539918298281, "aff_pf": 0.5332989195982615, "aff_hs": 0.49580026666323346, "repeats_pf": {"runs": 3, "values": [0.636, 0.5572, 0.4067], "mean": 0.5333, "spread": 0.2293}, "repeats_hs": {"runs": 3, "values": [0.6489, 0.4802, 0.3583], "mean": 0.4958, "spread": 0.2906}, "at": 1786950515}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942867, "scored_at": 1786950515, "alerts": [], "rank": 5331}, {"candidate_id": "ODC-0E3277", "res_at": 1787024584, "skeleton": "GAINLZMMFZUJEG", "hf_user": "takutoyo", "display_name": "PfD5-B3", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········O)CC1", "total": 16.226, "axes": {"activity": 8.87, "binding": 1.73, "selectivity": 0.62, "admet": 1.55, "novelty": 2.0, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.132, "fraction": 0.296}, "binding": {"pIC50": 5.32, "LE": 0.243, "potency_term": 0.107, "efficiency_cap": 0.81}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.528, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.431, "herg": 0.05, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.1319205935123655, "aff_pf": 0.6792471408843994, "aff_hs": 1.2596241235733032, "repeats_pf": {"runs": 3, "values": [0.6638, 0.4472, 0.9267], "mean": 0.6792, "spread": 0.4795}, "repeats_hs": {"runs": 3, "values": [1.2214, 1.2944, 1.2631], "mean": 1.2596, "spread": 0.073}, "at": 1787024584}, "tier": 1, "relegate_reason": [], "submitted_at": 1787023102, "scored_at": 1787024584, "alerts": [], "rank": 5332}, {"candidate_id": "ODC-730D77", "res_at": 1788832386, "skeleton": "POIDLLFLGQJMST", "hf_user": "daehan1123", "display_name": "Anthropic Claude", "model_name": "Anthropic Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC1(F)C··········2)cc1", "total": 16.222, "axes": {"activity": 7.47, "binding": 3.7, "selectivity": 0.17, "admet": 2.04, "novelty": 1.83, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 5.048, "fraction": 0.249}, "binding": {"pIC50": 5.56, "LE": 0.304, "potency_term": 0.185, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.185}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.828, "cyp2c9-veith": 0.662, "cyp3a4-substrate-carbonmangels": 0.246, "ld50-zhu": 0.785, "herg": 0.687, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 5.048018022736028, "aff_pf": 0.44461862246195477, "aff_hs": 0.5376432339350382, "repeats_pf": {"runs": 3, "values": [0.4634, 0.4192, 0.4512], "mean": 0.4446, "spread": 0.0442}, "repeats_hs": {"runs": 3, "values": [0.5718, 0.5357, 0.5055], "mean": 0.5376, "spread": 0.0663}, "at": 1788832386}, "tier": 1, "alerts": [], "total_sd": 0.11, "total_ci95": [16.057, 16.471], "relegate_reason": [], "submitted_at": 1788829849, "scored_at": 1788832386, "rank": 5333}, {"candidate_id": "ODC-F1919F", "res_at": 1788789577, "skeleton": "GEMYYYDLHKEYCW", "hf_user": "Bio-JS", "display_name": "0907-S1-08", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 16.216, "axes": {"activity": 8.46, "binding": 3.28, "selectivity": 0.21, "admet": 1.39, "novelty": 1.46, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.108, "fraction": 0.282}, "binding": {"pIC50": 5.61, "LE": 0.24, "potency_term": 0.205, "efficiency_cap": 0.801}, "selectivity": {"fold": 1.3, "selectivity_term": 0.052, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.129, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.902, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.481, "novelty": 0.519}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "0", "pAct_q10": 5.1076543219808155, "aff_pf": 0.38631872336069745, "aff_hs": 0.4894276062647502, "repeats_pf": {"runs": 3, "values": [0.5024, 0.399, 0.2576], "mean": 0.3863, "spread": 0.2448}, "repeats_hs": {"runs": 3, "values": [0.357, 0.6078, 0.5034], "mean": 0.4894, "spread": 0.2508}, "at": 1788789577}, "tier": 1, "alerts": [], "total_sd": 0.473, "total_ci95": [15.447, 17.236], "relegate_reason": [], "submitted_at": 1788707686, "scored_at": 1788789577, "rank": 5334}, {"candidate_id": "ODC-C05887", "res_at": 1786959675, "skeleton": "XYNWWNSIHQWYCV", "hf_user": "PhD-Shin", "display_name": "PhD-Shin B2", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@H]··········C(C)C", "total": 16.211, "axes": {"activity": 7.23, "binding": 3.15, "selectivity": 1.39, "admet": 2.1, "novelty": 1.38, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 5.034, "fraction": 0.241}, "binding": {"pIC50": 5.61, "LE": 0.233, "potency_term": 0.203, "efficiency_cap": 0.776}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.203}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.771, "caco2-wang": 0.348, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.407, "herg": 1.0, "dili": 0.109}}, "novelty": {"max_tanimoto": 0.427, "novelty": 0.573}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "2", "pAct_q10": 5.0339306018016705, "aff_pf": 0.3913693030675252, "aff_hs": 1.0762008825937908, "repeats_pf": {"runs": 3, "values": [0.5061, 0.4046, 0.2634], "mean": 0.3914, "spread": 0.2428}, "repeats_hs": {"runs": 3, "values": [1.162, 1.0575, 1.0091], "mean": 1.0762, "spread": 0.1528}, "at": 1786959675}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958974, "scored_at": 1786959675, "alerts": [], "rank": 5335}, {"candidate_id": "ODC-F6F5F7", "res_at": 1786961876, "skeleton": "XEPXLGPIABJCFY", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········C1CC1", "total": 16.202, "axes": {"activity": 8.45, "binding": 2.83, "selectivity": 0.18, "admet": 1.91, "novelty": 1.57, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.107, "fraction": 0.282}, "binding": {"pIC50": 5.44, "LE": 0.287, "potency_term": 0.148, "efficiency_cap": 0.956}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.148}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.772, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.538, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.55, "herg": 0.353, "dili": 0.422}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 5.106776377572588, "aff_pf": 0.5563574632008871, "aff_hs": 0.6764688889185587, "repeats_pf": {"runs": 3, "values": [0.5686, 0.5489, 0.5516], "mean": 0.5564, "spread": 0.0197}, "repeats_hs": {"runs": 3, "values": [0.6341, 0.722, 0.6733], "mean": 0.6765, "spread": 0.0879}, "at": 1786961876}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959853, "scored_at": 1786961876, "alerts": [], "rank": 5336}, {"candidate_id": "ODC-613A1E", "res_at": 1788979179, "skeleton": "AOILKZLCQUGCAQ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(O··········[nH]1", "total": 16.193, "axes": {"activity": 6.91, "binding": 4.28, "selectivity": 0.55, "admet": 1.77, "novelty": 1.54, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.015, "fraction": 0.23}, "binding": {"pIC50": 5.64, "LE": 0.322, "potency_term": 0.214, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.214}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.915, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.982, "ld50-zhu": 0.43, "herg": 0.219, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 5.014696714036841, "aff_pf": 0.3584210177262624, "aff_hs": 0.6147102316220602, "repeats_pf": {"runs": 3, "values": [0.3201, 0.4168, 0.3384], "mean": 0.3584, "spread": 0.0968}, "repeats_hs": {"runs": 3, "values": [0.6599, 0.5631, 0.6211], "mean": 0.6147, "spread": 0.0969}, "at": 1788979179}, "tier": 1, "alerts": [], "total_sd": 0.237, "total_ci95": [15.703, 16.597], "relegate_reason": [], "submitted_at": 1788971913, "scored_at": 1788979179, "rank": 5337}, {"candidate_id": "ODC-857374", "res_at": 1787871723, "skeleton": "JVQQAFYLFPHOFU", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-GM02]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 16.178, "axes": {"activity": 8.48, "binding": 2.94, "selectivity": 0.14, "admet": 1.86, "novelty": 1.35, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 5.109, "fraction": 0.283}, "binding": {"pIC50": 5.44, "LE": 0.311, "potency_term": 0.147, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.147}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.769, "ld50-zhu": 0.498, "herg": 0.875, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.10862138377978, "aff_pf": 0.5582810540994009, "aff_hs": 0.6515352924664816, "repeats_pf": {"runs": 3, "values": [0.4629, 0.5644, 0.6475], "mean": 0.5583, "spread": 0.1846}, "repeats_hs": {"runs": 3, "values": [0.7018, 0.7103, 0.5424], "mean": 0.6515, "spread": 0.1679}, "at": 1787841188}, "tier": 1, "relegate_reason": [], "submitted_at": 1787788057, "scored_at": 1787841188, "alerts": [], "rank": 5338}, {"candidate_id": "ODC-0EEDF9", "res_at": 1787144573, "skeleton": "JGDWKYLUHGWKDO", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 16.154, "axes": {"activity": 4.08, "binding": 5.74, "selectivity": 1.93, "admet": 2.52, "novelty": 0.47, "synthesis": 1.41}, "detail": {"activity": {"pAct_q10": 4.845, "fraction": 0.136}, "binding": {"pIC50": 5.86, "LE": 0.382, "potency_term": 0.287, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.287}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.938, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.73, "cyp3a4-substrate-carbonmangels": 0.427, "ld50-zhu": 0.358, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.837, "novelty": 0.163}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.8450438480985865, "aff_pf": 0.13903318842252096, "aff_hs": 0.8101028402646383, "repeats_pf": {"runs": 3, "values": [0.1657, 0.0068, 0.2446], "mean": 0.139, "spread": 0.2377}, "repeats_hs": {"runs": 3, "values": [0.7956, 0.8688, 0.7659], "mean": 0.8101, "spread": 0.1029}, "at": 1787144573}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142982, "scored_at": 1787144573, "alerts": [], "rank": 5339}, {"candidate_id": "ODC-D0718C", "res_at": 1786988053, "skeleton": "ZUEGMXGMWWCIRB", "hf_user": "polarbearsong", "display_name": "ODC-R2-01-pyrazolopyrimidine", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 16.145, "axes": {"activity": 1.14, "binding": 6.81, "selectivity": 2.24, "admet": 2.79, "novelty": 1.7, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 4.668, "fraction": 0.038}, "binding": {"pIC50": 6.02, "LE": 0.359, "potency_term": 0.341, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.328, "target_engagement": 0.341}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.338, "herg": 0.619, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 4.6682098619634935, "aff_pf": -0.021880597497026127, "aff_hs": 0.6349443594614664, "repeats_pf": {"runs": 3, "values": [-0.0313, -0.0361, 0.0018], "mean": -0.0219, "spread": 0.038}, "repeats_hs": {"runs": 3, "values": [0.5321, 0.6851, 0.6876], "mean": 0.6349, "spread": 0.1555}, "at": 1786988053}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984560, "scored_at": 1786988053, "alerts": [], "rank": 5340}, {"candidate_id": "ODC-2ECDCC", "res_at": 1789409592, "skeleton": "MSWMUMABOPVAPS", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(N)c1··········nc2n1", "total": 16.143, "axes": {"activity": 9.86, "binding": 1.3, "selectivity": 0.0, "admet": 2.29, "novelty": 1.8, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.329}, "binding": {"pIC50": 4.93, "LE": 0.233, "potency_term": 0.083, "efficiency_cap": 0.776}, "selectivity": {"fold": 8.4, "selectivity_term": 0.462, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.565, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.693, "herg": 0.072, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 4.08}}, "run": {"gpu": "0", "pAct_q10": 5.19146623554489, "aff_pf": 1.0723364353179932, "aff_hs": 1.99552321434021, "repeats_pf": {"runs": 3, "values": [1.1109, 1.1681, 0.938], "mean": 1.0723, "spread": 0.2301}, "repeats_hs": {"runs": 3, "values": [1.9955, 2.0029, 1.9882], "mean": 1.9955, "spread": 0.0146}, "at": 1789409592}, "tier": 1, "alerts": [], "total_sd": 0.435, "total_ci95": [14.886, 16.361], "relegate_reason": [], "submitted_at": 1789407688, "scored_at": 1789409592, "rank": 5341}, {"candidate_id": "ODC-BEACE2", "res_at": 1788798126, "skeleton": "RKVTUAKENURKKO", "hf_user": "Bio-JS", "display_name": "0907-S1-22", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········O)cc1", "total": 16.138, "axes": {"activity": 10.33, "binding": 0.46, "selectivity": 0.0, "admet": 1.54, "novelty": 2.09, "synthesis": 1.72}, "detail": {"activity": {"pAct_q10": 5.22, "fraction": 0.344}, "binding": {"pIC50": 5.08, "LE": 0.249, "potency_term": 0.028, "efficiency_cap": 0.829}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.028}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.602, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 5.219662407226558, "aff_pf": 0.9159836570421854, "aff_hs": 0.2527933443586032, "repeats_pf": {"runs": 3, "values": [0.9695, 0.8679, 0.9106], "mean": 0.916, "spread": 0.1016}, "repeats_hs": {"runs": 3, "values": [0.0707, 0.394, 0.2937], "mean": 0.2528, "spread": 0.3232}, "at": 1788798126}, "tier": 1, "alerts": [], "total_sd": 0.139, "total_ci95": [15.841, 16.411], "relegate_reason": [], "submitted_at": 1788707764, "scored_at": 1788798126, "rank": 5342}, {"candidate_id": "ODC-01A909", "res_at": 1789331236, "skeleton": "ORTKNEUUWRBDKP", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-08_2F_Morph", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 16.117, "axes": {"activity": 7.54, "binding": 3.93, "selectivity": 0.0, "admet": 1.79, "novelty": 1.66, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.052, "fraction": 0.251}, "binding": {"pIC50": 5.59, "LE": 0.306, "potency_term": 0.196, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.498, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.508, "cyp3a4-substrate-carbonmangels": 0.218, "ld50-zhu": 0.515, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "0", "pAct_q10": 5.052129349060204, "aff_pf": 0.41080497701962787, "aff_hs": 0.15662430226802826, "repeats_pf": {"runs": 3, "values": [0.3724, 0.3882, 0.4718], "mean": 0.4108, "spread": 0.0993}, "repeats_hs": {"runs": 3, "values": [0.1922, 0.1911, 0.0866], "mean": 0.1566, "spread": 0.1056}, "at": 1789331236}, "tier": 1, "alerts": [], "total_sd": 0.164, "total_ci95": [15.711, 16.373], "relegate_reason": [], "submitted_at": 1789321680, "scored_at": 1789331236, "rank": 5343}, {"candidate_id": "ODC-358650", "res_at": 1787081119, "skeleton": "LCAXDBYFQBOFNV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········O)c1C", "total": 16.111, "axes": {"activity": 7.21, "binding": 4.16, "selectivity": 0.4, "admet": 2.03, "novelty": 1.82, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 5.033, "fraction": 0.24}, "binding": {"pIC50": 5.67, "LE": 0.278, "potency_term": 0.225, "efficiency_cap": 0.926}, "selectivity": {"fold": 1.5, "selectivity_term": 0.089, "target_engagement": 0.225}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.51, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.97, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.441}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 4.59}}, "run": {"gpu": "2", "pAct_q10": 5.032693388029776, "aff_pf": 0.32501545548439026, "aff_hs": 0.503527045249939, "repeats_pf": {"runs": 3, "values": [0.2071, 0.4058, 0.3622], "mean": 0.325, "spread": 0.1987}, "repeats_hs": {"runs": 3, "values": [0.4977, 0.5679, 0.445], "mean": 0.5035, "spread": 0.1229}, "at": 1787081119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069526, "scored_at": 1787081119, "alerts": [], "rank": 5344}, {"candidate_id": "ODC-B5226D", "res_at": 1786937114, "skeleton": "KKCBAAZBISLSQT", "hf_user": "1Dmeds", "display_name": "ODC26-R2-05", "model_name": "OpenAI GPT-5.6 Luna Extra High + literature review", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········nc2n1", "total": 16.097, "axes": {"activity": 8.73, "binding": 2.06, "selectivity": 0.83, "admet": 1.73, "novelty": 1.43, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.124, "fraction": 0.291}, "binding": {"pIC50": 5.35, "LE": 0.262, "potency_term": 0.118, "efficiency_cap": 0.873}, "selectivity": {"fold": 5.0, "selectivity_term": 0.351, "target_engagement": 0.118}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.373, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.395, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.508, "novelty": 0.492}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 5.124022457770688, "aff_pf": 0.6469207803408304, "aff_hs": 1.3493191003799438, "repeats_pf": {"runs": 3, "values": [0.5196, 0.7522, 0.669], "mean": 0.6469, "spread": 0.2327}, "repeats_hs": {"runs": 3, "values": [1.3384, 1.4091, 1.3004], "mean": 1.3493, "spread": 0.1087}, "at": 1786937114}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930984, "scored_at": 1786937114, "alerts": [], "rank": 5345}, {"candidate_id": "ODC-8AFEDC", "res_at": 1789903107, "skeleton": "XEUCPSWYJAUAIR", "hf_user": "Bio-JS", "display_name": "0918-S1-div12", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········cc1OC", "total": 16.093, "axes": {"activity": 9.51, "binding": 1.14, "selectivity": 0.0, "admet": 2.14, "novelty": 1.88, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.171, "fraction": 0.317}, "binding": {"pIC50": 4.83, "LE": 0.264, "potency_term": 0.065, "efficiency_cap": 0.882}, "selectivity": {"fold": 1.4, "selectivity_term": 0.08, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.605, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.392, "herg": 0.05, "dili": 0.094}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "0", "pAct_q10": 5.170853666968916, "aff_pf": 1.1733762820561726, "aff_hs": 1.333121418952942, "repeats_pf": {"runs": 3, "values": [1.1085, 1.1951, 1.2165], "mean": 1.1734, "spread": 0.108}, "repeats_hs": {"runs": 3, "values": [1.4999, 1.4064, 1.0931], "mean": 1.3331, "spread": 0.4068}, "at": 1789903107}, "tier": 1, "alerts": [], "total_sd": 0.081, "total_ci95": [15.967, 16.312], "relegate_reason": [], "submitted_at": 1789687038, "scored_at": 1789903107, "rank": 5346}, {"candidate_id": "ODC-E1F0AE", "res_at": 1787254702, "skeleton": "ZLMUXPZMRQZIBJ", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-F01", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········nc2c1", "total": 16.084, "axes": {"activity": 8.86, "binding": 1.7, "selectivity": 0.11, "admet": 2.3, "novelty": 1.63, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 5.27, "LE": 0.289, "potency_term": 0.089, "efficiency_cap": 0.962}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.984, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.715, "cyp3a4-substrate-carbonmangels": 0.852, "ld50-zhu": 0.462, "herg": 0.186, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 5.1314005010835455, "aff_pf": 0.7341230710347494, "aff_hs": 0.862484077612559, "repeats_pf": {"runs": 3, "values": [0.7589, 0.7008, 0.7426], "mean": 0.7341, "spread": 0.058}, "repeats_hs": {"runs": 3, "values": [0.8192, 0.8252, 0.943], "mean": 0.8625, "spread": 0.1238}, "at": 1787254702}, "tier": 1, "relegate_reason": [], "submitted_at": 1787247534, "scored_at": 1787254702, "alerts": [], "rank": 5347}, {"candidate_id": "ODC-82D24C", "res_at": 1787234751, "skeleton": "FVIMGRJBSLTOQJ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········2)cc1", "total": 16.073, "axes": {"activity": 8.69, "binding": 1.92, "selectivity": 0.54, "admet": 1.71, "novelty": 1.94, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.121, "fraction": 0.29}, "binding": {"pIC50": 5.41, "LE": 0.212, "potency_term": 0.136, "efficiency_cap": 0.706}, "selectivity": {"fold": 2.5, "selectivity_term": 0.197, "target_engagement": 0.136}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.163, "cyp2c9-veith": 0.514, "cyp3a4-substrate-carbonmangels": 0.702, "ld50-zhu": 0.524, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.1212488894608965, "aff_pf": 0.5916405121485392, "aff_hs": 0.985998789469401, "repeats_pf": {"runs": 3, "values": [0.6378, 0.4272, 0.7099], "mean": 0.5916, "spread": 0.2828}, "repeats_hs": {"runs": 3, "values": [1.1352, 0.6435, 1.1793], "mean": 0.986, "spread": 0.5358}, "at": 1787234751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232104, "scored_at": 1787234751, "alerts": [], "rank": 5348}, {"candidate_id": "ODC-5EA5BB", "res_at": 1786827182, "skeleton": "BTKZSGOMFQABBR", "hf_user": "zero-stone", "display_name": "ZERO", "model_name": "gemini", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········2)no1", "total": 16.064, "axes": {"activity": 7.72, "binding": 3.77, "selectivity": 0.0, "admet": 1.67, "novelty": 1.61, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.063, "fraction": 0.257}, "binding": {"pIC50": 5.57, "LE": 0.347, "potency_term": 0.188, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.318, "herg": 0.576, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 5.0632291208109, "aff_pf": 0.4349874258041382, "aff_hs": 0.03185200442870458, "repeats_pf": {"runs": 3, "values": [0.5156, 0.3875, 0.4018], "mean": 0.435, "spread": 0.1281}, "repeats_hs": {"runs": 3, "values": [0.1194, 0.0464, -0.0702], "mean": 0.0319, "spread": 0.1896}, "at": 1786827182}, "tier": 1, "relegate_reason": [], "submitted_at": 1786791457, "scored_at": 1786827182, "alerts": [], "rank": 5349}, {"candidate_id": "ODC-243249", "res_at": 1788073426, "skeleton": "ASAFBWRLGQQTTC", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········COCC1", "total": 16.061, "axes": {"activity": 9.84, "binding": 0.55, "selectivity": 0.0, "admet": 1.95, "novelty": 2.08, "synthesis": 1.64}, "detail": {"activity": {"pAct_q10": 5.191, "fraction": 0.328}, "binding": {"pIC50": 4.57, "LE": 0.241, "potency_term": 0.034, "efficiency_cap": 0.803}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.633, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.571, "ld50-zhu": 0.423, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 5.190660725408171, "aff_pf": 1.4305649598439534, "aff_hs": 1.412186861038208, "repeats_pf": {"runs": 3, "values": [1.4443, 1.4564, 1.3911], "mean": 1.4306, "spread": 0.0653}, "repeats_hs": {"runs": 3, "values": [1.2413, 1.5022, 1.493], "mean": 1.4122, "spread": 0.2609}, "at": 1788073426}, "tier": 1, "alerts": [], "total_sd": 0.024, "total_ci95": [16.024, 16.123], "relegate_reason": [], "submitted_at": 1788028843, "scored_at": 1788073426, "rank": 5350}, {"candidate_id": "ODC-36BDE4", "res_at": 1787030946, "skeleton": "YOGJHULBDHSDHQ", "hf_user": "epicsaga", "display_name": "PFD-06", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········C(F)F", "total": 16.06, "axes": {"activity": 7.7, "binding": 2.83, "selectivity": 0.11, "admet": 2.61, "novelty": 1.68, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.062, "fraction": 0.257}, "binding": {"pIC50": 5.42, "LE": 0.338, "potency_term": 0.141, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.039, "target_engagement": 0.141}, "admet": {"geometric_mean": 0.679, "per_endpoint": {"solubility-aqsoldb": 0.586, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.799, "ld50-zhu": 0.752, "herg": 0.496, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 5.061719818573942, "aff_pf": 0.5757978161176046, "aff_hs": 0.6534365018208822, "repeats_pf": {"runs": 3, "values": [0.5871, 0.6522, 0.4881], "mean": 0.5758, "spread": 0.1641}, "repeats_hs": {"runs": 3, "values": [0.6139, 0.7043, 0.6421], "mean": 0.6534, "spread": 0.0903}, "at": 1787030946}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029823, "scored_at": 1787030946, "alerts": [], "rank": 5351}, {"candidate_id": "ODC-7D86E3", "res_at": 1788455855, "skeleton": "IIFLGGHRTRNVBN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc2··········)=NC2", "total": 16.05, "axes": {"activity": 6.28, "binding": 5.66, "selectivity": 0.0, "admet": 0.94, "novelty": 2.03, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 4.977, "fraction": 0.209}, "binding": {"pIC50": 6.1, "LE": 0.232, "potency_term": 0.366, "efficiency_cap": 0.773}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.366}, "admet": {"geometric_mean": 0.222, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.526, "herg": 0.05, "dili": 0.138}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 4.977075605219675, "aff_pf": -0.097394364575545, "aff_hs": -0.3598702847957611, "repeats_pf": {"runs": 3, "values": [0.1242, -0.358, -0.0584], "mean": -0.0974, "spread": 0.4822}, "repeats_hs": {"runs": 3, "values": [-0.3063, -0.4224, -0.3509], "mean": -0.3599, "spread": 0.1161}, "at": 1788455855}, "tier": 1, "alerts": [], "total_sd": 1.155, "total_ci95": [13.795, 17.775], "relegate_reason": [], "submitted_at": 1788394158, "scored_at": 1788455855, "rank": 5352}, {"candidate_id": "ODC-5B57EF", "res_at": 1789955650, "skeleton": "OKDXUQCZRCDHBF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 16.044, "axes": {"activity": 9.37, "binding": 0.11, "selectivity": 0.0, "admet": 2.95, "novelty": 2.24, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.162, "fraction": 0.312}, "binding": {"pIC50": 5.03, "LE": 0.202, "potency_term": 0.008, "efficiency_cap": 0.675}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.008}, "admet": {"geometric_mean": 0.63, "per_endpoint": {"solubility-aqsoldb": 0.621, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.765, "cyp2c9-veith": 0.912, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.995, "herg": 0.05, "dili": 0.778}}, "novelty": {"max_tanimoto": 0.283, "novelty": 0.717}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 5.162482763726391, "aff_pf": 0.9745323260625204, "aff_hs": 0.9131593902905782, "repeats_pf": {"runs": 3, "values": [1.0063, 1.1754, 0.7419], "mean": 0.9745, "spread": 0.4335}, "repeats_hs": {"runs": 3, "values": [0.7352, 0.808, 1.1963], "mean": 0.9132, "spread": 0.4611}, "at": 1789955650}, "tier": 1, "alerts": [], "total_sd": 0.435, "total_ci95": [16.044, 17.292], "relegate_reason": [], "submitted_at": 1789863602, "scored_at": 1789955650, "rank": 5353}, {"candidate_id": "ODC-668439", "res_at": 1789909311, "skeleton": "CDRTZXQWTQNYSR", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 16.037, "axes": {"activity": 9.67, "binding": 1.0, "selectivity": 0.0, "admet": 2.81, "novelty": 1.06, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.18, "fraction": 0.322}, "binding": {"pIC50": 4.78, "LE": 0.262, "potency_term": 0.058, "efficiency_cap": 0.873}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.534, "caco2-wang": 0.712, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.893, "cyp3a4-substrate-carbonmangels": 0.8, "ld50-zhu": 0.282, "herg": 0.696, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.672, "novelty": 0.328}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 5.180406628218175, "aff_pf": 1.2211209535598755, "aff_hs": 0.9714061220486959, "repeats_pf": {"runs": 3, "values": [1.1715, 1.4269, 1.065], "mean": 1.2211, "spread": 0.3619}, "repeats_hs": {"runs": 3, "values": [0.9704, 0.7642, 1.1797], "mean": 0.9714, "spread": 0.4155}, "at": 1789909311}, "tier": 1, "alerts": [], "total_sd": 0.234, "total_ci95": [15.608, 16.565], "relegate_reason": [], "submitted_at": 1789828753, "scored_at": 1789909311, "rank": 5354}, {"candidate_id": "ODC-83A0ED", "res_at": 1786970619, "skeleton": "MKZIOLDJVAWJDC", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCN(CC)··········cc1Cl", "total": 16.03, "axes": {"activity": 10.02, "binding": 0.03, "selectivity": 0.0, "admet": 3.3, "novelty": 2.05, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 5.201, "fraction": 0.334}, "binding": {"pIC50": 5.0, "LE": 0.274, "potency_term": 0.001, "efficiency_cap": 0.914}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.001}, "admet": {"geometric_mean": 0.66, "per_endpoint": {"solubility-aqsoldb": 0.704, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.736, "cyp2c9-veith": 0.946, "cyp3a4-substrate-carbonmangels": 0.545, "ld50-zhu": 0.562, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 4.68}}, "run": {"gpu": "2", "pAct_q10": 5.201120730892626, "aff_pf": 0.9956092437108358, "aff_hs": 0.8695939381917318, "repeats_pf": {"runs": 3, "values": [0.9484, 0.8728, 1.1656], "mean": 0.9956, "spread": 0.2927}, "repeats_hs": {"runs": 3, "values": [0.8845, 0.8219, 0.9024], "mean": 0.8696, "spread": 0.0805}, "at": 1786970619}, "tier": 1, "relegate_reason": [], "submitted_at": 1786969559, "scored_at": 1786970619, "alerts": [], "rank": 5355}, {"candidate_id": "ODC-21E53C", "res_at": 1789357330, "skeleton": "OGDOOPXVNJUQNA", "hf_user": "Bio-JS", "display_name": "0914-S1-div15", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 16.028, "axes": {"activity": 7.91, "binding": 2.59, "selectivity": 0.42, "admet": 2.39, "novelty": 1.6, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.075, "fraction": 0.264}, "binding": {"pIC50": 5.39, "LE": 0.321, "potency_term": 0.13, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.992, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.488, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.0745923457183615, "aff_pf": 0.6111323634783427, "aff_hs": 0.9389930764834086, "repeats_pf": {"runs": 3, "values": [0.6261, 0.6706, 0.5366], "mean": 0.6111, "spread": 0.134}, "repeats_hs": {"runs": 3, "values": [0.8925, 0.948, 0.9765], "mean": 0.939, "spread": 0.084}, "at": 1789357330}, "tier": 1, "alerts": [], "total_sd": 0.285, "total_ci95": [15.598, 16.735], "relegate_reason": [], "submitted_at": 1789346132, "scored_at": 1789357330, "rank": 5356}, {"candidate_id": "ODC-DF7D70", "res_at": 1787078729, "skeleton": "UXEWSQMNCSPGHY", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc2n1", "total": 15.999, "axes": {"activity": 10.78, "binding": 0.16, "selectivity": 0.0, "admet": 1.28, "novelty": 2.27, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.247, "fraction": 0.359}, "binding": {"pIC50": 5.04, "LE": 0.197, "potency_term": 0.012, "efficiency_cap": 0.657}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.012}, "admet": {"geometric_mean": 0.238, "per_endpoint": {"solubility-aqsoldb": 0.158, "caco2-wang": 0.386, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.624, "cyp3a4-substrate-carbonmangels": 0.583, "ld50-zhu": 0.05, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.247064268073921, "aff_pf": 0.9633568922678629, "aff_hs": 0.47714781761169434, "repeats_pf": {"runs": 3, "values": [0.9899, 0.9309, 0.9693], "mean": 0.9634, "spread": 0.0591}, "repeats_hs": {"runs": 3, "values": [0.4614, 0.5166, 0.4534], "mean": 0.4771, "spread": 0.0632}, "at": 1787078729}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067027, "scored_at": 1787078729, "alerts": [], "rank": 5357}, {"candidate_id": "ODC-0FB379", "res_at": 1786841725, "skeleton": "XQRYBDBSPVAPOK", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········r)cc1", "total": 15.989, "axes": {"activity": 1.41, "binding": 6.2, "selectivity": 2.68, "admet": 2.07, "novelty": 2.07, "synthesis": 1.55}, "detail": {"activity": {"pAct_q10": 4.685, "fraction": 0.047}, "binding": {"pIC50": 5.93, "LE": 0.369, "potency_term": 0.31, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.433, "target_engagement": 0.31}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.055, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.211, "cyp3a4-substrate-carbonmangels": 0.884, "ld50-zhu": 0.51, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "3", "pAct_q10": 4.684690798178965, "aff_pf": 0.06959280868371327, "aff_hs": 0.9351813991864523, "repeats_pf": {"runs": 3, "values": [0.0047, -0.0186, 0.2227], "mean": 0.0696, "spread": 0.2413}, "repeats_hs": {"runs": 3, "values": [0.8959, 0.8335, 1.0761], "mean": 0.9352, "spread": 0.2426}, "at": 1786841725}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806862, "scored_at": 1786841725, "alerts": [], "rank": 5358}, {"candidate_id": "ODC-66B9AC", "res_at": 1787951503, "skeleton": "LJJRIUSWLQXWJI", "hf_user": "Bio-JS", "display_name": "B4 피롤로트라이아진 6-CHF2 x 옥세탄 + F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 15.972, "axes": {"activity": 4.81, "binding": 5.81, "selectivity": 0.28, "admet": 1.82, "novelty": 2.09, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 4.889, "fraction": 0.16}, "binding": {"pIC50": 5.87, "LE": 0.322, "potency_term": 0.29, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.048, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.904, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.669, "cyp2c9-veith": 0.419, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.565, "herg": 0.08, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 4.888546602095487, "aff_pf": 0.12878528237342834, "aff_hs": 0.22509283324082693, "repeats_pf": {"runs": 3, "values": [0.119, 0.0084, 0.2589], "mean": 0.1288, "spread": 0.2505}, "repeats_hs": {"runs": 3, "values": [0.0964, 0.3836, 0.1953], "mean": 0.2251, "spread": 0.2873}, "at": 1787951503}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945153, "scored_at": 1787951503, "alerts": [], "rank": 5359}, {"candidate_id": "ODC-4DDE90", "res_at": 1787371940, "skeleton": "XAGYAPYDEAKJOT", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C(F··········2)CC1", "total": 15.955, "axes": {"activity": 5.75, "binding": 5.26, "selectivity": 0.0, "admet": 2.37, "novelty": 1.99, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.945, "fraction": 0.192}, "binding": {"pIC50": 5.83, "LE": 0.285, "potency_term": 0.276, "efficiency_cap": 0.951}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.503, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.976, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.583, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 4.45}}, "run": {"gpu": "3", "pAct_q10": 4.945004593341999, "aff_pf": 0.17078612248102823, "aff_hs": 0.14099852740764618, "repeats_pf": {"runs": 3, "values": [0.1386, 0.2697, 0.1041], "mean": 0.1708, "spread": 0.1657}, "repeats_hs": {"runs": 3, "values": [0.1023, 0.14, 0.1807], "mean": 0.141, "spread": 0.0784}, "at": 1787371940}, "tier": 1, "relegate_reason": [], "submitted_at": 1787365078, "scored_at": 1787371940, "alerts": [], "rank": 5360}, {"candidate_id": "ODC-21E451", "res_at": 1786776162, "skeleton": "HRSFSXMEUNEPIG", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········)c1=O", "total": 15.95, "axes": {"activity": 2.72, "binding": 6.82, "selectivity": 0.0, "admet": 3.25, "novelty": 2.11, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.561, "fraction": 0.091}, "binding": {"pIC50": 6.02, "LE": 0.317, "potency_term": 0.341, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.341}, "admet": {"geometric_mean": 0.637, "per_endpoint": {"solubility-aqsoldb": 0.671, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.524, "dili": 0.21}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "3", "pAct_q10": 4.560792018063737, "aff_pf": -0.022486001253128052, "aff_hs": -0.21643128991127014, "at": 1786776162}, "tier": 1, "relegate_reason": [], "submitted_at": 1786775803, "scored_at": 1786776162, "alerts": [], "rank": 5361}, {"candidate_id": "ODC-93DD0E", "res_at": 1786895172, "skeleton": "QOPOOAGSXIFTJE", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(B··········)nn12", "total": 15.944, "axes": {"activity": 9.76, "binding": 0.84, "selectivity": 0.0, "admet": 1.86, "novelty": 2.29, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.186, "fraction": 0.325}, "binding": {"pIC50": 4.74, "LE": 0.241, "potency_term": 0.052, "efficiency_cap": 0.802}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.102, "cyp3a4-substrate-carbonmangels": 0.216, "ld50-zhu": 0.719, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.185597348109367, "aff_pf": 1.2589128812154133, "aff_hs": 1.0674371719360352, "repeats_pf": {"runs": 3, "values": [1.2269, 1.2823, 1.2676], "mean": 1.2589, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [1.0902, 0.9572, 1.1549], "mean": 1.0674, "spread": 0.1977}, "at": 1786895172}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879784, "scored_at": 1786895172, "alerts": [], "rank": 5362}, {"candidate_id": "ODC-B6E8F7", "res_at": 1788308095, "skeleton": "HRIOKUWHMANLTI", "hf_user": "MJKorean", "display_name": "MJ_Arta", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 15.942, "axes": {"activity": 8.91, "binding": 1.27, "selectivity": 0.4, "admet": 2.37, "novelty": 1.7, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.134, "fraction": 0.297}, "binding": {"pIC50": 5.2, "LE": 0.285, "potency_term": 0.067, "efficiency_cap": 0.95}, "selectivity": {"fold": 3.9, "selectivity_term": 0.296, "target_engagement": 0.067}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.584, "caco2-wang": 0.622, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.838, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.484, "herg": 0.138, "dili": 0.421}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 5.134495501692757, "aff_pf": 0.7991737922032675, "aff_hs": 1.3916505575180054, "repeats_pf": {"runs": 3, "values": [0.8894, 0.8138, 0.6943], "mean": 0.7992, "spread": 0.1951}, "repeats_hs": {"runs": 3, "values": [1.4154, 1.3472, 1.4123], "mean": 1.3917, "spread": 0.0683}, "at": 1788308095}, "tier": 1, "alerts": [], "total_sd": 0.452, "total_ci95": [15.155, 16.98], "relegate_reason": [], "submitted_at": 1788287816, "scored_at": 1788308095, "rank": 5363}, {"candidate_id": "ODC-27AB84", "res_at": 1786775463, "skeleton": "PAYSERZDFUTCSC", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccn··········=O)c1", "total": 15.93, "axes": {"activity": 6.78, "binding": 4.39, "selectivity": 0.35, "admet": 1.67, "novelty": 1.61, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.007, "fraction": 0.226}, "binding": {"pIC50": 5.66, "LE": 0.337, "potency_term": 0.22, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.08, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.276, "herg": 0.867, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 5.006713632344529, "aff_pf": 0.3412521779537201, "aff_hs": 0.5012763738632202, "at": 1786775463}, "tier": 1, "relegate_reason": [], "submitted_at": 1786775307, "scored_at": 1786775463, "alerts": [], "rank": 5364}, {"candidate_id": "ODC-EC9224", "res_at": 1786889605, "skeleton": "VIHJRJMLNKWXEH", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········C)c1F", "total": 15.89, "axes": {"activity": 8.91, "binding": 1.53, "selectivity": 0.08, "admet": 2.12, "novelty": 2.2, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.134, "fraction": 0.297}, "binding": {"pIC50": 5.26, "LE": 0.267, "potency_term": 0.086, "efficiency_cap": 0.889}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.086}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.679, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "2", "pAct_q10": 5.134427028702418, "aff_pf": 0.741292417049408, "aff_hs": 0.8357524673144022, "repeats_pf": {"runs": 3, "values": [0.7027, 0.7494, 0.7717], "mean": 0.7413, "spread": 0.069}, "repeats_hs": {"runs": 3, "values": [0.7539, 0.8677, 0.8856], "mean": 0.8358, "spread": 0.1317}, "at": 1786889605}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880619, "scored_at": 1786889605, "alerts": [], "rank": 5365}, {"candidate_id": "ODC-0FFBA3", "res_at": 1786878585, "skeleton": "NXSHPOMJKXMSSM", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1ccc2··········2c1=O", "total": 15.875, "axes": {"activity": 2.23, "binding": 5.37, "selectivity": 2.56, "admet": 2.58, "novelty": 2.02, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 4.734, "fraction": 0.074}, "binding": {"pIC50": 5.81, "LE": 0.346, "potency_term": 0.269, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.477, "target_engagement": 0.269}, "admet": {"geometric_mean": 0.641, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.521, "cyp3a4-substrate-carbonmangels": 0.757, "ld50-zhu": 0.786, "herg": 0.957, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 4.733739996490488, "aff_pf": 0.1938185691833496, "aff_hs": 1.1475393374760945, "repeats_pf": {"runs": 3, "values": [0.2025, 0.1686, 0.2104], "mean": 0.1938, "spread": 0.0418}, "repeats_hs": {"runs": 3, "values": [1.1113, 1.2196, 1.1118], "mean": 1.1475, "spread": 0.1083}, "at": 1786878585}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872787, "scored_at": 1786878585, "alerts": [], "rank": 5366}, {"candidate_id": "ODC-A7F21B", "res_at": 1787068953, "skeleton": "VJAAPUUDQALHKZ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LA10", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Oc··········)n2n1", "total": 15.865, "axes": {"activity": 9.78, "binding": 1.11, "selectivity": 0.0, "admet": 1.58, "novelty": 2.03, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 4.89, "LE": 0.216, "potency_term": 0.077, "efficiency_cap": 0.721}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.771, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.834, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.61, "ld50-zhu": 0.676, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 5.186877075021159, "aff_pf": 1.1057819525400798, "aff_hs": 1.9371161858240764, "repeats_pf": {"runs": 3, "values": [1.1051, 1.1504, 1.0618], "mean": 1.1058, "spread": 0.0886}, "repeats_hs": {"runs": 3, "values": [2.004, 1.8663, 1.941], "mean": 1.9371, "spread": 0.1377}, "at": 1787068953}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064699, "scored_at": 1787068953, "alerts": [], "rank": 5367}, {"candidate_id": "ODC-EB9F7B", "res_at": 1786860102, "skeleton": "BSPWOHNMQGAXKB", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)c2n1", "total": 15.845, "axes": {"activity": 2.31, "binding": 7.16, "selectivity": 0.0, "admet": 2.31, "novelty": 2.32, "synthesis": 1.76}, "detail": {"activity": {"pAct_q10": 4.738, "fraction": 0.077}, "binding": {"pIC50": 6.07, "LE": 0.347, "potency_term": 0.358, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.358}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.535, "herg": 0.324, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "2", "pAct_q10": 4.738357197288944, "aff_pf": -0.07384796440601349, "aff_hs": -0.2201265146334966, "repeats_pf": {"runs": 3, "values": [-0.0292, -0.1242, -0.0682], "mean": -0.0738, "spread": 0.095}, "repeats_hs": {"runs": 3, "values": [-0.1595, -0.3425, -0.1583], "mean": -0.2201, "spread": 0.1842}, "at": 1786860102}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849029, "scored_at": 1786860102, "alerts": [], "rank": 5368}, {"candidate_id": "ODC-901FC7", "res_at": 1787147363, "skeleton": "AQMGIUJPSSRCEM", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 15.842, "axes": {"activity": 0.22, "binding": 6.9, "selectivity": 2.11, "admet": 2.93, "novelty": 1.95, "synthesis": 1.73}, "detail": {"activity": {"pAct_q10": 4.613, "fraction": 0.007}, "binding": {"pIC50": 6.04, "LE": 0.394, "potency_term": 0.345, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.1, "selectivity_term": 0.306, "target_engagement": 0.345}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.917, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.636, "herg": 0.381, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 4.613074903383731, "aff_pf": -0.03536487619082133, "aff_hs": 0.5769652326901754, "repeats_pf": {"runs": 3, "values": [-0.1018, -0.1084, 0.1041], "mean": -0.0354, "spread": 0.2124}, "repeats_hs": {"runs": 3, "values": [0.5791, 0.56, 0.5918], "mean": 0.577, "spread": 0.0318}, "at": 1787147363}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143361, "scored_at": 1787147363, "alerts": [], "rank": 5369}, {"candidate_id": "ODC-643071", "res_at": 1786852895, "skeleton": "HDYCQKLILRMDKT", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 15.838, "axes": {"activity": 7.94, "binding": 3.43, "selectivity": 0.16, "admet": 1.68, "novelty": 1.45, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 5.51, "LE": 0.328, "potency_term": 0.171, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.048, "target_engagement": 0.171}, "admet": {"geometric_mean": 0.423, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.387, "herg": 0.552, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.076638184456855, "aff_pf": 0.4859412709871928, "aff_hs": 0.5815624793370565, "repeats_pf": {"runs": 3, "values": [0.4035, 0.4965, 0.5579], "mean": 0.4859, "spread": 0.1544}, "repeats_hs": {"runs": 3, "values": [0.5218, 0.6959, 0.527], "mean": 0.5816, "spread": 0.1741}, "at": 1786852895}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847543, "scored_at": 1786852895, "alerts": [], "rank": 5370}, {"candidate_id": "ODC-D177A2", "res_at": 1787056536, "skeleton": "NHLNYWKUFUFOIR", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C1)C2", "total": 15.824, "axes": {"activity": 3.94, "binding": 6.11, "selectivity": 0.67, "admet": 2.17, "novelty": 2.02, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 4.836, "fraction": 0.131}, "binding": {"pIC50": 5.92, "LE": 0.324, "potency_term": 0.305, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.109, "target_engagement": 0.305}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.845, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.482, "herg": 0.054, "dili": 0.163}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.9}}, "run": {"gpu": "2", "pAct_q10": 4.836411911752134, "aff_pf": 0.08410699168841045, "aff_hs": 0.30207546552022296, "repeats_pf": {"runs": 3, "values": [0.081, -0.056, 0.2273], "mean": 0.0841, "spread": 0.2833}, "repeats_hs": {"runs": 3, "values": [0.2414, 0.2523, 0.4125], "mean": 0.3021, "spread": 0.1711}, "at": 1787056536}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055727, "scored_at": 1787056536, "alerts": [], "rank": 5371}, {"candidate_id": "ODC-BACA74", "res_at": 1789921619, "skeleton": "SQLSQGDZGVJSBJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 15.793, "axes": {"activity": 9.79, "binding": 0.44, "selectivity": 0.0, "admet": 2.03, "novelty": 1.92, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.187, "fraction": 0.326}, "binding": {"pIC50": 4.58, "LE": 0.185, "potency_term": 0.035, "efficiency_cap": 0.616}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.405, "cyp2c9-veith": 0.062, "cyp3a4-substrate-carbonmangels": 0.674, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "2", "pAct_q10": 5.1872634056126525, "aff_pf": 1.4160382350285847, "aff_hs": 1.1041073401769002, "repeats_pf": {"runs": 3, "values": [1.4906, 1.256, 1.5015], "mean": 1.416, "spread": 0.2454}, "repeats_hs": {"runs": 3, "values": [1.052, 1.0687, 1.1916], "mean": 1.1041, "spread": 0.1397}, "at": 1789921619}, "tier": 1, "alerts": [], "total_sd": 0.084, "total_ci95": [15.706, 16.03], "relegate_reason": [], "submitted_at": 1789907346, "scored_at": 1789921619, "rank": 5372}, {"candidate_id": "ODC-E876C5", "res_at": 1789122306, "skeleton": "JBASTMMWTRKWRF", "hf_user": "Bio-JS", "display_name": "0911-S1-x_COC_b", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 15.792, "axes": {"activity": 8.78, "binding": 2.11, "selectivity": 0.0, "admet": 2.06, "novelty": 1.55, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.127, "fraction": 0.293}, "binding": {"pIC50": 5.34, "LE": 0.281, "potency_term": 0.113, "efficiency_cap": 0.938}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.113}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.501, "cyp3a4-substrate-carbonmangels": 0.074, "ld50-zhu": 0.682, "herg": 0.132, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 5.126979877998774, "aff_pf": 0.6620809237162272, "aff_hs": 0.5125378767649332, "repeats_pf": {"runs": 3, "values": [0.7628, 0.6216, 0.6018], "mean": 0.6621, "spread": 0.161}, "repeats_hs": {"runs": 3, "values": [0.6082, 0.4522, 0.4772], "mean": 0.5125, "spread": 0.156}, "at": 1789122306}, "tier": 1, "alerts": [], "total_sd": 0.271, "total_ci95": [15.134, 16.197], "relegate_reason": [], "submitted_at": 1789117086, "scored_at": 1789122306, "rank": 5373}, {"candidate_id": "ODC-9C47A5", "res_at": 1787253373, "skeleton": "LMXIRJRFIWSRJX", "hf_user": "kiwoong7548", "display_name": "hey", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FCCCCCN··········2)cc1", "total": 15.788, "axes": {"activity": 9.12, "binding": 1.42, "selectivity": 0.0, "admet": 1.77, "novelty": 1.96, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.147, "fraction": 0.304}, "binding": {"pIC50": 4.96, "LE": 0.234, "potency_term": 0.091, "efficiency_cap": 0.781}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.066, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 0.173, "pgp-broccatelli": 0.945, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.981, "ld50-zhu": 0.45, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 5.147359927496287, "aff_pf": 1.0394567052523296, "aff_hs": 0.618972897529602, "repeats_pf": {"runs": 3, "values": [0.9098, 0.888, 1.3205], "mean": 1.0395, "spread": 0.4325}, "repeats_hs": {"runs": 3, "values": [0.9237, 0.0376, 0.8956], "mean": 0.619, "spread": 0.8861}, "at": 1787253373}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246744, "scored_at": 1787253373, "alerts": [], "rank": 5374}, {"candidate_id": "ODC-BE23AF", "res_at": 1787280942, "skeleton": "FKURDBJQNFUFGV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········2nn1C", "total": 15.739, "axes": {"activity": 10.54, "binding": 0.54, "selectivity": 0.0, "admet": 1.98, "novelty": 1.38, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.233, "fraction": 0.351}, "binding": {"pIC50": 5.09, "LE": 0.259, "potency_term": 0.032, "efficiency_cap": 0.862}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.032}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.592, "caco2-wang": 0.694, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.436, "herg": 0.05, "dili": 0.515}}, "novelty": {"max_tanimoto": 0.609, "novelty": 0.391}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 5.2326109199095585, "aff_pf": 0.9051490426063538, "aff_hs": 0.5057605703671774, "repeats_pf": {"runs": 3, "values": [0.9086, 0.9391, 0.8678], "mean": 0.9051, "spread": 0.0713}, "repeats_hs": {"runs": 3, "values": [0.4874, 0.4823, 0.5475], "mean": 0.5058, "spread": 0.0652}, "at": 1787280942}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276201, "scored_at": 1787280942, "alerts": [], "rank": 5375}, {"candidate_id": "ODC-D321F0", "res_at": 1788833048, "skeleton": "UWJLJXABSCXRTL", "hf_user": "daehan1123", "display_name": "Gemini", "model_name": "Gemini", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)nn12", "total": 15.717, "axes": {"activity": 9.28, "binding": 0.6, "selectivity": 0.21, "admet": 2.12, "novelty": 2.02, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 5.157, "fraction": 0.309}, "binding": {"pIC50": 5.1, "LE": 0.279, "potency_term": 0.032, "efficiency_cap": 0.931}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.032}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.575, "cyp3a4-substrate-carbonmangels": 0.546, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.156996088222356, "aff_pf": 0.9028390645980835, "aff_hs": 1.5631141265233357, "repeats_pf": {"runs": 3, "values": [0.8729, 0.9162, 0.9195], "mean": 0.9028, "spread": 0.0466}, "repeats_hs": {"runs": 3, "values": [1.5306, 1.5315, 1.6273], "mean": 1.5631, "spread": 0.0967}, "at": 1788833048}, "tier": 1, "alerts": [], "total_sd": 0.11, "total_ci95": [15.571, 15.986], "relegate_reason": [], "submitted_at": 1788830440, "scored_at": 1788833048, "rank": 5376}, {"candidate_id": "ODC-16C60F", "res_at": 1787706511, "skeleton": "BXGOIWHIXJWMTJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········s2)n1", "total": 15.708, "axes": {"activity": 6.05, "binding": 5.15, "selectivity": 0.0, "admet": 1.96, "novelty": 1.38, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 4.963, "fraction": 0.202}, "binding": {"pIC50": 5.77, "LE": 0.359, "potency_term": 0.257, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.257}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.502, "caco2-wang": 0.998, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.349, "herg": 0.459, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.463, "novelty": 0.537}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 4.962744518046797, "aff_pf": 0.22797176241874695, "aff_hs": 0.0781254805624485, "repeats_pf": {"runs": 3, "values": [0.1362, 0.2703, 0.2775], "mean": 0.228, "spread": 0.1413}, "repeats_hs": {"runs": 3, "values": [0.1142, -0.0263, 0.1465], "mean": 0.0781, "spread": 0.1728}, "at": 1787706511}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702962, "scored_at": 1787706511, "alerts": [], "rank": 5377}, {"candidate_id": "ODC-3B1140", "res_at": 1786893332, "skeleton": "KMBPTRIBKTWNSK", "hf_user": "ppitu09", "display_name": "CRISTAS Discovery Lab", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········C1CC1", "total": 15.707, "axes": {"activity": 7.07, "binding": 3.26, "selectivity": 1.06, "admet": 2.37, "novelty": 0.87, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 5.024, "fraction": 0.236}, "binding": {"pIC50": 5.49, "LE": 0.342, "potency_term": 0.163, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.326, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.671, "per_endpoint": {"solubility-aqsoldb": 0.618, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.644, "cyp3a4-substrate-carbonmangels": 0.287, "ld50-zhu": 0.534, "herg": 1.0, "dili": 0.214}}, "novelty": {"max_tanimoto": 0.632, "novelty": 0.368}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "2", "pAct_q10": 5.023931807588391, "aff_pf": 0.5109801689783732, "aff_hs": 1.1626804669698079, "repeats_pf": {"runs": 3, "values": [0.5109, 0.5051, 0.5169], "mean": 0.511, "spread": 0.0118}, "repeats_hs": {"runs": 3, "values": [1.1923, 1.1087, 1.187], "mean": 1.1627, "spread": 0.0836}, "at": 1786893332}, "tier": 1, "relegate_reason": [], "submitted_at": 1786886469, "scored_at": 1786893332, "alerts": [], "rank": 5378}, {"candidate_id": "ODC-66A71C", "res_at": 1787360143, "skeleton": "AIOCTSBDZCFUFB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)NC··········)cc12", "total": 15.706, "axes": {"activity": 6.38, "binding": 3.84, "selectivity": 1.8, "admet": 1.27, "novelty": 1.35, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.983, "fraction": 0.213}, "binding": {"pIC50": 5.59, "LE": 0.294, "potency_term": 0.196, "efficiency_cap": 0.981}, "selectivity": {"fold": 8.3, "selectivity_term": 0.46, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.372, "cyp3a4-substrate-carbonmangels": 0.452, "ld50-zhu": 0.497, "herg": 0.086, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 4.983054825013475, "aff_pf": 0.4134400387605031, "aff_hs": 1.334099292755127, "repeats_pf": {"runs": 3, "values": [0.364, 0.4389, 0.4375], "mean": 0.4134, "spread": 0.0749}, "repeats_hs": {"runs": 3, "values": [1.4324, 1.2649, 1.3051], "mean": 1.3341, "spread": 0.1675}, "at": 1787360143}, "tier": 1, "relegate_reason": [], "submitted_at": 1787356767, "scored_at": 1787360143, "alerts": [], "rank": 5379}, {"candidate_id": "ODC-C27804", "res_at": 1786979417, "skeleton": "PDZGMOLZGMWGRT", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "OCCOCCC··········cccc1", "total": 15.673, "axes": {"activity": 9.51, "binding": 0.53, "selectivity": 0.0, "admet": 2.13, "novelty": 2.09, "synthesis": 1.42}, "detail": {"activity": {"pAct_q10": 5.17, "fraction": 0.317}, "binding": {"pIC50": 4.56, "LE": 0.24, "potency_term": 0.033, "efficiency_cap": 0.8}, "selectivity": {"fold": 4.1, "selectivity_term": 0.307, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 0.05, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.411, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.170373118232258, "aff_pf": 1.4436640838781993, "aff_hs": 2.0573462645212808, "repeats_pf": {"runs": 3, "values": [1.8005, 0.4003, 2.1302], "mean": 1.4437, "spread": 1.73}, "repeats_hs": {"runs": 3, "values": [1.9365, 2.1453, 2.0902], "mean": 2.0573, "spread": 0.2088}, "at": 1786979417}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977329, "scored_at": 1786979417, "alerts": [], "rank": 5380}, {"candidate_id": "ODC-D29676", "res_at": 1789235318, "skeleton": "YIDYDUFFARJBTG", "hf_user": "Bio-JS", "display_name": "0913-S1-div13", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 15.67, "axes": {"activity": 8.79, "binding": 1.12, "selectivity": 0.0, "admet": 2.52, "novelty": 1.88, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.127, "fraction": 0.293}, "binding": {"pIC50": 4.77, "LE": 0.297, "potency_term": 0.057, "efficiency_cap": 0.991}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.242, "herg": 0.742, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "0", "pAct_q10": 5.127399530222559, "aff_pf": 1.2272967894872029, "aff_hs": 1.0240538120269775, "repeats_pf": {"runs": 3, "values": [1.2402, 1.1828, 1.2589], "mean": 1.2273, "spread": 0.076}, "repeats_hs": {"runs": 3, "values": [1.0352, 1.1235, 0.9135], "mean": 1.0241, "spread": 0.21}, "at": 1789235318}, "tier": 1, "alerts": [], "total_sd": 0.057, "total_ci95": [15.578, 15.814], "relegate_reason": [], "submitted_at": 1789226328, "scored_at": 1789235318, "rank": 5381}, {"candidate_id": "ODC-83AFD6", "res_at": 1789077831, "skeleton": "PWFWNLKYJHWAEY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1c(-··········)c1=O", "total": 15.668, "axes": {"activity": 9.51, "binding": 0.46, "selectivity": 0.09, "admet": 1.95, "novelty": 2.15, "synthesis": 1.5}, "detail": {"activity": {"pAct_q10": 5.171, "fraction": 0.317}, "binding": {"pIC50": 5.09, "LE": 0.232, "potency_term": 0.03, "efficiency_cap": 0.775}, "selectivity": {"fold": 2.0, "selectivity_term": 0.154, "target_engagement": 0.03}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.67, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.213, "cyp2c9-veith": 0.633, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.855, "herg": 0.05, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 5.170791163541259, "aff_pf": 0.9105274279912313, "aff_hs": 1.219477891921997, "repeats_pf": {"runs": 3, "values": [0.8955, 0.9685, 0.8676], "mean": 0.9105, "spread": 0.1009}, "repeats_hs": {"runs": 3, "values": [1.279, 1.2642, 1.1153], "mean": 1.2195, "spread": 0.1637}, "at": 1789077831}, "tier": 1, "alerts": [], "total_sd": 0.168, "total_ci95": [15.301, 15.958], "relegate_reason": [], "submitted_at": 1789046028, "scored_at": 1789077831, "rank": 5382}, {"candidate_id": "ODC-A38484", "res_at": 1786847087, "skeleton": "LGQQYYGWNXWIOJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)o1", "total": 15.657, "axes": {"activity": 5.02, "binding": 5.57, "selectivity": 0.11, "admet": 2.14, "novelty": 1.6, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 4.901, "fraction": 0.167}, "binding": {"pIC50": 5.84, "LE": 0.32, "potency_term": 0.278, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.278}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.602, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.716, "cyp3a4-substrate-carbonmangels": 0.716, "ld50-zhu": 0.34, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "1", "pAct_q10": 4.901249069330228, "aff_pf": 0.1647746761639913, "aff_hs": 0.2044264922539393, "repeats_pf": {"runs": 3, "values": [0.199, 0.1348, 0.1605], "mean": 0.1648, "spread": 0.0642}, "repeats_hs": {"runs": 3, "values": [0.215, 0.1821, 0.2161], "mean": 0.2044, "spread": 0.034}, "at": 1786847087}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845832, "scored_at": 1786847087, "alerts": [], "rank": 5383}, {"candidate_id": "ODC-C8940C", "res_at": 1787288143, "skeleton": "JAJXTBYRKOCVFF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 15.648, "axes": {"activity": 7.07, "binding": 3.84, "selectivity": 0.0, "admet": 2.24, "novelty": 1.6, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 5.024, "fraction": 0.236}, "binding": {"pIC50": 5.59, "LE": 0.294, "potency_term": 0.196, "efficiency_cap": 0.981}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.635, "per_endpoint": {"solubility-aqsoldb": 0.498, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.973, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.812, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.024222222738883, "aff_pf": 0.41333551208178204, "aff_hs": 0.253803809483846, "repeats_pf": {"runs": 3, "values": [0.2757, 0.5517, 0.4126], "mean": 0.4133, "spread": 0.2759}, "repeats_hs": {"runs": 3, "values": [0.2233, 0.135, 0.4031], "mean": 0.2538, "spread": 0.2681}, "at": 1787288143}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286715, "scored_at": 1787288143, "alerts": [], "rank": 5384}, {"candidate_id": "ODC-8E7CEC", "res_at": 1786852712, "skeleton": "VHVKJPCCGXQAHY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 15.606, "axes": {"activity": 9.43, "binding": 1.23, "selectivity": 0.07, "admet": 1.74, "novelty": 1.7, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.314}, "binding": {"pIC50": 5.18, "LE": 0.309, "potency_term": 0.061, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.054, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.092, "ld50-zhu": 0.37, "herg": 0.509, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 5.165725584495405, "aff_pf": 0.8159825801849365, "aff_hs": 0.9239596724510193, "repeats_pf": {"runs": 3, "values": [0.8429, 0.8135, 0.7916], "mean": 0.816, "spread": 0.0513}, "repeats_hs": {"runs": 3, "values": [0.9782, 0.9536, 0.8401], "mean": 0.924, "spread": 0.1381}, "at": 1786852712}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847535, "scored_at": 1786852712, "alerts": [], "rank": 5385}, {"candidate_id": "ODC-7EF73E", "res_at": 1786955073, "skeleton": "QEYQWHDUDYKOQI", "hf_user": "takutoyo", "display_name": "PfD2-A3", "model_name": "claude-opus-5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 15.603, "axes": {"activity": 10.0, "binding": 1.01, "selectivity": 0.39, "admet": 1.62, "novelty": 1.56, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.2, "fraction": 0.333}, "binding": {"pIC50": 5.22, "LE": 0.204, "potency_term": 0.074, "efficiency_cap": 0.681}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.074}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.206, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.862, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.532, "novelty": 0.468}, "synthesis": {"sa_score": 3.85}}, "run": {"gpu": "3", "pAct_q10": 5.2002066847904365, "aff_pf": 0.7786286075909933, "aff_hs": 1.3047264019648235, "repeats_pf": {"runs": 3, "values": [0.8457, 0.7258, 0.7644], "mean": 0.7786, "spread": 0.12}, "repeats_hs": {"runs": 3, "values": [1.4223, 1.2388, 1.2531], "mean": 1.3047, "spread": 0.1836}, "at": 1786955073}, "tier": 1, "relegate_reason": [], "submitted_at": 1786950145, "scored_at": 1786955073, "alerts": [], "rank": 5386}, {"candidate_id": "ODC-457F25", "res_at": 1786989889, "skeleton": "AMEZHGWCVYKXNZ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(=··········)nn1C", "total": 15.596, "axes": {"activity": 6.57, "binding": 4.81, "selectivity": 0.0, "admet": 1.85, "novelty": 1.58, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.994, "fraction": 0.219}, "binding": {"pIC50": 5.77, "LE": 0.282, "potency_term": 0.256, "efficiency_cap": 0.941}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.256}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.964, "herg": 0.088, "dili": 0.303}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.74}}, "run": {"gpu": "3", "pAct_q10": 4.9944572517234676, "aff_pf": 0.2332340826590856, "aff_hs": 0.0028340667486190796, "repeats_pf": {"runs": 3, "values": [0.2299, 0.2055, 0.2643], "mean": 0.2332, "spread": 0.0587}, "repeats_hs": {"runs": 3, "values": [-0.0391, -0.0118, 0.0594], "mean": 0.0028, "spread": 0.0985}, "at": 1786989889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786986806, "scored_at": 1786989889, "alerts": [], "rank": 5387}, {"candidate_id": "ODC-633C4B", "res_at": 1787080119, "skeleton": "FQVUIOSPKWQHJV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN=S(=O··········C1CC1", "total": 15.549, "axes": {"activity": 9.12, "binding": 0.92, "selectivity": 0.0, "admet": 2.58, "novelty": 2.23, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 5.147, "fraction": 0.304}, "binding": {"pIC50": 4.73, "LE": 0.27, "potency_term": 0.051, "efficiency_cap": 0.9}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.568, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.616, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 4.39}}, "run": {"gpu": "3", "pAct_q10": 5.147080058596618, "aff_pf": 1.269852598508199, "aff_hs": 1.2684638500213623, "repeats_pf": {"runs": 3, "values": [1.1745, 1.338, 1.2971], "mean": 1.2699, "spread": 0.1635}, "repeats_hs": {"runs": 3, "values": [1.2275, 1.2526, 1.3253], "mean": 1.2685, "spread": 0.0978}, "at": 1787080119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068735, "scored_at": 1787080119, "alerts": [], "rank": 5388}, {"candidate_id": "ODC-70176D", "res_at": 1787133404, "skeleton": "BBHJIGUDGDNNDT", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 15.542, "axes": {"activity": 4.87, "binding": 5.05, "selectivity": 0.57, "admet": 2.11, "novelty": 1.67, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 4.892, "fraction": 0.162}, "binding": {"pIC50": 5.76, "LE": 0.359, "potency_term": 0.253, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.253}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.988, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.59, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.409, "herg": 0.502, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.892218448884681, "aff_pf": 0.24236987034479776, "aff_hs": 0.4699106514453888, "repeats_pf": {"runs": 3, "values": [0.0646, 0.4198, 0.2427], "mean": 0.2424, "spread": 0.3552}, "repeats_hs": {"runs": 3, "values": [0.4849, 0.3903, 0.5346], "mean": 0.4699, "spread": 0.1443}, "at": 1787133404}, "tier": 1, "relegate_reason": [], "submitted_at": 1787126815, "scored_at": 1787133404, "alerts": [], "rank": 5389}, {"candidate_id": "ODC-1D39B5", "res_at": 1786983402, "skeleton": "JCNJAWQFMBHSJG", "hf_user": "1Dmeds", "display_name": "ODC26-R7A-09", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 15.502, "axes": {"activity": 8.28, "binding": 1.99, "selectivity": 0.0, "admet": 2.33, "novelty": 1.71, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.097, "fraction": 0.276}, "binding": {"pIC50": 5.3, "LE": 0.302, "potency_term": 0.1, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.1}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.262, "cyp3a4-substrate-carbonmangels": 0.812, "ld50-zhu": 0.503, "herg": 0.665, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.096506934763079, "aff_pf": 0.7009191513061523, "aff_hs": 0.4867453376452128, "repeats_pf": {"runs": 3, "values": [0.6203, 0.7647, 0.7177], "mean": 0.7009, "spread": 0.1443}, "repeats_hs": {"runs": 3, "values": [0.4892, 0.4777, 0.4933], "mean": 0.4867, "spread": 0.0156}, "at": 1786983402}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979578, "scored_at": 1786983402, "alerts": [], "rank": 5390}, {"candidate_id": "ODC-4AB914", "res_at": 1787200287, "skeleton": "NHWDSLHFJDFWOA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "SAR-08-Core-Me", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········2)cn1", "total": 15.494, "axes": {"activity": 8.79, "binding": 1.34, "selectivity": 0.0, "admet": 2.46, "novelty": 2.2, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 5.127, "fraction": 0.293}, "binding": {"pIC50": 5.22, "LE": 0.275, "potency_term": 0.073, "efficiency_cap": 0.917}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.073}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.55, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.849, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 4.29}}, "run": {"gpu": "3", "pAct_q10": 5.127216436035567, "aff_pf": 0.7811538378397623, "aff_hs": 0.6803072293599447, "repeats_pf": {"runs": 3, "values": [0.6734, 0.8205, 0.8495], "mean": 0.7812, "spread": 0.1761}, "repeats_hs": {"runs": 3, "values": [0.701, 0.8075, 0.5325], "mean": 0.6803, "spread": 0.275}, "at": 1787200287}, "tier": 1, "relegate_reason": [], "submitted_at": 1787195620, "scored_at": 1787200287, "alerts": [], "rank": 5391}, {"candidate_id": "ODC-F025C8", "res_at": 1787287762, "skeleton": "LKRSKIDKLTXHEA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 15.492, "axes": {"activity": 8.37, "binding": 1.69, "selectivity": 0.0, "admet": 2.32, "novelty": 2.01, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.102, "fraction": 0.279}, "binding": {"pIC50": 4.97, "LE": 0.272, "potency_term": 0.093, "efficiency_cap": 0.908}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.589, "caco2-wang": 0.877, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.874, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.493, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.102021949661282, "aff_pf": 1.0294107993443806, "aff_hs": 0.974420408407847, "repeats_pf": {"runs": 3, "values": [1.0081, 1.0068, 1.0733], "mean": 1.0294, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [0.8086, 0.9075, 1.2072], "mean": 0.9744, "spread": 0.3986}, "at": 1787287762}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286698, "scored_at": 1787287762, "alerts": [], "rank": 5392}, {"candidate_id": "ODC-CFFE14", "res_at": 1786811575, "skeleton": "YBFMXCZFUVAVPP", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········c1C#N", "total": 15.479, "axes": {"activity": 2.99, "binding": 5.4, "selectivity": 2.1, "admet": 1.75, "novelty": 1.88, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 4.599, "fraction": 0.1}, "binding": {"pIC50": 5.81, "LE": 0.398, "potency_term": 0.27, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.0, "selectivity_term": 0.389, "target_engagement": 0.27}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.297, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.339, "herg": 0.491, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "3", "pAct_q10": 4.598880317886683, "aff_pf": 0.18940043449401855, "aff_hs": 0.9668131669362386, "repeats_pf": {"runs": 3, "values": [0.1436, 0.1775, 0.2471], "mean": 0.1894, "spread": 0.1035}, "repeats_hs": {"runs": 3, "values": [0.9029, 0.9573, 1.0402], "mean": 0.9668, "spread": 0.1372}, "at": 1786811575}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789476, "scored_at": 1786811575, "alerts": [], "rank": 5393}, {"candidate_id": "ODC-4CAB15", "res_at": 1787215005, "skeleton": "VKBZFCRJFDUQDL", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 15.454, "axes": {"activity": 9.7, "binding": 0.27, "selectivity": 0.08, "admet": 1.65, "novelty": 2.26, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 5.182, "fraction": 0.323}, "binding": {"pIC50": 5.05, "LE": 0.239, "potency_term": 0.017, "efficiency_cap": 0.795}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.017}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.722, "ld50-zhu": 0.526, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.182058308045524, "aff_pf": 0.9484487771987915, "aff_hs": 1.4376517136891682, "repeats_pf": {"runs": 3, "values": [0.9447, 1.0279, 0.8728], "mean": 0.9484, "spread": 0.1551}, "repeats_hs": {"runs": 3, "values": [1.409, 1.3824, 1.5216], "mean": 1.4377, "spread": 0.1392}, "at": 1787215005}, "tier": 1, "relegate_reason": [], "submitted_at": 1787213663, "scored_at": 1787215005, "alerts": [], "rank": 5394}, {"candidate_id": "ODC-528E54", "res_at": 1789629885, "skeleton": "ASUOIFQQSOTHNL", "hf_user": "Bio-JS", "display_name": "0917-S1-div02", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 15.453, "axes": {"activity": 8.93, "binding": 1.02, "selectivity": 0.0, "admet": 2.48, "novelty": 1.76, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.136, "fraction": 0.298}, "binding": {"pIC50": 4.74, "LE": 0.295, "potency_term": 0.052, "efficiency_cap": 0.983}, "selectivity": {"fold": 3.6, "selectivity_term": 0.277, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.583, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.654, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.521, "herg": 0.523, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "0", "pAct_q10": 5.135522438452691, "aff_pf": 1.2643083731333415, "aff_hs": 1.818096399307251, "repeats_pf": {"runs": 3, "values": [1.2959, 1.2104, 1.2866], "mean": 1.2643, "spread": 0.0856}, "repeats_hs": {"runs": 3, "values": [1.7893, 1.7763, 1.8887], "mean": 1.8181, "spread": 0.1125}, "at": 1789629885}, "tier": 1, "alerts": [], "total_sd": 0.062, "total_ci95": [15.377, 15.613], "relegate_reason": [], "submitted_at": 1789628546, "scored_at": 1789629885, "rank": 5395}, {"candidate_id": "ODC-4C8167", "res_at": 1786864232, "skeleton": "VVXPQSBOQPOOEG", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········(F)c1", "total": 15.447, "axes": {"activity": 6.13, "binding": 4.46, "selectivity": 1.08, "admet": 1.5, "novelty": 1.37, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 4.968, "fraction": 0.204}, "binding": {"pIC50": 5.67, "LE": 0.324, "potency_term": 0.223, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.241, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.406, "herg": 0.376, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "2", "pAct_q10": 4.968086431386949, "aff_pf": 0.330298791329066, "aff_hs": 0.8122848272323608, "repeats_pf": {"runs": 3, "values": [0.3175, 0.264, 0.4094], "mean": 0.3303, "spread": 0.1453}, "repeats_hs": {"runs": 3, "values": [0.8078, 0.7221, 0.9069], "mean": 0.8123, "spread": 0.1848}, "at": 1786864232}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855390, "scored_at": 1786864232, "alerts": [], "rank": 5396}, {"candidate_id": "ODC-121BB8", "res_at": 1786960593, "skeleton": "XGAZEWDMAZUUEA", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 15.42, "axes": {"activity": 8.55, "binding": 1.24, "selectivity": 0.17, "admet": 2.21, "novelty": 1.83, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 5.113, "fraction": 0.285}, "binding": {"pIC50": 5.19, "LE": 0.323, "potency_term": 0.062, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.136, "target_engagement": 0.062}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.521, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.544, "herg": 0.05, "dili": 0.241}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.113172209495132, "aff_pf": 0.8143127163251241, "aff_hs": 1.0869181354840596, "repeats_pf": {"runs": 3, "values": [0.8194, 0.7767, 0.8469], "mean": 0.8143, "spread": 0.0702}, "repeats_hs": {"runs": 3, "values": [0.9942, 1.1285, 1.1381], "mean": 1.0869, "spread": 0.1439}, "at": 1786960593}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959798, "scored_at": 1786960593, "alerts": [], "rank": 5397}, {"candidate_id": "ODC-A7EC7C", "res_at": 1786874687, "skeleton": "WLJSQVUSNNQGSN", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)cc12", "total": 15.408, "axes": {"activity": 8.5, "binding": 1.24, "selectivity": 0.0, "admet": 2.56, "novelty": 1.75, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.11, "fraction": 0.283}, "binding": {"pIC50": 4.86, "LE": 0.266, "potency_term": 0.07, "efficiency_cap": 0.887}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.467, "ld50-zhu": 0.847, "herg": 0.57, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "2", "pAct_q10": 5.110099489201121, "aff_pf": 1.1441762049992878, "aff_hs": 0.6924870610237122, "repeats_pf": {"runs": 3, "values": [1.2049, 1.1097, 1.118], "mean": 1.1442, "spread": 0.0952}, "repeats_hs": {"runs": 3, "values": [0.7333, 0.6681, 0.6761], "mean": 0.6925, "spread": 0.0652}, "at": 1786874687}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866944, "scored_at": 1786874687, "alerts": [], "rank": 5398}, {"candidate_id": "ODC-CABCC9", "res_at": 1789495049, "skeleton": "QHOQAINVLZDWRB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)c1F", "total": 15.401, "axes": {"activity": 3.14, "binding": 6.18, "selectivity": 0.35, "admet": 1.93, "novelty": 2.41, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 4.789, "fraction": 0.105}, "binding": {"pIC50": 5.95, "LE": 0.291, "potency_term": 0.318, "efficiency_cap": 0.971}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.318}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.409, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.517, "herg": 0.187, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.22, "novelty": 0.78}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "0", "pAct_q10": 4.788634499380958, "aff_pf": 0.04530267914136251, "aff_hs": 0.15544651945432028, "repeats_pf": {"runs": 3, "values": [0.007, -0.0772, 0.206], "mean": 0.0453, "spread": 0.2832}, "repeats_hs": {"runs": 3, "values": [0.1095, 0.186, 0.1708], "mean": 0.1554, "spread": 0.0765}, "at": 1789495049}, "tier": 1, "alerts": [], "total_sd": 1.139, "total_ci95": [13.704, 17.69], "relegate_reason": [], "submitted_at": 1789490759, "scored_at": 1789495049, "rank": 5399}, {"candidate_id": "ODC-05E9FD", "res_at": 1788094409, "skeleton": "RZADEQKOYWAOAB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········)c2n1", "total": 15.379, "axes": {"activity": 7.91, "binding": 1.99, "selectivity": 0.47, "admet": 2.1, "novelty": 1.61, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.075, "fraction": 0.264}, "binding": {"pIC50": 5.3, "LE": 0.302, "potency_term": 0.1, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.234, "target_engagement": 0.1}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.558, "herg": 0.365, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 5.074826472238969, "aff_pf": 0.7013606627782186, "aff_hs": 1.1692920128504436, "repeats_pf": {"runs": 3, "values": [0.7349, 0.6785, 0.6907], "mean": 0.7014, "spread": 0.0564}, "repeats_hs": {"runs": 3, "values": [1.1961, 1.1171, 1.1947], "mean": 1.1693, "spread": 0.079}, "at": 1788094409}, "tier": 1, "alerts": [], "total_sd": 0.135, "total_ci95": [15.073, 15.581], "relegate_reason": [], "submitted_at": 1788081315, "scored_at": 1788094409, "rank": 5400}, {"candidate_id": "ODC-21F90C", "res_at": 1786863670, "skeleton": "IBVJDPNNGSNKPJ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········cnc21", "total": 15.354, "axes": {"activity": 5.25, "binding": 5.29, "selectivity": 0.0, "admet": 1.9, "novelty": 1.83, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.915, "fraction": 0.175}, "binding": {"pIC50": 5.79, "LE": 0.305, "potency_term": 0.264, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.684, "cyp3a4-substrate-carbonmangels": 0.24, "ld50-zhu": 0.583, "herg": 0.124, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "2", "pAct_q10": 4.91499686979093, "aff_pf": 0.20691083371639252, "aff_hs": 0.012032339970270792, "repeats_pf": {"runs": 3, "values": [0.1612, 0.1849, 0.2747], "mean": 0.2069, "spread": 0.1135}, "repeats_hs": {"runs": 3, "values": [0.0567, -0.0338, 0.0132], "mean": 0.012, "spread": 0.0905}, "at": 1786863670}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855386, "scored_at": 1786863670, "alerts": [], "rank": 5401}, {"candidate_id": "ODC-B20991", "res_at": 1789960060, "skeleton": "RILCHVNAPUGWCX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 15.35, "axes": {"activity": 9.6, "binding": 0.83, "selectivity": 0.0, "admet": 1.63, "novelty": 1.68, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.176, "fraction": 0.32}, "binding": {"pIC50": 4.81, "LE": 0.2, "potency_term": 0.063, "efficiency_cap": 0.666}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.585, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "0", "pAct_q10": 5.176200477878892, "aff_pf": 1.1872403621673584, "aff_hs": 0.9055206378300985, "repeats_pf": {"runs": 3, "values": [1.0355, 1.3303, 1.1959], "mean": 1.1872, "spread": 0.2948}, "repeats_hs": {"runs": 3, "values": [0.894, 0.9676, 0.855], "mean": 0.9055, "spread": 0.1126}, "at": 1789960060}, "tier": 1, "alerts": [], "total_sd": 0.155, "total_ci95": [15.081, 15.604], "relegate_reason": [], "submitted_at": 1789907455, "scored_at": 1789960060, "rank": 5402}, {"candidate_id": "ODC-598C79", "res_at": 1787871674, "skeleton": "SISAKHDMOGUGDN", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(CC1C··········F)CC1", "total": 15.333, "axes": {"activity": 2.87, "binding": 5.48, "selectivity": 0.86, "admet": 3.06, "novelty": 1.95, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 4.582, "fraction": 0.096}, "binding": {"pIC50": 5.82, "LE": 0.363, "potency_term": 0.274, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.157, "target_engagement": 0.274}, "admet": {"geometric_mean": 0.744, "per_endpoint": {"solubility-aqsoldb": 0.828, "caco2-wang": 0.963, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.303, "ld50-zhu": 0.701, "herg": 0.324, "dili": 0.384}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 4.581848301765672, "aff_pf": 0.17822113633155823, "aff_hs": 0.4913424849510193, "repeats_pf": {"runs": 3, "values": [0.2095, 0.1301, 0.1951], "mean": 0.1782, "spread": 0.0793}, "repeats_hs": {"runs": 3, "values": [0.503, 0.5016, 0.4694], "mean": 0.4913, "spread": 0.0336}, "at": 1787865242}, "tier": 1, "relegate_reason": [], "submitted_at": 1787812204, "scored_at": 1787865242, "alerts": [], "rank": 5403}, {"candidate_id": "ODC-FB7263", "res_at": 1787235561, "skeleton": "QEHIEDHUSLEKOQ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········]c1=O", "total": 15.328, "axes": {"activity": 8.94, "binding": 1.78, "selectivity": 0.0, "admet": 1.24, "novelty": 2.1, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.137, "fraction": 0.298}, "binding": {"pIC50": 5.4, "LE": 0.2, "potency_term": 0.134, "efficiency_cap": 0.667}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.134}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.803, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 5.13654385010422, "aff_pf": 0.5992586115996043, "aff_hs": 0.2713310271501541, "repeats_pf": {"runs": 3, "values": [0.7217, 0.0815, 0.9946], "mean": 0.5993, "spread": 0.9131}, "repeats_hs": {"runs": 3, "values": [0.2885, 0.1917, 0.3338], "mean": 0.2713, "spread": 0.1422}, "at": 1787235561}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232161, "scored_at": 1787235561, "alerts": [], "rank": 5404}, {"candidate_id": "ODC-A8D4AB", "res_at": 1787190889, "skeleton": "LVPDDIXLHHWDEU", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cn1", "total": 15.326, "axes": {"activity": 9.22, "binding": 0.09, "selectivity": 0.0, "admet": 2.68, "novelty": 2.11, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.153, "fraction": 0.307}, "binding": {"pIC50": 5.01, "LE": 0.286, "potency_term": 0.005, "efficiency_cap": 0.954}, "selectivity": {"fold": 1.1, "selectivity_term": 0.012, "target_engagement": 0.005}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.585, "caco2-wang": 0.933, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 5.153112861371457, "aff_pf": 0.985386331876119, "aff_hs": 1.0098230044047039, "repeats_pf": {"runs": 3, "values": [0.964, 1.013, 0.9791], "mean": 0.9854, "spread": 0.049}, "repeats_hs": {"runs": 3, "values": [1.0733, 0.8284, 1.1277], "mean": 1.0098, "spread": 0.2993}, "at": 1787190889}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188690, "scored_at": 1787190889, "alerts": [], "rank": 5405}, {"candidate_id": "ODC-0A97CF", "res_at": 1789240515, "skeleton": "NSRYGQJGFWHUHT", "hf_user": "Bio-JS", "display_name": "0913-S1-div20", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Cl", "total": 15.315, "axes": {"activity": 7.33, "binding": 3.24, "selectivity": 0.23, "admet": 2.21, "novelty": 1.18, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.04, "fraction": 0.244}, "binding": {"pIC50": 5.49, "LE": 0.358, "potency_term": 0.162, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.072, "target_engagement": 0.162}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.522, "caco2-wang": 0.682, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.938, "cyp3a4-substrate-carbonmangels": 0.536, "ld50-zhu": 0.425, "herg": 0.893, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.039930418697676, "aff_pf": 0.5147051513195038, "aff_hs": 0.6588770548502604, "repeats_pf": {"runs": 3, "values": [0.5399, 0.4528, 0.5514], "mean": 0.5147, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [0.702, 0.8084, 0.4662], "mean": 0.6589, "spread": 0.3422}, "at": 1789240515}, "tier": 1, "alerts": [], "total_sd": 0.256, "total_ci95": [14.913, 15.936], "relegate_reason": [], "submitted_at": 1789226359, "scored_at": 1789240515, "rank": 5406}, {"candidate_id": "ODC-7E422C", "res_at": 1787891799, "skeleton": "LMCKVLBQOMLDCP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-19", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc2··········)n2n1", "total": 15.296, "axes": {"activity": 6.97, "binding": 4.73, "selectivity": 0.0, "admet": 1.25, "novelty": 1.35, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.018, "fraction": 0.232}, "binding": {"pIC50": 5.83, "LE": 0.258, "potency_term": 0.276, "efficiency_cap": 0.858}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.276}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.446, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.224, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.0182842331504105, "aff_pf": 0.1729474514722824, "aff_hs": -0.024078855911890667, "repeats_pf": {"runs": 3, "values": [0.0565, 0.1318, 0.3306], "mean": 0.1729, "spread": 0.2741}, "repeats_hs": {"runs": 3, "values": [-0.1834, 0.0659, 0.0453], "mean": -0.0241, "spread": 0.2494}, "at": 1787891799}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841300, "scored_at": 1787891799, "alerts": [], "rank": 5407}, {"candidate_id": "ODC-28828E", "res_at": 1786772518, "skeleton": "NXIBIAKBDUVPII", "hf_user": "ALEX32321", "display_name": "ALEXAI-OC-B1-PyrazoloHop", "model_name": "OpenCrab-ALEXAI candidate panel v0.1", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 15.26, "axes": {"activity": 8.77, "binding": 1.56, "selectivity": 0.14, "admet": 1.84, "novelty": 1.6, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.126, "fraction": 0.292}, "binding": {"pIC50": 5.23, "LE": 0.312, "potency_term": 0.078, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.091, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.387, "herg": 0.456, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.126240977284604, "aff_pf": 0.766670823097229, "aff_hs": 0.948844313621521, "at": 1786772518}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771365, "scored_at": 1786772518, "alerts": [], "rank": 5408}, {"candidate_id": "ODC-ECDE8B", "res_at": 1787188079, "skeleton": "OKQQEMOWHQGRIL", "hf_user": "Ku-ku", "display_name": "XT_MAL_W2", "model_name": "manual-crosstrack", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········cncc1", "total": 15.255, "axes": {"activity": 7.42, "binding": 4.2, "selectivity": 0.0, "admet": 0.99, "novelty": 1.41, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.045, "fraction": 0.247}, "binding": {"pIC50": 5.66, "LE": 0.287, "potency_term": 0.22, "efficiency_cap": 0.957}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.738, "ld50-zhu": 0.327, "herg": 0.05, "dili": 0.097}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 1.88}}, "run": {"gpu": "3", "pAct_q10": 5.0449711193179265, "aff_pf": 0.34113698204358417, "aff_hs": 0.3315905233224233, "repeats_pf": {"runs": 3, "values": [0.4292, 0.2648, 0.3294], "mean": 0.3411, "spread": 0.1644}, "repeats_hs": {"runs": 3, "values": [0.3131, 0.31, 0.3717], "mean": 0.3316, "spread": 0.0617}, "at": 1787188079}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184192, "scored_at": 1787188079, "alerts": [], "rank": 5409}, {"candidate_id": "ODC-0A8BD7", "res_at": 1789337667, "skeleton": "CVSKMOQEDYHEDR", "hf_user": "trblnfxn", "display_name": "NOVEL-IndolizineCarbox", "model_name": "Hermes-Novel-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cn2c1", "total": 15.244, "axes": {"activity": 2.02, "binding": 6.17, "selectivity": 1.44, "admet": 2.29, "novelty": 1.78, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 4.442, "fraction": 0.067}, "binding": {"pIC50": 5.93, "LE": 0.353, "potency_term": 0.309, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.233, "target_engagement": 0.309}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.13, "caco2-wang": 0.964, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.652, "ld50-zhu": 0.465, "herg": 0.59, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "0", "pAct_q10": 4.441905997715599, "aff_pf": 0.07404183844725291, "aff_hs": 0.5403640866279602, "repeats_pf": {"runs": 3, "values": [0.0261, 0.1506, 0.0454], "mean": 0.074, "spread": 0.1245}, "repeats_hs": {"runs": 3, "values": [0.6062, 0.3932, 0.6218], "mean": 0.5404, "spread": 0.2286}, "at": 1789337667}, "tier": 1, "alerts": [], "total_sd": 0.538, "total_ci95": [14.32, 16.217], "relegate_reason": [], "submitted_at": 1789328205, "scored_at": 1789337667, "rank": 5410}, {"candidate_id": "ODC-BC6238", "res_at": 1787254322, "skeleton": "ILPSTZJWTFBFQN", "hf_user": "kiwoong7548", "display_name": "hey", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNCC··········2)cc1", "total": 15.222, "axes": {"activity": 10.08, "binding": 0.21, "selectivity": 0.0, "admet": 1.57, "novelty": 1.68, "synthesis": 1.68}, "detail": {"activity": {"pAct_q10": 5.205, "fraction": 0.336}, "binding": {"pIC50": 4.21, "LE": 0.222, "potency_term": 0.014, "efficiency_cap": 0.74}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 0.058, "pgp-broccatelli": 0.769, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.215, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 5.204946049679661, "aff_pf": 1.7869744698206584, "aff_hs": 1.3547647794087727, "repeats_pf": {"runs": 3, "values": [1.8684, 1.7165, 1.776], "mean": 1.787, "spread": 0.1518}, "repeats_hs": {"runs": 3, "values": [1.6286, 0.733, 1.7027], "mean": 1.3548, "spread": 0.9696}, "at": 1787254322}, "tier": 1, "relegate_reason": [], "submitted_at": 1787246820, "scored_at": 1787254322, "alerts": [], "rank": 5411}, {"candidate_id": "ODC-E1B463", "res_at": 1789965718, "skeleton": "KLIHGCQWLPYUQL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 15.219, "axes": {"activity": 9.47, "binding": 0.58, "selectivity": 0.0, "admet": 1.77, "novelty": 1.83, "synthesis": 1.58}, "detail": {"activity": {"pAct_q10": 5.168, "fraction": 0.316}, "binding": {"pIC50": 4.68, "LE": 0.194, "potency_term": 0.045, "efficiency_cap": 0.648}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.051, "cyp2c9-veith": 0.127, "cyp3a4-substrate-carbonmangels": 0.702, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.1680871066992715, "aff_pf": 1.31989586353302, "aff_hs": 1.35745902856191, "repeats_pf": {"runs": 3, "values": [1.2309, 1.4872, 1.2416], "mean": 1.3199, "spread": 0.2564}, "repeats_hs": {"runs": 3, "values": [1.2607, 1.4226, 1.3891], "mean": 1.3575, "spread": 0.162}, "at": 1789965718}, "tier": 1, "alerts": [], "total_sd": 0.104, "total_ci95": [15.099, 15.378], "relegate_reason": [], "submitted_at": 1789907443, "scored_at": 1789965718, "rank": 5412}, {"candidate_id": "ODC-282066", "res_at": 1787931098, "skeleton": "VLGOUVCPZSTCFM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········C1CC1", "total": 15.212, "axes": {"activity": 6.74, "binding": 3.47, "selectivity": 0.71, "admet": 2.13, "novelty": 1.21, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 5.004, "fraction": 0.225}, "binding": {"pIC50": 5.52, "LE": 0.329, "potency_term": 0.174, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.174}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.541, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.897, "cyp2c9-veith": 0.921, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.521, "herg": 0.681, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.004182092344719, "aff_pf": 0.4792496661345164, "aff_hs": 0.8884705901145935, "repeats_pf": {"runs": 3, "values": [0.4491, 0.4324, 0.5563], "mean": 0.4792, "spread": 0.1238}, "repeats_hs": {"runs": 3, "values": [0.719, 0.9394, 1.007], "mean": 0.8885, "spread": 0.288}, "at": 1787931098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787906898, "scored_at": 1787931098, "alerts": [], "rank": 5413}, {"candidate_id": "ODC-23353F", "res_at": 1786844544, "skeleton": "GZHQJLKOFNBFIO", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "350-400", "visibility": "public", "smiles": "CNCc1cc(Nc2ccc(Br)c(F)c2)n2c(SC)nnc2n1", "smiles_masked": null, "total": 15.202, "axes": {"activity": 8.64, "binding": 1.12, "selectivity": 0.0, "admet": 2.12, "novelty": 2.03, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.118, "fraction": 0.288}, "binding": {"pIC50": 4.79, "LE": 0.285, "potency_term": 0.059, "efficiency_cap": 0.951}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.6, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.78, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.379, "herg": 0.146, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "1", "pAct_q10": 5.118343428663727, "aff_pf": 1.2102069854736328, "aff_hs": 0.6233185529708862, "repeats_pf": {"runs": 3, "values": [1.2382, 1.1699, 1.2226], "mean": 1.2102, "spread": 0.0683}, "repeats_hs": {"runs": 3, "values": [0.5353, 0.5646, 0.77], "mean": 0.6233, "spread": 0.2347}, "at": 1786844544}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833061, "scored_at": 1786844544, "alerts": [], "rank": 5414}, {"candidate_id": "ODC-7B8F20", "res_at": 1787943849, "skeleton": "BGKKUYVOAGBHFT", "hf_user": "dlghkdueo", "display_name": "SOMANG-D4", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2s1", "total": 15.202, "axes": {"activity": 6.47, "binding": 4.16, "selectivity": 0.56, "admet": 1.73, "novelty": 1.21, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 4.988, "fraction": 0.216}, "binding": {"pIC50": 5.62, "LE": 0.321, "potency_term": 0.208, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.134, "target_engagement": 0.208}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.989, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.722, "ld50-zhu": 0.608, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "3", "pAct_q10": 4.988087584626898, "aff_pf": 0.3757130205631256, "aff_hs": 0.6430530150731405, "repeats_pf": {"runs": 3, "values": [0.3471, 0.4082, 0.3718], "mean": 0.3757, "spread": 0.0611}, "repeats_hs": {"runs": 3, "values": [0.6422, 0.5655, 0.7215], "mean": 0.6431, "spread": 0.156}, "at": 1787943849}, "tier": 1, "relegate_reason": [], "submitted_at": 1787937011, "scored_at": 1787943849, "alerts": [], "rank": 5415}, {"candidate_id": "ODC-F92171", "res_at": 1786797516, "skeleton": "XFJSAKKKSVKJLD", "hf_user": "DOATC", "display_name": "DO/KATA/SD", "model_name": "OpenAI GPT-5.6 쏠", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 15.192, "axes": {"activity": 6.73, "binding": 4.14, "selectivity": 0.91, "admet": 1.55, "novelty": 0.92, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 5.004, "fraction": 0.224}, "binding": {"pIC50": 5.62, "LE": 0.335, "potency_term": 0.207, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.22, "target_engagement": 0.207}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.828, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.561, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.307, "herg": 0.478, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 5.003736373340084, "aff_pf": 0.3795066972573598, "aff_hs": 0.8189397056897482, "repeats_pf": {"runs": 3, "values": [0.3896, 0.3634, 0.3854], "mean": 0.3795, "spread": 0.0262}, "repeats_hs": {"runs": 3, "values": [0.9313, 0.8078, 0.7177], "mean": 0.8189, "spread": 0.2136}, "at": 1786797516}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785070, "scored_at": 1786797516, "alerts": [], "rank": 5416}, {"candidate_id": "ODC-AB4D4A", "res_at": 1786809371, "skeleton": "NOOIFNMJMJYKJD", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········)cn12", "total": 15.186, "axes": {"activity": 7.55, "binding": 2.35, "selectivity": 0.37, "admet": 2.09, "novelty": 1.75, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 5.053, "fraction": 0.252}, "binding": {"pIC50": 5.39, "LE": 0.273, "potency_term": 0.129, "efficiency_cap": 0.911}, "selectivity": {"fold": 1.9, "selectivity_term": 0.143, "target_engagement": 0.129}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.692, "cyp3a4-substrate-carbonmangels": 0.445, "ld50-zhu": 0.515, "herg": 0.05, "dili": 0.581}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 5.052734037747356, "aff_pf": 0.6136282483736674, "aff_hs": 0.8991994857788086, "repeats_pf": {"runs": 3, "values": [0.7283, 0.4898, 0.6227], "mean": 0.6136, "spread": 0.2385}, "repeats_hs": {"runs": 3, "values": [0.8255, 1.0589, 0.8132], "mean": 0.8992, "spread": 0.2457}, "at": 1786809371}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789373, "scored_at": 1786809371, "alerts": [], "rank": 5417}, {"candidate_id": "ODC-5C9D20", "res_at": 1786938270, "skeleton": "AUWAKDRCNFIKDW", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C1NC2··········4)c21", "total": 15.177, "axes": {"activity": 2.61, "binding": 6.48, "selectivity": 0.0, "admet": 2.72, "novelty": 2.58, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.757, "fraction": 0.087}, "binding": {"pIC50": 5.97, "LE": 0.315, "potency_term": 0.324, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.875, "herg": 0.782, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.202, "novelty": 0.798}, "synthesis": {"sa_score": 4.31}}, "run": {"gpu": "3", "pAct_q10": 4.7568977420757985, "aff_pf": 0.028322589894135792, "aff_hs": 0.005660417179266612, "repeats_pf": {"runs": 3, "values": [0.0289, -0.009, 0.0652], "mean": 0.0283, "spread": 0.0742}, "repeats_hs": {"runs": 3, "values": [-0.0445, -0.0749, 0.1364], "mean": 0.0057, "spread": 0.2112}, "at": 1786938270}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933366, "scored_at": 1786938270, "alerts": [], "rank": 5418}, {"candidate_id": "ODC-1A8255", "res_at": 1786938960, "skeleton": "OMISWBUTLCKGLF", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········O)CC1", "total": 15.17, "axes": {"activity": 8.63, "binding": 1.34, "selectivity": 0.0, "admet": 1.98, "novelty": 1.77, "synthesis": 1.44}, "detail": {"activity": {"pAct_q10": 5.118, "fraction": 0.288}, "binding": {"pIC50": 4.95, "LE": 0.226, "potency_term": 0.089, "efficiency_cap": 0.754}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.697, "caco2-wang": 0.238, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.387, "herg": 0.05, "dili": 0.796}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "2", "pAct_q10": 5.118047681952346, "aff_pf": 1.0458544492721558, "aff_hs": 0.597621907790502, "repeats_pf": {"runs": 3, "values": [1.0092, 0.9976, 1.1308], "mean": 1.0459, "spread": 0.1331}, "repeats_hs": {"runs": 3, "values": [0.8463, 0.5943, 0.3523], "mean": 0.5976, "spread": 0.494}, "at": 1786938960}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926671, "scored_at": 1786938960, "alerts": [], "rank": 5419}, {"candidate_id": "ODC-345A70", "res_at": 1789487983, "skeleton": "CPZJBSQYUDBSDN", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Oc··········C1CC1", "total": 15.158, "axes": {"activity": 9.03, "binding": 1.0, "selectivity": 0.07, "admet": 1.6, "novelty": 2.08, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.142, "fraction": 0.301}, "binding": {"pIC50": 5.18, "LE": 0.253, "potency_term": 0.059, "efficiency_cap": 0.844}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.059}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.162, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.914, "herg": 0.05, "dili": 0.937}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "0", "pAct_q10": 5.142086803048806, "aff_pf": 0.8232194582621256, "aff_hs": 0.9349073966344198, "repeats_pf": {"runs": 3, "values": [0.923, 0.8522, 0.6944], "mean": 0.8232, "spread": 0.2286}, "repeats_hs": {"runs": 3, "values": [1.0093, 0.9806, 0.8148], "mean": 0.9349, "spread": 0.1945}, "at": 1789487983}, "tier": 1, "alerts": [], "total_sd": 0.402, "total_ci95": [14.539, 16.115], "relegate_reason": [], "submitted_at": 1789483982, "scored_at": 1789487983, "rank": 5420}, {"candidate_id": "ODC-D1EB12", "res_at": 1786947366, "skeleton": "AMIMBKNDAQSCRT", "hf_user": "takutoyo", "display_name": "PfD-05", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 15.152, "axes": {"activity": 8.84, "binding": 0.93, "selectivity": 0.0, "admet": 2.13, "novelty": 1.8, "synthesis": 1.45}, "detail": {"activity": {"pAct_q10": 5.131, "fraction": 0.295}, "binding": {"pIC50": 4.78, "LE": 0.243, "potency_term": 0.058, "efficiency_cap": 0.808}, "selectivity": {"fold": 1.6, "selectivity_term": 0.106, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.847, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.285, "cyp3a4-substrate-carbonmangels": 0.435, "ld50-zhu": 0.775, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 5.130538682815042, "aff_pf": 1.2199490865071614, "aff_hs": 1.4318016370137532, "repeats_pf": {"runs": 3, "values": [1.2791, 1.199, 1.1817], "mean": 1.2199, "spread": 0.0974}, "repeats_hs": {"runs": 3, "values": [1.4716, 1.4168, 1.4071], "mean": 1.4318, "spread": 0.0645}, "at": 1786947366}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935229, "scored_at": 1786947366, "alerts": [], "rank": 5421}, {"candidate_id": "ODC-94BEFA", "res_at": 1786863857, "skeleton": "XUQACDJJACDBKM", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)c2n1", "total": 15.15, "axes": {"activity": 2.72, "binding": 5.77, "selectivity": 0.98, "admet": 2.56, "novelty": 1.79, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 4.561, "fraction": 0.091}, "binding": {"pIC50": 5.87, "LE": 0.349, "potency_term": 0.289, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.169, "target_engagement": 0.289}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.352, "cyp3a4-substrate-carbonmangels": 0.285, "ld50-zhu": 0.726, "herg": 0.869, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 4.561113171582235, "aff_pf": 0.13399887581666312, "aff_hs": 0.4724867244561513, "repeats_pf": {"runs": 3, "values": [0.0329, 0.2175, 0.1516], "mean": 0.134, "spread": 0.1846}, "repeats_hs": {"runs": 3, "values": [0.475, 0.4695, 0.4729], "mean": 0.4725, "spread": 0.0056}, "at": 1786863857}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855387, "scored_at": 1786863857, "alerts": [], "rank": 5422}, {"candidate_id": "ODC-19EF0B", "res_at": 1787576400, "skeleton": "KJQQBDMWGIZXBV", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 15.147, "axes": {"activity": 7.69, "binding": 3.3, "selectivity": 0.15, "admet": 1.76, "novelty": 1.09, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.061, "fraction": 0.256}, "binding": {"pIC50": 5.49, "LE": 0.314, "potency_term": 0.165, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.165}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.973, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.411, "herg": 0.72, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 5.061185397400057, "aff_pf": 0.5054670870304108, "aff_hs": 0.5987715125083923, "repeats_pf": {"runs": 3, "values": [0.4848, 0.4885, 0.543], "mean": 0.5055, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [0.6705, 0.5812, 0.5446], "mean": 0.5988, "spread": 0.1258}, "at": 1787576400}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575035, "scored_at": 1787576400, "alerts": [], "rank": 5423}, {"candidate_id": "ODC-0152AA", "res_at": 1787918336, "skeleton": "LVTLVWUEOIOWJX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 15.145, "axes": {"activity": 8.82, "binding": 1.19, "selectivity": 0.0, "admet": 1.78, "novelty": 1.99, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.129, "fraction": 0.294}, "binding": {"pIC50": 4.93, "LE": 0.211, "potency_term": 0.084, "efficiency_cap": 0.704}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.602, "hia-hou": 1.0, "bioavailability-ma": 0.507, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.753, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.546, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.129419273852823, "aff_pf": 1.0676404635111492, "aff_hs": 0.7032457391421, "repeats_pf": {"runs": 3, "values": [1.2985, 0.7946, 1.1098], "mean": 1.0676, "spread": 0.5039}, "repeats_hs": {"runs": 3, "values": [0.7807, 0.7664, 0.5626], "mean": 0.7032, "spread": 0.218}, "at": 1787918336}, "tier": 1, "relegate_reason": [], "submitted_at": 1787899344, "scored_at": 1787918336, "alerts": [], "rank": 5424}, {"candidate_id": "ODC-4B52EC", "res_at": 1786891462, "skeleton": "IPELLNCCYFXHOI", "hf_user": "choa712", "display_name": "lucy", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 15.129, "axes": {"activity": 9.72, "binding": 0.6, "selectivity": 0.0, "admet": 1.38, "novelty": 1.81, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 5.183, "fraction": 0.324}, "binding": {"pIC50": 4.6, "LE": 0.243, "potency_term": 0.037, "efficiency_cap": 0.809}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 0.836, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.308, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.379, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 1.87}}, "run": {"gpu": "2", "pAct_q10": 5.183089036544349, "aff_pf": 1.3966145912806194, "aff_hs": 1.289060115814209, "repeats_pf": {"runs": 3, "values": [1.4365, 1.294, 1.4594], "mean": 1.3966, "spread": 0.1654}, "repeats_hs": {"runs": 3, "values": [1.4283, 1.2571, 1.1818], "mean": 1.2891, "spread": 0.2465}, "at": 1786891462}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884120, "scored_at": 1786891462, "alerts": [], "rank": 5425}, {"candidate_id": "ODC-FCA44C", "res_at": 1787552683, "skeleton": "ILGAGCVMCYXILX", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 15.087, "axes": {"activity": 9.99, "binding": 1.21, "selectivity": 0.0, "admet": 1.44, "novelty": 1.66, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 5.199, "fraction": 0.333}, "binding": {"pIC50": 5.26, "LE": 0.212, "potency_term": 0.086, "efficiency_cap": 0.706}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.086}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.379, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.617, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.873, "herg": 0.05, "dili": 0.359}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 5.199391291439806, "aff_pf": 0.7421999375025431, "aff_hs": 0.3615727225939433, "repeats_pf": {"runs": 3, "values": [0.8195, 0.7447, 0.6624], "mean": 0.7422, "spread": 0.157}, "repeats_hs": {"runs": 3, "values": [0.4547, 0.2771, 0.3528], "mean": 0.3616, "spread": 0.1776}, "at": 1787552683}, "tier": 1, "relegate_reason": [], "submitted_at": 1787532664, "scored_at": 1787552683, "alerts": [], "rank": 5426}, {"candidate_id": "ODC-D47BA3", "res_at": 1787289464, "skeleton": "QQTKJIXCXMVLJS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········2)cn1", "total": 15.085, "axes": {"activity": 7.34, "binding": 3.3, "selectivity": 0.0, "admet": 2.05, "novelty": 1.83, "synthesis": 0.56}, "detail": {"activity": {"pAct_q10": 5.04, "fraction": 0.245}, "binding": {"pIC50": 5.51, "LE": 0.29, "potency_term": 0.171, "efficiency_cap": 0.968}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.171}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.557, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.63, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 4.4}}, "run": {"gpu": "3", "pAct_q10": 5.040195060469701, "aff_pf": 0.4880445599555969, "aff_hs": 0.04434825976689657, "repeats_pf": {"runs": 3, "values": [0.5616, 0.5575, 0.3451], "mean": 0.488, "spread": 0.2165}, "repeats_hs": {"runs": 3, "values": [0.2175, -0.4302, 0.3457], "mean": 0.0443, "spread": 0.7759}, "at": 1787289464}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286784, "scored_at": 1787289464, "alerts": [], "rank": 5427}, {"candidate_id": "ODC-3EC972", "res_at": 1786815027, "skeleton": "WHCUIDYCHANAKZ", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 15.06, "axes": {"activity": 3.7, "binding": 5.62, "selectivity": 0.64, "admet": 1.68, "novelty": 2.02, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 4.822, "fraction": 0.123}, "binding": {"pIC50": 5.84, "LE": 0.334, "potency_term": 0.281, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.113, "target_engagement": 0.281}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.993, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.577, "cyp2c9-veith": 0.187, "cyp3a4-substrate-carbonmangels": 0.875, "ld50-zhu": 0.325, "herg": 0.837, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 4.822208299845581, "aff_pf": 0.15667916337649027, "aff_hs": 0.38271455963452655, "repeats_pf": {"runs": 3, "values": [0.2365, 0.1783, 0.0552], "mean": 0.1567, "spread": 0.1813}, "repeats_hs": {"runs": 3, "values": [0.2057, 0.417, 0.5254], "mean": 0.3827, "spread": 0.3197}, "at": 1786815027}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789504, "scored_at": 1786815027, "alerts": [], "rank": 5428}, {"candidate_id": "ODC-7BD1EB", "res_at": 1787066258, "skeleton": "MESIKHKQMVCQKJ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LH04", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 15.042, "axes": {"activity": 7.25, "binding": 4.37, "selectivity": 0.0, "admet": 1.25, "novelty": 1.12, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.035, "fraction": 0.242}, "binding": {"pIC50": 5.73, "LE": 0.271, "potency_term": 0.242, "efficiency_cap": 0.902}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.242}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.333, "ld50-zhu": 0.451, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 5.034810732520339, "aff_pf": 0.2728499174118042, "aff_hs": -0.023202796777089436, "repeats_pf": {"runs": 3, "values": [0.3258, 0.3173, 0.1754], "mean": 0.2728, "spread": 0.1504}, "repeats_hs": {"runs": 3, "values": [-0.0858, 0.0778, -0.0616], "mean": -0.0232, "spread": 0.1636}, "at": 1787066258}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064681, "scored_at": 1787066258, "alerts": [], "rank": 5429}, {"candidate_id": "ODC-1F9CEE", "res_at": 1787121055, "skeleton": "HDMVCMSGPBAXEP", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ncc(··········2)cn1", "total": 15.031, "axes": {"activity": 7.41, "binding": 3.76, "selectivity": 0.0, "admet": 1.15, "novelty": 1.81, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 5.045, "fraction": 0.247}, "binding": {"pIC50": 5.73, "LE": 0.231, "potency_term": 0.244, "efficiency_cap": 0.77}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.244}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.42, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.153, "cyp2c9-veith": 0.801, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.331, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 5.044861956644254, "aff_pf": 0.26770220696926117, "aff_hs": 0.12569456920027733, "repeats_pf": {"runs": 3, "values": [0.2184, 0.2538, 0.3309], "mean": 0.2677, "spread": 0.1125}, "repeats_hs": {"runs": 3, "values": [0.04, 0.2546, 0.0825], "mean": 0.1257, "spread": 0.2145}, "at": 1787121055}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102480, "scored_at": 1787121055, "alerts": [], "rank": 5430}, {"candidate_id": "ODC-89AD9C", "res_at": 1787013576, "skeleton": "IGMWKKHDGGHHGQ", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········#N)c1", "total": 15.024, "axes": {"activity": 10.13, "binding": 0.38, "selectivity": 0.0, "admet": 1.93, "novelty": 1.13, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.208, "fraction": 0.338}, "binding": {"pIC50": 5.07, "LE": 0.257, "potency_term": 0.022, "efficiency_cap": 0.857}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.749, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.205, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.207966707617476, "aff_pf": 0.9341029723485311, "aff_hs": -0.1550497810045878, "repeats_pf": {"runs": 3, "values": [1.001, 0.9822, 0.8191], "mean": 0.9341, "spread": 0.182}, "repeats_hs": {"runs": 3, "values": [-0.1232, -0.198, -0.144], "mean": -0.155, "spread": 0.0747}, "at": 1787013576}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013247, "scored_at": 1787013576, "alerts": [], "rank": 5431}, {"candidate_id": "ODC-0B905B", "res_at": 1786977363, "skeleton": "WYGIONLWZZMZAA", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOCCNC··········cccc1", "total": 15.003, "axes": {"activity": 8.6, "binding": 0.19, "selectivity": 0.0, "admet": 3.02, "novelty": 1.88, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.116, "fraction": 0.287}, "binding": {"pIC50": 4.14, "LE": 0.246, "potency_term": 0.012, "efficiency_cap": 0.821}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.701, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 0.892, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.466, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.115988345754636, "aff_pf": 1.8647188345591228, "aff_hs": 1.8804675738016765, "repeats_pf": {"runs": 3, "values": [1.8705, 1.785, 1.9387], "mean": 1.8647, "spread": 0.1537}, "repeats_hs": {"runs": 3, "values": [1.8295, 1.9448, 1.8671], "mean": 1.8805, "spread": 0.1153}, "at": 1786977363}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975790, "scored_at": 1786977363, "alerts": [], "rank": 5432}, {"candidate_id": "ODC-77A5F9", "res_at": 1789956979, "skeleton": "RLPVGCJDVUWSDB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "Claude Opus 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 14.99, "axes": {"activity": 9.31, "binding": 0.08, "selectivity": 0.0, "admet": 2.16, "novelty": 2.23, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.158, "fraction": 0.31}, "binding": {"pIC50": 5.02, "LE": 0.196, "potency_term": 0.006, "efficiency_cap": 0.655}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.006}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 0.316, "pgp-broccatelli": 0.091, "cyp2c9-veith": 0.608, "cyp3a4-substrate-carbonmangels": 0.602, "ld50-zhu": 1.0, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 5.158451904919412, "aff_pf": 0.9818029602368673, "aff_hs": 0.7364631692568461, "repeats_pf": {"runs": 3, "values": [1.4975, 0.6342, 0.8136], "mean": 0.9818, "spread": 0.8633}, "repeats_hs": {"runs": 3, "values": [0.3774, 0.9508, 0.8812], "mean": 0.7365, "spread": 0.5735}, "at": 1789956979}, "tier": 1, "alerts": [], "total_sd": 0.517, "total_ci95": [14.99, 16.743], "relegate_reason": [], "submitted_at": 1789863697, "scored_at": 1789956979, "rank": 5433}, {"candidate_id": "ODC-48BFB1", "res_at": 1786872274, "skeleton": "WVKQCBOJWPHECT", "hf_user": "DOATC", "display_name": "SOL_RETAKE_07", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 14.983, "axes": {"activity": 6.76, "binding": 4.9, "selectivity": 0.0, "admet": 1.32, "novelty": 0.95, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.006, "fraction": 0.225}, "binding": {"pIC50": 5.74, "LE": 0.327, "potency_term": 0.245, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.245}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.815, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "2", "pAct_q10": 5.005565112849971, "aff_pf": 0.26441943645477295, "aff_hs": -0.05468979477882385, "repeats_pf": {"runs": 3, "values": [0.2943, 0.2243, 0.2747], "mean": 0.2644, "spread": 0.0701}, "repeats_hs": {"runs": 3, "values": [-0.2065, -0.0506, 0.093], "mean": -0.0547, "spread": 0.2995}, "at": 1786872274}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865964, "scored_at": 1786872274, "alerts": [], "rank": 5434}, {"candidate_id": "ODC-C60139", "res_at": 1786836087, "skeleton": "KTGMOPDCGAEXBS", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 14.983, "axes": {"activity": 7.36, "binding": 3.16, "selectivity": 0.0, "admet": 2.07, "novelty": 1.33, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 5.041, "fraction": 0.245}, "binding": {"pIC50": 5.47, "LE": 0.326, "potency_term": 0.158, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.834, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.512, "cyp3a4-substrate-carbonmangels": 0.275, "ld50-zhu": 0.71, "herg": 0.542, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.041435000273081, "aff_pf": 0.5255073706309, "aff_hs": 0.4081410268942515, "repeats_pf": {"runs": 3, "values": [0.5505, 0.4861, 0.5399], "mean": 0.5255, "spread": 0.0644}, "repeats_hs": {"runs": 3, "values": [0.3781, 0.3548, 0.4915], "mean": 0.4081, "spread": 0.1367}, "at": 1786836087}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804210, "scored_at": 1786836087, "alerts": [], "rank": 5435}, {"candidate_id": "ODC-4F14F1", "res_at": 1787941433, "skeleton": "QOMDTEJCUYVJOY", "hf_user": "dlghkdueo", "display_name": "SOMANG-B3", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········cnc21", "total": 14.942, "axes": {"activity": 7.06, "binding": 3.5, "selectivity": 0.0, "admet": 1.69, "novelty": 1.52, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.024, "fraction": 0.235}, "binding": {"pIC50": 5.54, "LE": 0.292, "potency_term": 0.18, "efficiency_cap": 0.973}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.478, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.464, "cyp3a4-substrate-carbonmangels": 0.08, "ld50-zhu": 0.467, "herg": 0.333, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 5.023755379329854, "aff_pf": 0.46094977855682373, "aff_hs": 0.23149304588635763, "repeats_pf": {"runs": 3, "values": [0.4151, 0.3496, 0.6181], "mean": 0.4609, "spread": 0.2686}, "repeats_hs": {"runs": 3, "values": [0.2957, 0.1516, 0.2472], "mean": 0.2315, "spread": 0.144}, "at": 1787941433}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936768, "scored_at": 1787941433, "alerts": [], "rank": 5436}, {"candidate_id": "ODC-175935", "res_at": 1787573506, "skeleton": "ASALUORKNSIFTH", "hf_user": "Moonweave", "display_name": "M5AI-SH-S2", "model_name": "OpenAI Codex — scaffold-hop diagnostic", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········[nH]1", "total": 14.941, "axes": {"activity": 9.13, "binding": 0.91, "selectivity": 0.0, "admet": 2.0, "novelty": 1.38, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 5.148, "fraction": 0.304}, "binding": {"pIC50": 4.73, "LE": 0.27, "potency_term": 0.05, "efficiency_cap": 0.899}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 0.8, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.471, "ld50-zhu": 0.285, "herg": 0.092, "dili": 0.502}}, "novelty": {"max_tanimoto": 0.545, "novelty": 0.455}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 5.147836218157519, "aff_pf": 1.2736443281173706, "aff_hs": 1.1977716286977131, "repeats_pf": {"runs": 3, "values": [1.3039, 1.2852, 1.2319], "mean": 1.2736, "spread": 0.072}, "repeats_hs": {"runs": 3, "values": [1.1039, 1.2882, 1.2012], "mean": 1.1978, "spread": 0.1843}, "at": 1787573506}, "tier": 1, "relegate_reason": [], "submitted_at": 1787573141, "scored_at": 1787573506, "alerts": [], "rank": 5437}, {"candidate_id": "ODC-9E18D1", "res_at": 1787238904, "skeleton": "ZDVVMAXQCDTJKA", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1c(-··········)cc12", "total": 14.922, "axes": {"activity": 5.29, "binding": 5.1, "selectivity": 0.35, "admet": 1.16, "novelty": 1.81, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 4.917, "fraction": 0.176}, "binding": {"pIC50": 5.93, "LE": 0.246, "potency_term": 0.311, "efficiency_cap": 0.821}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.311}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.553, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.729, "herg": 0.05, "dili": 0.324}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 4.917447525300194, "aff_pf": 0.06740428507328033, "aff_hs": 0.17957725127538046, "repeats_pf": {"runs": 3, "values": [0.0526, 0.1361, 0.0135], "mean": 0.0674, "spread": 0.1226}, "repeats_hs": {"runs": 3, "values": [0.3284, 0.063, 0.1474], "mean": 0.1796, "spread": 0.2654}, "at": 1787238904}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234345, "scored_at": 1787238904, "alerts": [], "rank": 5438}, {"candidate_id": "ODC-43E71D", "res_at": 1787234948, "skeleton": "BRXONTPETCSLSN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C2)n1", "total": 14.888, "axes": {"activity": 7.79, "binding": 3.19, "selectivity": 0.0, "admet": 1.15, "novelty": 1.62, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.067, "fraction": 0.26}, "binding": {"pIC50": 5.67, "LE": 0.216, "potency_term": 0.222, "efficiency_cap": 0.719}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.222}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.521}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.0672438961239825, "aff_pf": 0.3339257737000783, "aff_hs": -0.4332275986671448, "repeats_pf": {"runs": 3, "values": [0.2129, 0.2496, 0.5393], "mean": 0.3339, "spread": 0.3264}, "repeats_hs": {"runs": 3, "values": [-0.5108, -0.3372, -0.4517], "mean": -0.4332, "spread": 0.1735}, "at": 1787234948}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232112, "scored_at": 1787234948, "alerts": [], "rank": 5439}, {"candidate_id": "ODC-3E1E36", "res_at": 1787127133, "skeleton": "QOZRIVXHJKIPAD", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 14.882, "axes": {"activity": 8.17, "binding": 2.02, "selectivity": 0.0, "admet": 2.12, "novelty": 1.93, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 5.09, "fraction": 0.272}, "binding": {"pIC50": 5.3, "LE": 0.316, "potency_term": 0.101, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.101}, "admet": {"geometric_mean": 0.519, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.375, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 5.090453343535718, "aff_pf": 0.697373648484548, "aff_hs": 0.1848049114147822, "repeats_pf": {"runs": 3, "values": [0.8248, 0.6747, 0.5926], "mean": 0.6974, "spread": 0.2321}, "repeats_hs": {"runs": 3, "values": [0.4295, 0.1313, -0.0064], "mean": 0.1848, "spread": 0.4358}, "at": 1787127133}, "tier": 1, "relegate_reason": [], "submitted_at": 1787108422, "scored_at": 1787127133, "alerts": [], "rank": 5440}, {"candidate_id": "ODC-3D75BF", "res_at": 1786935247, "skeleton": "VAHWJUDUBXZKKJ", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········O)CC1", "total": 14.869, "axes": {"activity": 8.42, "binding": 1.25, "selectivity": 0.0, "admet": 1.99, "novelty": 1.8, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.105, "fraction": 0.281}, "binding": {"pIC50": 5.24, "LE": 0.232, "potency_term": 0.081, "efficiency_cap": 0.772}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.081}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.777, "caco2-wang": 0.242, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.453, "herg": 0.05, "dili": 0.743}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 5.105433998948946, "aff_pf": 0.7573171655337015, "aff_hs": 0.6884610454241434, "repeats_pf": {"runs": 3, "values": [0.7737, 0.8219, 0.6764], "mean": 0.7573, "spread": 0.1455}, "repeats_hs": {"runs": 3, "values": [0.7214, 0.6563, 0.6877], "mean": 0.6885, "spread": 0.0651}, "at": 1786935247}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926665, "scored_at": 1786935247, "alerts": [], "rank": 5441}, {"candidate_id": "ODC-9CB9DF", "res_at": 1787120858, "skeleton": "GPQIDVIRXPYPIN", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ncc(··········2)cn1", "total": 14.864, "axes": {"activity": 8.94, "binding": 1.26, "selectivity": 0.0, "admet": 1.41, "novelty": 2.18, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.137, "fraction": 0.298}, "binding": {"pIC50": 5.27, "LE": 0.212, "potency_term": 0.089, "efficiency_cap": 0.707}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.421, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.165, "cyp2c9-veith": 0.909, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.312, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 5.136591537189334, "aff_pf": 0.7331774830818176, "aff_hs": 0.39851942161719006, "repeats_pf": {"runs": 3, "values": [0.7409, 0.7395, 0.7191], "mean": 0.7332, "spread": 0.0218}, "repeats_hs": {"runs": 3, "values": [0.1396, 0.5553, 0.5006], "mean": 0.3985, "spread": 0.4157}, "at": 1787120858}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102453, "scored_at": 1787120858, "alerts": [], "rank": 5442}, {"candidate_id": "ODC-5A8114", "res_at": 1786899780, "skeleton": "IDPVKOBZKWNXFU", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "Codex-PfDHODH-Target80", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 14.852, "axes": {"activity": 8.22, "binding": 2.25, "selectivity": 0.0, "admet": 1.89, "novelty": 1.28, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.093, "fraction": 0.274}, "binding": {"pIC50": 5.35, "LE": 0.293, "potency_term": 0.115, "efficiency_cap": 0.977}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.461, "per_endpoint": {"solubility-aqsoldb": 0.494, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.989, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.345, "herg": 0.149, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.534, "novelty": 0.466}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.093099996339094, "aff_pf": 0.6540924112002054, "aff_hs": -0.13968021670977274, "repeats_pf": {"runs": 3, "values": [0.6367, 0.6686, 0.6569], "mean": 0.6541, "spread": 0.0319}, "repeats_hs": {"runs": 3, "values": [-0.1468, -0.1795, -0.0928], "mean": -0.1397, "spread": 0.0868}, "at": 1786899780}, "tier": 1, "relegate_reason": [], "submitted_at": 1786887242, "scored_at": 1786899780, "alerts": [], "rank": 5443}, {"candidate_id": "ODC-20B9D8", "res_at": 1787589961, "skeleton": "HOSHACSWLWDFSZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)o1", "total": 14.85, "axes": {"activity": 7.43, "binding": 2.84, "selectivity": 0.0, "admet": 1.68, "novelty": 1.97, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 5.046, "fraction": 0.248}, "binding": {"pIC50": 5.43, "LE": 0.323, "potency_term": 0.142, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.142}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.609, "cyp2c9-veith": 0.645, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.398, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.203, "novelty": 0.797}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 5.0458019589444785, "aff_pf": 0.5745547811190287, "aff_hs": 0.44256455699602765, "repeats_pf": {"runs": 3, "values": [0.4972, 0.5398, 0.6867], "mean": 0.5746, "spread": 0.1894}, "repeats_hs": {"runs": 3, "values": [0.4147, 0.519, 0.394], "mean": 0.4426, "spread": 0.125}, "at": 1787589961}, "tier": 1, "relegate_reason": [], "submitted_at": 1787588408, "scored_at": 1787589961, "alerts": [], "rank": 5444}, {"candidate_id": "ODC-F191E8", "res_at": 1787942665, "skeleton": "KGRFRRKDMSWKBL", "hf_user": "dlghkdueo", "display_name": "SOMANG-C3", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········csc12", "total": 14.836, "axes": {"activity": 4.94, "binding": 5.24, "selectivity": 0.0, "admet": 1.69, "novelty": 1.89, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 4.897, "fraction": 0.165}, "binding": {"pIC50": 5.79, "LE": 0.305, "potency_term": 0.262, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.262}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.614, "cyp3a4-substrate-carbonmangels": 0.313, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 4.896562698275851, "aff_pf": 0.21455365419387817, "aff_hs": 0.14813318848609924, "repeats_pf": {"runs": 3, "values": [0.2094, 0.1796, 0.2546], "mean": 0.2146, "spread": 0.0751}, "repeats_hs": {"runs": 3, "values": [0.2812, 0.1016, 0.0616], "mean": 0.1481, "spread": 0.2195}, "at": 1787942665}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936889, "scored_at": 1787942665, "alerts": [], "rank": 5445}, {"candidate_id": "ODC-516F9B", "res_at": 1786989151, "skeleton": "ZQFXYELPAVXWOI", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)cc1F", "total": 14.828, "axes": {"activity": 6.42, "binding": 4.47, "selectivity": 0.44, "admet": 1.11, "novelty": 1.54, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 5.79, "LE": 0.256, "potency_term": 0.262, "efficiency_cap": 0.852}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.262}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.065, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.169, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 4.985103622378907, "aff_pf": 0.21336518228054047, "aff_hs": 0.3798014124234517, "repeats_pf": {"runs": 3, "values": [0.212, 0.205, 0.2231], "mean": 0.2134, "spread": 0.0181}, "repeats_hs": {"runs": 3, "values": [0.3014, 0.3283, 0.5097], "mean": 0.3798, "spread": 0.2082}, "at": 1786989151}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984804, "scored_at": 1786989151, "alerts": [], "rank": 5446}, {"candidate_id": "ODC-E5C527", "res_at": 1787912159, "skeleton": "NWTBDOGFBQKXFY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········3)cc1", "total": 14.827, "axes": {"activity": 7.56, "binding": 2.46, "selectivity": 0.62, "admet": 2.12, "novelty": 0.84, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.054, "fraction": 0.252}, "binding": {"pIC50": 5.38, "LE": 0.295, "potency_term": 0.125, "efficiency_cap": 0.982}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.125}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.534, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.823, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.38, "herg": 0.702, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 5.05359627782009, "aff_pf": 0.6246285239855448, "aff_hs": 1.1186412572860718, "repeats_pf": {"runs": 3, "values": [0.5889, 0.6272, 0.6578], "mean": 0.6246, "spread": 0.0689}, "repeats_hs": {"runs": 3, "values": [1.089, 1.1449, 1.1221], "mean": 1.1186, "spread": 0.0559}, "at": 1787912159}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898800, "scored_at": 1787912159, "alerts": [], "rank": 5447}, {"candidate_id": "ODC-D1B92B", "res_at": 1787280756, "skeleton": "UZGMBDILJDKKCZ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1nc2··········Cl)c1", "total": 14.819, "axes": {"activity": 9.96, "binding": 0.59, "selectivity": 0.02, "admet": 1.95, "novelty": 1.11, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.198, "fraction": 0.332}, "binding": {"pIC50": 5.1, "LE": 0.259, "potency_term": 0.034, "efficiency_cap": 0.863}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.034}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.732, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.503, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.498, "herg": 0.081, "dili": 0.38}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 3.5}}, "run": {"gpu": "3", "pAct_q10": 5.197747678644064, "aff_pf": 0.8971167802810669, "aff_hs": 0.9690461953481039, "repeats_pf": {"runs": 3, "values": [0.8828, 0.9445, 0.864], "mean": 0.8971, "spread": 0.0806}, "repeats_hs": {"runs": 3, "values": [0.9197, 0.9779, 1.0095], "mean": 0.969, "spread": 0.0897}, "at": 1787280756}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276193, "scored_at": 1787280756, "alerts": [], "rank": 5448}, {"candidate_id": "ODC-47FDA0", "res_at": 1786967088, "skeleton": "TXMJUUWMOSULCN", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "C=C(C)c··········nc2n1", "total": 14.817, "axes": {"activity": 8.24, "binding": 2.41, "selectivity": 0.0, "admet": 1.36, "novelty": 1.6, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.094, "fraction": 0.275}, "binding": {"pIC50": 5.36, "LE": 0.306, "potency_term": 0.121, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.121}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.135, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.545, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 5.094359801618356, "aff_pf": 0.6382789810498556, "aff_hs": 0.479895015557607, "repeats_pf": {"runs": 3, "values": [0.8112, 0.5785, 0.5251], "mean": 0.6383, "spread": 0.2861}, "repeats_hs": {"runs": 3, "values": [0.5058, 0.449, 0.4849], "mean": 0.4799, "spread": 0.0568}, "at": 1786967088}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966890, "scored_at": 1786967088, "alerts": [], "rank": 5449}, {"candidate_id": "ODC-0FDA5F", "res_at": 1787490604, "skeleton": "JMBPTNVEFJSJJM", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-LMB06]", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cc(··········[nH]1", "total": 14.798, "axes": {"activity": 2.28, "binding": 6.16, "selectivity": 0.0, "admet": 2.57, "novelty": 2.26, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 4.491, "fraction": 0.076}, "binding": {"pIC50": 5.92, "LE": 0.406, "potency_term": 0.308, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.308}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.901, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.499, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.4906755837135774, "aff_pf": 0.07566818098227183, "aff_hs": -0.5255423486232758, "repeats_pf": {"runs": 3, "values": [0.2394, 0.0549, -0.0673], "mean": 0.0757, "spread": 0.3067}, "repeats_hs": {"runs": 3, "values": [-0.569, -0.5773, -0.4303], "mean": -0.5255, "spread": 0.147}, "at": 1787490604}, "tier": 1, "relegate_reason": [], "submitted_at": 1787489624, "scored_at": 1787490604, "alerts": [], "rank": 5450}, {"candidate_id": "ODC-B2018F", "res_at": 1786824978, "skeleton": "NPTJBXUFZZTQCR", "hf_user": "sunglee", "display_name": "semantic-os gen3 thiazole sulfonamide CF3", "model_name": "glm-5.3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········32)s1", "total": 14.797, "axes": {"activity": 6.86, "binding": 4.39, "selectivity": 0.0, "admet": 1.67, "novelty": 0.79, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.012, "fraction": 0.229}, "binding": {"pIC50": 5.66, "LE": 0.31, "potency_term": 0.219, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.219}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.497, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.599, "ld50-zhu": 0.413, "herg": 0.134, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.0116178537221785, "aff_pf": 0.34221527973810834, "aff_hs": 0.1353029509385427, "repeats_pf": {"runs": 3, "values": [0.2704, 0.4722, 0.284], "mean": 0.3422, "spread": 0.2018}, "repeats_hs": {"runs": 3, "values": [0.0874, 0.2897, 0.0288], "mean": 0.1353, "spread": 0.2609}, "at": 1786824978}, "tier": 1, "relegate_reason": [], "submitted_at": 1786790129, "scored_at": 1786824978, "alerts": [], "rank": 5451}, {"candidate_id": "ODC-5D3A97", "res_at": 1787871677, "skeleton": "MVKGTMFEWQRUSJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-GM01]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 14.783, "axes": {"activity": 1.99, "binding": 6.53, "selectivity": 0.0, "admet": 2.44, "novelty": 2.19, "synthesis": 1.63}, "detail": {"activity": {"pAct_q10": 4.719, "fraction": 0.066}, "binding": {"pIC50": 5.98, "LE": 0.341, "potency_term": 0.326, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.553, "ld50-zhu": 0.532, "herg": 0.799, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 4.719215619455783, "aff_pf": 0.021059046188990276, "aff_hs": -0.039255609114964805, "repeats_pf": {"runs": 3, "values": [0.0099, 0.0167, 0.0366], "mean": 0.0211, "spread": 0.0267}, "repeats_hs": {"runs": 3, "values": [-0.065, -0.2074, 0.1547], "mean": -0.0393, "spread": 0.3621}, "at": 1787840641}, "tier": 1, "relegate_reason": [], "submitted_at": 1787788047, "scored_at": 1787840641, "alerts": [], "rank": 5452}, {"candidate_id": "ODC-033FBE", "res_at": 1789908894, "skeleton": "IONNWIQZOLTMNZ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 14.756, "axes": {"activity": 7.73, "binding": 1.63, "selectivity": 0.44, "admet": 2.44, "novelty": 1.36, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.064, "fraction": 0.258}, "binding": {"pIC50": 5.25, "LE": 0.359, "potency_term": 0.082, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.272, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.631, "per_endpoint": {"solubility-aqsoldb": 0.544, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.493, "cyp3a4-substrate-carbonmangels": 0.752, "ld50-zhu": 0.451, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "2", "pAct_q10": 5.063914402600984, "aff_pf": 0.7548776070276896, "aff_hs": 1.2989993890126545, "repeats_pf": {"runs": 3, "values": [0.6606, 0.8273, 0.7767], "mean": 0.7549, "spread": 0.1667}, "repeats_hs": {"runs": 3, "values": [1.4126, 1.1878, 1.2965], "mean": 1.299, "spread": 0.2248}, "at": 1789908894}, "tier": 1, "alerts": [], "total_sd": 0.371, "total_ci95": [14.143, 15.618], "relegate_reason": [], "submitted_at": 1789828742, "scored_at": 1789908894, "rank": 5453}, {"candidate_id": "ODC-6B33DA", "res_at": 1787288331, "skeleton": "UGAAOHAWUIDATJ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 14.735, "axes": {"activity": 8.57, "binding": 0.77, "selectivity": 0.0, "admet": 2.39, "novelty": 1.96, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 5.114, "fraction": 0.286}, "binding": {"pIC50": 5.13, "LE": 0.27, "potency_term": 0.043, "efficiency_cap": 0.901}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.043}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.571, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.52, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 5.114479736278759, "aff_pf": 0.8711875279744467, "aff_hs": 0.8549908399581909, "repeats_pf": {"runs": 3, "values": [0.8747, 0.8927, 0.8462], "mean": 0.8712, "spread": 0.0466}, "repeats_hs": {"runs": 3, "values": [0.9713, 0.7391, 0.8545], "mean": 0.855, "spread": 0.2322}, "at": 1787288331}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286724, "scored_at": 1787288331, "alerts": [], "rank": 5454}, {"candidate_id": "ODC-DA73E6", "res_at": 1789122695, "skeleton": "MGHAMVQPDOKSGC", "hf_user": "Bio-JS", "display_name": "0911-S1-x_COC_d", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 14.707, "axes": {"activity": 7.1, "binding": 3.79, "selectivity": 0.0, "admet": 1.6, "novelty": 1.22, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 5.026, "fraction": 0.237}, "binding": {"pIC50": 5.57, "LE": 0.305, "potency_term": 0.19, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.813, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.637, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.457, "herg": 0.178, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.485, "novelty": 0.515}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 5.026080886989433, "aff_pf": 0.4313174585501353, "aff_hs": 0.3859152098496755, "repeats_pf": {"runs": 3, "values": [0.4719, 0.43, 0.3921], "mean": 0.4313, "spread": 0.0798}, "repeats_hs": {"runs": 3, "values": [0.4231, 0.3495, 0.3851], "mean": 0.3859, "spread": 0.0736}, "at": 1789122695}, "tier": 1, "alerts": [], "total_sd": 0.123, "total_ci95": [14.436, 14.968], "relegate_reason": [], "submitted_at": 1789117095, "scored_at": 1789122695, "rank": 5455}, {"candidate_id": "ODC-320562", "res_at": 1787449438, "skeleton": "IKTVAFVRHITYQL", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········ccc1F", "total": 14.677, "axes": {"activity": 6.44, "binding": 3.06, "selectivity": 1.08, "admet": 1.69, "novelty": 1.33, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 4.987, "fraction": 0.215}, "binding": {"pIC50": 5.46, "LE": 0.356, "potency_term": 0.153, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.1, "selectivity_term": 0.352, "target_engagement": 0.153}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.138, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.379, "ld50-zhu": 0.423, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 4.98659156237987, "aff_pf": 0.5415742496649424, "aff_hs": 1.2460816303888957, "repeats_pf": {"runs": 3, "values": [0.5092, 0.6361, 0.4794], "mean": 0.5416, "spread": 0.1566}, "repeats_hs": {"runs": 3, "values": [1.3026, 1.3178, 1.1179], "mean": 1.2461, "spread": 0.2}, "at": 1787449438}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448124, "scored_at": 1787449438, "alerts": [], "rank": 5456}, {"candidate_id": "ODC-5D67FF", "res_at": 1787589411, "skeleton": "QVMJKDBBJNFOLZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)s1", "total": 14.666, "axes": {"activity": 5.8, "binding": 4.91, "selectivity": 0.0, "admet": 1.22, "novelty": 1.88, "synthesis": 0.85}, "detail": {"activity": {"pAct_q10": 4.948, "fraction": 0.193}, "binding": {"pIC50": 5.74, "LE": 0.342, "potency_term": 0.246, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.246}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.074, "cyp2c9-veith": 0.082, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.506, "herg": 0.05, "dili": 0.652}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 4.947844562483071, "aff_pf": 0.26279106239477795, "aff_hs": 0.04006453603506088, "repeats_pf": {"runs": 3, "values": [0.2165, 0.2121, 0.3597], "mean": 0.2628, "spread": 0.1476}, "repeats_hs": {"runs": 3, "values": [-0.037, 0.2526, -0.0954], "mean": 0.0401, "spread": 0.3481}, "at": 1787589411}, "tier": 1, "relegate_reason": [], "submitted_at": 1787588049, "scored_at": 1787589411, "alerts": [], "rank": 5457}, {"candidate_id": "ODC-74975D", "res_at": 1787518208, "skeleton": "OSEBUTMUYWSUCW", "hf_user": "Saqibbangash", "display_name": "Saqibbangash", "model_name": "Deepseek", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Cn··········)(F)F", "total": 14.658, "axes": {"activity": 4.64, "binding": 4.42, "selectivity": 1.77, "admet": 1.39, "novelty": 1.37, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 4.879, "fraction": 0.155}, "binding": {"pIC50": 5.78, "LE": 0.255, "potency_term": 0.26, "efficiency_cap": 0.851}, "selectivity": {"fold": 4.8, "selectivity_term": 0.341, "target_engagement": 0.26}, "admet": {"geometric_mean": 0.421, "per_endpoint": {"solubility-aqsoldb": 0.516, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.946, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.242, "ld50-zhu": 0.548, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.878577953156128, "aff_pf": 0.2214778239528338, "aff_hs": 0.9035420417785645, "repeats_pf": {"runs": 3, "values": [0.4479, 0.3163, -0.0997], "mean": 0.2215, "spread": 0.5476}, "repeats_hs": {"runs": 3, "values": [0.9207, 0.8627, 0.9272], "mean": 0.9035, "spread": 0.0645}, "at": 1787518208}, "tier": 1, "relegate_reason": [], "submitted_at": 1787518016, "scored_at": 1787518208, "alerts": [], "rank": 5458}, {"candidate_id": "ODC-6C6D59", "res_at": 1787079394, "skeleton": "UGVQQHSBCUEZNY", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 14.646, "axes": {"activity": 5.29, "binding": 4.91, "selectivity": 0.0, "admet": 2.01, "novelty": 1.89, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.917, "fraction": 0.176}, "binding": {"pIC50": 5.76, "LE": 0.292, "potency_term": 0.252, "efficiency_cap": 0.974}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.252}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.55, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.696, "herg": 0.05, "dili": 0.451}}, "novelty": {"max_tanimoto": 0.232, "novelty": 0.768}, "synthesis": {"sa_score": 4.43}}, "run": {"gpu": "2", "pAct_q10": 4.917215133787699, "aff_pf": 0.24312019844849905, "aff_hs": 0.16379889845848083, "repeats_pf": {"runs": 3, "values": [0.2902, 0.2036, 0.2356], "mean": 0.2431, "spread": 0.0867}, "repeats_hs": {"runs": 3, "values": [0.2026, 0.1501, 0.1387], "mean": 0.1638, "spread": 0.0639}, "at": 1787079394}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068652, "scored_at": 1787079394, "alerts": [], "rank": 5459}, {"candidate_id": "ODC-8266DD", "res_at": 1787247960, "skeleton": "WZMBLAVCYNEVMH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)CC1", "total": 14.642, "axes": {"activity": 8.32, "binding": 1.57, "selectivity": 0.0, "admet": 1.47, "novelty": 1.93, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.099, "fraction": 0.277}, "binding": {"pIC50": 4.93, "LE": 0.281, "potency_term": 0.084, "efficiency_cap": 0.938}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.352, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.661, "ld50-zhu": 0.597, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "3", "pAct_q10": 5.099353411056487, "aff_pf": 1.0707989533742268, "aff_hs": 0.6186106403668722, "repeats_pf": {"runs": 3, "values": [1.1207, 1.0467, 1.045], "mean": 1.0708, "spread": 0.0758}, "repeats_hs": {"runs": 3, "values": [0.6046, 0.6575, 0.5938], "mean": 0.6186, "spread": 0.0638}, "at": 1787247960}, "tier": 1, "relegate_reason": [], "submitted_at": 1787240638, "scored_at": 1787247960, "alerts": [], "rank": 5460}, {"candidate_id": "ODC-EE56AB", "res_at": 1788618246, "skeleton": "WEHDXJVBYAADMK", "hf_user": "Lauhel", "display_name": "Mary", "model_name": "Mary 8B", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········cc1Cl", "total": 14.619, "axes": {"activity": 8.06, "binding": 1.25, "selectivity": 0.0, "admet": 2.27, "novelty": 1.69, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 5.084, "fraction": 0.269}, "binding": {"pIC50": 4.83, "LE": 0.288, "potency_term": 0.065, "efficiency_cap": 0.959}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.949, "cyp3a4-substrate-carbonmangels": 0.207, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.557}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "0", "pAct_q10": 5.083506626541433, "aff_pf": 1.1702382167180378, "aff_hs": 0.882230540116628, "repeats_pf": {"runs": 3, "values": [1.0965, 1.3033, 1.1109], "mean": 1.1702, "spread": 0.2068}, "repeats_hs": {"runs": 3, "values": [0.8781, 0.8375, 0.9311], "mean": 0.8822, "spread": 0.0936}, "at": 1788618246}, "tier": 1, "alerts": [], "total_sd": 0.178, "total_ci95": [14.405, 14.876], "relegate_reason": [], "submitted_at": 1788617244, "scored_at": 1788618246, "rank": 5461}, {"candidate_id": "ODC-9E0A1D", "res_at": 1786843535, "skeleton": "PSNNTSPSEHZSHM", "hf_user": "ghost613", "display_name": "MAL-07 pyrazolopyrimidine novelty scaffold", "model_name": "antropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 14.617, "axes": {"activity": 1.01, "binding": 7.95, "selectivity": 0.47, "admet": 2.15, "novelty": 1.08, "synthesis": 1.96}, "detail": {"activity": {"pAct_q10": 4.164, "fraction": 0.034}, "binding": {"pIC50": 6.19, "LE": 0.326, "potency_term": 0.398, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.398}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.376, "cyp3a4-substrate-carbonmangels": 0.245, "ld50-zhu": 0.402, "herg": 0.113, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "2", "pAct_q10": 4.164492578324651, "aff_pf": -0.19260594248771667, "aff_hs": -0.07318005959192912, "repeats_pf": {"runs": 3, "values": [-0.2635, -0.1457, -0.1686], "mean": -0.1926, "spread": 0.1178}, "repeats_hs": {"runs": 3, "values": [0.1122, -0.2019, -0.1298], "mean": -0.0732, "spread": 0.3141}, "at": 1786843535}, "tier": 1, "relegate_reason": [], "submitted_at": 1786820701, "scored_at": 1786843535, "alerts": [], "rank": 5462}, {"candidate_id": "ODC-A7825C", "res_at": 1789943080, "skeleton": "MQLUTBNIHMOWRX", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 14.605, "axes": {"activity": 7.67, "binding": 1.85, "selectivity": 0.0, "admet": 2.66, "novelty": 1.3, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.06, "fraction": 0.256}, "binding": {"pIC50": 4.97, "LE": 0.358, "potency_term": 0.093, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.694, "per_endpoint": {"solubility-aqsoldb": 0.72, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.926, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.5, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "2", "pAct_q10": 5.060312930722967, "aff_pf": 1.0303581953048706, "aff_hs": 0.9582972725232443, "repeats_pf": {"runs": 3, "values": [1.0419, 1.0354, 1.0138], "mean": 1.0304, "spread": 0.028}, "repeats_hs": {"runs": 3, "values": [1.0032, 0.9518, 0.9198], "mean": 0.9583, "spread": 0.0834}, "at": 1789943080}, "tier": 1, "alerts": [], "total_sd": 0.033, "total_ci95": [14.552, 14.684], "relegate_reason": [], "submitted_at": 1789828746, "scored_at": 1789943080, "rank": 5463}, {"candidate_id": "ODC-A6F73C", "res_at": 1787560991, "skeleton": "HOLPBZOYRVOFQT", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DIVIND01]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 14.549, "axes": {"activity": 7.54, "binding": 2.83, "selectivity": 0.22, "admet": 1.5, "novelty": 1.2, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.052, "fraction": 0.251}, "binding": {"pIC50": 5.43, "LE": 0.297, "potency_term": 0.143, "efficiency_cap": 0.992}, "selectivity": {"fold": 1.4, "selectivity_term": 0.077, "target_engagement": 0.143}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.454, "herg": 0.392, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 5.052256467825314, "aff_pf": 0.5717718601226807, "aff_hs": 0.7265804211298624, "repeats_pf": {"runs": 3, "values": [0.6474, 0.4719, 0.5961], "mean": 0.5718, "spread": 0.1755}, "repeats_hs": {"runs": 3, "values": [0.7361, 0.7021, 0.7415], "mean": 0.7266, "spread": 0.0394}, "at": 1787560991}, "tier": 1, "relegate_reason": [], "submitted_at": 1787552669, "scored_at": 1787560991, "alerts": [], "rank": 5464}, {"candidate_id": "ODC-CE7F59", "res_at": 1786843221, "skeleton": "VDPLRSKOWRTDLB", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "350-400", "visibility": "public", "smiles": "CSc1nnc2nc(CO)cc(Nc3ccc(Br)c(F)c3)n12", "smiles_masked": null, "total": 14.525, "axes": {"activity": 6.42, "binding": 3.37, "selectivity": 0.51, "admet": 1.76, "novelty": 1.5, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 5.51, "LE": 0.343, "potency_term": 0.169, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.152, "target_engagement": 0.169}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.585, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.453, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.348, "herg": 0.394, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.985235097965654, "aff_pf": 0.49412206808725995, "aff_hs": 0.7980227867762247, "repeats_pf": {"runs": 3, "values": [0.5027, 0.5166, 0.463], "mean": 0.4941, "spread": 0.0536}, "repeats_hs": {"runs": 3, "values": [0.6678, 0.8048, 0.9215], "mean": 0.798, "spread": 0.2538}, "at": 1786843221}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833058, "scored_at": 1786843221, "alerts": [], "rank": 5465}, {"candidate_id": "ODC-B8780C", "res_at": 1786754172, "skeleton": "TXAWTCYFKSYHBI", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "250-300", "visibility": "public", "smiles": "O=C(Nc1cccc(C2CC2)c1)c1cc2ccccc2[nH]1", "smiles_masked": null, "total": 14.52, "axes": {"activity": 4.01, "binding": 5.03, "selectivity": 1.07, "admet": 1.72, "novelty": 1.43, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 4.841, "fraction": 0.134}, "binding": {"pIC50": 5.75, "LE": 0.375, "potency_term": 0.252, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.252}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.473, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.344, "herg": 0.557, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 1.89}}, "run": {"gpu": "3", "pAct_q10": 4.840692146756142, "aff_pf": 0.24544110894203186, "aff_hs": 0.6695008873939514, "at": 1786754172}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786754172, "alerts": [], "rank": 5466}, {"candidate_id": "ODC-D96C12", "res_at": 1787369990, "skeleton": "IQSIJGALKZHUSH", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#CCOc1··········3)cn1", "total": 14.499, "axes": {"activity": 8.66, "binding": 0.23, "selectivity": 0.0, "admet": 2.43, "novelty": 2.2, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 5.119, "fraction": 0.289}, "binding": {"pIC50": 5.04, "LE": 0.256, "potency_term": 0.013, "efficiency_cap": 0.852}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.013}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.545, "caco2-wang": 0.658, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.731, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 5.119318827214526, "aff_pf": 0.9600137869517008, "aff_hs": 0.2434405783812205, "repeats_pf": {"runs": 3, "values": [0.9958, 0.9102, 0.974], "mean": 0.96, "spread": 0.0857}, "repeats_hs": {"runs": 3, "values": [0.3172, 0.1576, 0.2555], "mean": 0.2434, "spread": 0.1596}, "at": 1787369990}, "tier": 1, "relegate_reason": [], "submitted_at": 1787364883, "scored_at": 1787369990, "alerts": [], "rank": 5467}, {"candidate_id": "ODC-F62CBC", "res_at": 1787219244, "skeleton": "GGJNVQBRHLFXGQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········C1CC1", "total": 14.477, "axes": {"activity": 6.86, "binding": 2.53, "selectivity": 0.42, "admet": 1.88, "novelty": 1.65, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.012, "fraction": 0.229}, "binding": {"pIC50": 5.38, "LE": 0.369, "potency_term": 0.127, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.165, "target_engagement": 0.127}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.302, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.658, "cyp2c9-veith": 0.73, "cyp3a4-substrate-carbonmangels": 0.316, "ld50-zhu": 0.713, "herg": 0.596, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 5.011611611428924, "aff_pf": 0.6202030181884766, "aff_hs": 0.9502006769180298, "repeats_pf": {"runs": 3, "values": [0.3655, 0.6044, 0.8907], "mean": 0.6202, "spread": 0.5252}, "repeats_hs": {"runs": 3, "values": [1.1177, 0.662, 1.0709], "mean": 0.9502, "spread": 0.4557}, "at": 1787219244}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217154, "scored_at": 1787219244, "alerts": [], "rank": 5468}, {"candidate_id": "ODC-EED439", "res_at": 1786992274, "skeleton": "AWAXXEJSOYSRGR", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········[nH]1", "total": 14.43, "axes": {"activity": 0.63, "binding": 6.4, "selectivity": 1.12, "admet": 2.35, "novelty": 2.44, "synthesis": 1.49}, "detail": {"activity": {"pAct_q10": 4.638, "fraction": 0.021}, "binding": {"pIC50": 5.96, "LE": 0.371, "potency_term": 0.32, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.175, "target_engagement": 0.32}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.44, "cyp3a4-substrate-carbonmangels": 0.084, "ld50-zhu": 0.645, "herg": 0.122, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 4.637942344911145, "aff_pf": 0.040018354852994285, "aff_hs": 0.3897845347722371, "repeats_pf": {"runs": 3, "values": [0.1505, -0.0579, 0.0275], "mean": 0.04, "spread": 0.2084}, "repeats_hs": {"runs": 3, "values": [0.5321, 0.452, 0.1852], "mean": 0.3898, "spread": 0.3469}, "at": 1786992274}, "tier": 1, "relegate_reason": [], "submitted_at": 1786992092, "scored_at": 1786992274, "alerts": [], "rank": 5469}, {"candidate_id": "ODC-C5CD90", "res_at": 1786857548, "skeleton": "GSUAVHCSDDXWQL", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 14.429, "axes": {"activity": 2.2, "binding": 6.34, "selectivity": 0.55, "admet": 2.12, "novelty": 1.81, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 4.476, "fraction": 0.073}, "binding": {"pIC50": 5.95, "LE": 0.354, "potency_term": 0.317, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.344, "herg": 0.55, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 4.475923539769818, "aff_pf": 0.04905989517768224, "aff_hs": 0.22398055593172708, "repeats_pf": {"runs": 3, "values": [0.023, 0.0284, 0.0958], "mean": 0.0491, "spread": 0.0729}, "repeats_hs": {"runs": 3, "values": [0.2519, 0.1993, 0.2208], "mean": 0.224, "spread": 0.0526}, "at": 1786857548}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849017, "scored_at": 1786857548, "alerts": [], "rank": 5470}, {"candidate_id": "ODC-941D3F", "res_at": 1787235757, "skeleton": "IZDRQLWOAZYXHA", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C2)n1", "total": 14.404, "axes": {"activity": 8.17, "binding": 2.22, "selectivity": 0.0, "admet": 1.01, "novelty": 1.83, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.09, "fraction": 0.272}, "binding": {"pIC50": 5.47, "LE": 0.214, "potency_term": 0.156, "efficiency_cap": 0.713}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.247, "per_endpoint": {"solubility-aqsoldb": 0.247, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 0.462, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.149}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 5.090380821683933, "aff_pf": 0.5321917434533437, "aff_hs": 0.20890560249487558, "repeats_pf": {"runs": 3, "values": [0.5695, 0.4151, 0.612], "mean": 0.5322, "spread": 0.1968}, "repeats_hs": {"runs": 3, "values": [0.4641, -0.0626, 0.2252], "mean": 0.2089, "spread": 0.5266}, "at": 1787235757}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232168, "scored_at": 1787235757, "alerts": [], "rank": 5471}, {"candidate_id": "ODC-F46F4C", "res_at": 1787900858, "skeleton": "HTHFEHULQIQCBA", "hf_user": "Bio-JS", "display_name": "팔제거: 코어2-Me + 파라-CF3 아닐린", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 14.404, "axes": {"activity": 5.21, "binding": 3.78, "selectivity": 1.83, "admet": 1.52, "novelty": 1.13, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.912, "fraction": 0.174}, "binding": {"pIC50": 5.57, "LE": 0.347, "potency_term": 0.189, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.3, "selectivity_term": 0.485, "target_engagement": 0.189}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.858, "cyp3a4-substrate-carbonmangels": 0.826, "ld50-zhu": 0.341, "herg": 0.301, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.912492487446126, "aff_pf": 0.43369640906651813, "aff_hs": 1.4044935703277588, "repeats_pf": {"runs": 3, "values": [0.618, 0.3244, 0.3587], "mean": 0.4337, "spread": 0.2936}, "repeats_hs": {"runs": 3, "values": [1.4014, 1.4352, 1.3768], "mean": 1.4045, "spread": 0.0584}, "at": 1787900858}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889396, "scored_at": 1787900858, "alerts": [], "rank": 5472}, {"candidate_id": "ODC-62476C", "res_at": 1787120461, "skeleton": "FITYALDNTLVFRF", "hf_user": "Ku-ku", "display_name": "NCA20260819_004", "model_name": "novel-core/amide-coupling/maxmin", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········cc2n1", "total": 14.387, "axes": {"activity": 6.89, "binding": 3.44, "selectivity": 0.27, "admet": 1.39, "novelty": 1.39, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.013, "fraction": 0.23}, "binding": {"pIC50": 5.52, "LE": 0.302, "potency_term": 0.172, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.172}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.744, "cyp2c9-veith": 0.519, "cyp3a4-substrate-carbonmangels": 0.149, "ld50-zhu": 0.394, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 5.013194686969114, "aff_pf": 0.4841548999150594, "aff_hs": 0.6397375663121542, "repeats_pf": {"runs": 3, "values": [0.5543, 0.3761, 0.5221], "mean": 0.4842, "spread": 0.1781}, "repeats_hs": {"runs": 3, "values": [0.6134, 0.7163, 0.5895], "mean": 0.6397, "spread": 0.1268}, "at": 1787120461}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102435, "scored_at": 1787120461, "alerts": [], "rank": 5473}, {"candidate_id": "ODC-3AF0B2", "res_at": 1786841353, "skeleton": "PYGLBMWTGLYXDC", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········2)cc1", "total": 14.376, "axes": {"activity": 1.91, "binding": 5.36, "selectivity": 2.2, "admet": 1.89, "novelty": 1.67, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 4.714, "fraction": 0.064}, "binding": {"pIC50": 5.8, "LE": 0.419, "potency_term": 0.268, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.6, "selectivity_term": 0.411, "target_engagement": 0.268}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.223, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.304, "cyp3a4-substrate-carbonmangels": 0.29, "ld50-zhu": 0.273, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 1.93}}, "run": {"gpu": "3", "pAct_q10": 4.714382841427815, "aff_pf": 0.19553492466608682, "aff_hs": 1.0170498490333557, "repeats_pf": {"runs": 3, "values": [0.3442, 0.1056, 0.1368], "mean": 0.1955, "spread": 0.2387}, "repeats_hs": {"runs": 3, "values": [1.0251, 1.0782, 0.9478], "mean": 1.017, "spread": 0.1304}, "at": 1786841353}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806837, "scored_at": 1786841353, "alerts": [], "rank": 5474}, {"candidate_id": "ODC-3B325B", "res_at": 1787289834, "skeleton": "ZLWNYIISQYYADQ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········F)cn1", "total": 14.368, "axes": {"activity": 6.41, "binding": 4.05, "selectivity": 0.0, "admet": 1.77, "novelty": 1.58, "synthesis": 0.56}, "detail": {"activity": {"pAct_q10": 4.984, "fraction": 0.214}, "binding": {"pIC50": 5.62, "LE": 0.296, "potency_term": 0.205, "efficiency_cap": 0.986}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.531, "caco2-wang": 0.756, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.591, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 4.15}}, "run": {"gpu": "3", "pAct_q10": 4.984442426730095, "aff_pf": 0.38456229865550995, "aff_hs": 0.13123210271199545, "repeats_pf": {"runs": 3, "values": [0.0138, 0.5689, 0.571], "mean": 0.3846, "spread": 0.5573}, "repeats_hs": {"runs": 3, "values": [0.096, 0.163, 0.1347], "mean": 0.1312, "spread": 0.067}, "at": 1787289834}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286803, "scored_at": 1787289834, "alerts": [], "rank": 5475}, {"candidate_id": "ODC-2A0692", "res_at": 1789065885, "skeleton": "WPZPMURAJVNGOT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········1COC1", "total": 14.362, "axes": {"activity": 8.3, "binding": 1.7, "selectivity": 0.0, "admet": 1.27, "novelty": 1.95, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.098, "fraction": 0.277}, "binding": {"pIC50": 5.36, "LE": 0.21, "potency_term": 0.121, "efficiency_cap": 0.7}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.121}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.662, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.139, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.0981964510476, "aff_pf": 0.6356435219446818, "aff_hs": 0.45034030079841614, "repeats_pf": {"runs": 3, "values": [0.5444, 0.656, 0.7065], "mean": 0.6356, "spread": 0.1621}, "repeats_hs": {"runs": 3, "values": [0.4403, 0.4636, 0.4471], "mean": 0.4503, "spread": 0.0233}, "at": 1789065885}, "tier": 1, "alerts": [], "total_sd": 0.19, "total_ci95": [14.013, 14.634], "relegate_reason": [], "submitted_at": 1789045884, "scored_at": 1789065885, "rank": 5476}, {"candidate_id": "ODC-37663E", "res_at": 1787459523, "skeleton": "NAYPJIAOEVBAFN", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1N=c2··········)F)O1", "total": 14.318, "axes": {"activity": 6.41, "binding": 4.0, "selectivity": 0.0, "admet": 1.93, "novelty": 1.48, "synthesis": 0.49}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 5.69, "LE": 0.26, "potency_term": 0.231, "efficiency_cap": 0.866}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.231}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.678, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.768, "cyp3a4-substrate-carbonmangels": 0.573, "ld50-zhu": 0.692, "herg": 0.083, "dili": 0.107}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 4.39}}, "run": {"gpu": "3", "pAct_q10": 4.984820770198431, "aff_pf": 0.3080621163050334, "aff_hs": 0.23922876516977945, "repeats_pf": {"runs": 3, "values": [0.2917, 0.3139, 0.3185], "mean": 0.3081, "spread": 0.0268}, "repeats_hs": {"runs": 3, "values": [0.2812, 0.2249, 0.2115], "mean": 0.2392, "spread": 0.0697}, "at": 1787459523}, "tier": 1, "relegate_reason": [], "submitted_at": 1787459157, "scored_at": 1787459523, "alerts": [], "rank": 5477}, {"candidate_id": "ODC-1F3427", "res_at": 1787038835, "skeleton": "DFMUMVKMUQFDGR", "hf_user": "PhD-Shin", "display_name": "PhD-Shin stat1008", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 14.31, "axes": {"activity": 2.84, "binding": 5.64, "selectivity": 2.14, "admet": 0.94, "novelty": 1.81, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.578, "fraction": 0.095}, "binding": {"pIC50": 6.12, "LE": 0.227, "potency_term": 0.374, "efficiency_cap": 0.755}, "selectivity": {"fold": 3.7, "selectivity_term": 0.287, "target_engagement": 0.374}, "admet": {"geometric_mean": 0.223, "per_endpoint": {"solubility-aqsoldb": 0.656, "caco2-wang": 0.05, "hia-hou": 0.849, "bioavailability-ma": 0.05, "pgp-broccatelli": 0.839, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.558, "herg": 0.05, "dili": 0.132}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 4.577838396192533, "aff_pf": -0.12069736421108246, "aff_hs": 0.45299267768859863, "repeats_pf": {"runs": 3, "values": [0.2451, -0.3918, -0.2153], "mean": -0.1207, "spread": 0.6369}, "repeats_hs": {"runs": 3, "values": [0.4564, 0.4044, 0.4982], "mean": 0.453, "spread": 0.0937}, "at": 1787038835}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035499, "scored_at": 1787038835, "alerts": [], "rank": 5478}, {"candidate_id": "ODC-23266E", "res_at": 1787449234, "skeleton": "GRWXGQCCFZKYHH", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········=O)N1", "total": 14.309, "axes": {"activity": 1.61, "binding": 6.34, "selectivity": 0.0, "admet": 3.04, "novelty": 2.26, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.35, "fraction": 0.054}, "binding": {"pIC50": 5.95, "LE": 0.453, "potency_term": 0.317, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.317}, "admet": {"geometric_mean": 0.64, "per_endpoint": {"solubility-aqsoldb": 0.539, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.575, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 4.349885320357752, "aff_pf": 0.04864841947952906, "aff_hs": 0.03801734745502472, "repeats_pf": {"runs": 3, "values": [-0.0401, 0.0852, 0.1008], "mean": 0.0486, "spread": 0.1409}, "repeats_hs": {"runs": 3, "values": [0.0242, -0.0015, 0.0914], "mean": 0.038, "spread": 0.0929}, "at": 1787449234}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448118, "scored_at": 1787449234, "alerts": [], "rank": 5479}, {"candidate_id": "ODC-D33F6C", "res_at": 1789335497, "skeleton": "OJCOXKBOFIYPKX", "hf_user": "trblnfxn", "display_name": "SEED-02-PyrTetralin", "model_name": "Hermes-Hybrid-NonTP-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CC1=O", "total": 14.287, "axes": {"activity": 2.83, "binding": 5.15, "selectivity": 1.41, "admet": 2.35, "novelty": 1.31, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 4.577, "fraction": 0.094}, "binding": {"pIC50": 5.77, "LE": 0.359, "potency_term": 0.257, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.257}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.604, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.236, "herg": 0.318, "dili": 0.418}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 4.576714123640204, "aff_pf": 0.22755430142084757, "aff_hs": 0.7746413548787435, "repeats_pf": {"runs": 3, "values": [0.2609, 0.2597, 0.1621], "mean": 0.2276, "spread": 0.0987}, "repeats_hs": {"runs": 3, "values": [0.7013, 0.8221, 0.8005], "mean": 0.7746, "spread": 0.1209}, "at": 1789335497}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.477, "total_ci95": [13.618, 15.441], "relegate_reason": [], "submitted_at": 1789327637, "scored_at": 1789335497, "rank": 5480}, {"candidate_id": "ODC-D628B4", "res_at": 1786978016, "skeleton": "UPEYUZHKLPKUIX", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FCCOCCC··········cccc1", "total": 14.278, "axes": {"activity": 8.45, "binding": 0.51, "selectivity": 0.0, "admet": 2.22, "novelty": 1.89, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.107, "fraction": 0.282}, "binding": {"pIC50": 4.54, "LE": 0.239, "potency_term": 0.032, "efficiency_cap": 0.797}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.847, "caco2-wang": 0.69, "hia-hou": 1.0, "bioavailability-ma": 0.083, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.737, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "2", "pAct_q10": 5.106879049858048, "aff_pf": 1.4597572088241577, "aff_hs": 1.1610324382781982, "repeats_pf": {"runs": 3, "values": [1.3743, 1.5247, 1.4803], "mean": 1.4598, "spread": 0.1503}, "repeats_hs": {"runs": 3, "values": [1.0699, 1.1894, 1.2238], "mean": 1.161, "spread": 0.1539}, "at": 1786978016}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976044, "scored_at": 1786978016, "alerts": [], "rank": 5481}, {"candidate_id": "ODC-EB7BC1", "res_at": 1786895366, "skeleton": "JPHURFFAUANABS", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········C)c1F", "total": 14.259, "axes": {"activity": 6.4, "binding": 4.27, "selectivity": 0.0, "admet": 1.41, "novelty": 1.37, "synthesis": 0.81}, "detail": {"activity": {"pAct_q10": 4.984, "fraction": 0.213}, "binding": {"pIC50": 5.64, "LE": 0.309, "potency_term": 0.214, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.214}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.691, "ld50-zhu": 0.394, "herg": 0.326, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 4.984133973535411, "aff_pf": 0.35932740569114685, "aff_hs": 0.3340010146299998, "repeats_pf": {"runs": 3, "values": [0.3608, 0.2919, 0.4253], "mean": 0.3593, "spread": 0.1334}, "repeats_hs": {"runs": 3, "values": [0.093, 0.4672, 0.4418], "mean": 0.334, "spread": 0.3742}, "at": 1786895366}, "tier": 1, "relegate_reason": [], "submitted_at": 1786880108, "scored_at": 1786895366, "alerts": [], "rank": 5482}, {"candidate_id": "ODC-67177C", "res_at": 1788310675, "skeleton": "MIESEJDIFTZJNQ", "hf_user": "MJKorean", "display_name": "MJ_Arta", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 14.257, "axes": {"activity": 8.44, "binding": 0.9, "selectivity": 0.0, "admet": 2.13, "novelty": 1.68, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.106, "fraction": 0.281}, "binding": {"pIC50": 4.78, "LE": 0.234, "potency_term": 0.058, "efficiency_cap": 0.779}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.819, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.595, "herg": 0.178, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.106478879749116, "aff_pf": 1.221133550008138, "aff_hs": 1.7148927450180054, "repeats_pf": {"runs": 3, "values": [1.1576, 1.2414, 1.2644], "mean": 1.2211, "spread": 0.1069}, "repeats_hs": {"runs": 3, "values": [1.685, 1.7211, 1.7385], "mean": 1.7149, "spread": 0.0535}, "at": 1788310675}, "tier": 1, "alerts": [], "total_sd": 0.062, "total_ci95": [14.158, 14.348], "relegate_reason": [], "submitted_at": 1788287846, "scored_at": 1788310675, "rank": 5483}, {"candidate_id": "ODC-5B9748", "res_at": 1786982154, "skeleton": "JXZFXSINVNKTGF", "hf_user": "polarbearsong", "display_name": "ODC-R1-09-isoxazolopyridine", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)cc12", "total": 14.251, "axes": {"activity": 5.75, "binding": 4.22, "selectivity": 0.0, "admet": 1.75, "novelty": 1.52, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 4.945, "fraction": 0.192}, "binding": {"pIC50": 5.63, "LE": 0.322, "potency_term": 0.211, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.211}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.275, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.746, "cyp3a4-substrate-carbonmangels": 0.755, "ld50-zhu": 0.272, "herg": 0.904, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 4.9452655536383805, "aff_pf": 0.3665652871131897, "aff_hs": -0.3031967480977376, "repeats_pf": {"runs": 3, "values": [0.4172, 0.3664, 0.3161], "mean": 0.3666, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [-0.3911, -0.1988, -0.3197], "mean": -0.3032, "spread": 0.1924}, "at": 1786982154}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979351, "scored_at": 1786982154, "alerts": [], "rank": 5484}, {"candidate_id": "ODC-A3536A", "res_at": 1789494299, "skeleton": "HBLOATLCLAUNMV", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)c1F", "total": 14.229, "axes": {"activity": 4.3, "binding": 5.29, "selectivity": 0.0, "admet": 1.51, "novelty": 2.0, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 4.858, "fraction": 0.143}, "binding": {"pIC50": 5.83, "LE": 0.285, "potency_term": 0.278, "efficiency_cap": 0.951}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.278}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.513, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.299, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.48, "herg": 0.104, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 4.858070092761181, "aff_pf": 0.16655472914377847, "aff_hs": -0.015096614758173624, "repeats_pf": {"runs": 3, "values": [0.1144, 0.1514, 0.2338], "mean": 0.1666, "spread": 0.1194}, "repeats_hs": {"runs": 3, "values": [-0.0814, -0.0021, 0.0383], "mean": -0.0151, "spread": 0.1197}, "at": 1789494299}, "tier": 1, "alerts": [], "total_sd": 0.406, "total_ci95": [13.323, 14.945], "relegate_reason": [], "submitted_at": 1789490753, "scored_at": 1789494299, "rank": 5485}, {"candidate_id": "ODC-8C1A38", "res_at": 1787415799, "skeleton": "RYPTUVZHSAAWBB", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(=O··········ccc21", "total": 14.225, "axes": {"activity": 7.08, "binding": 2.91, "selectivity": 0.0, "admet": 1.37, "novelty": 1.68, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.025, "fraction": 0.236}, "binding": {"pIC50": 5.44, "LE": 0.339, "potency_term": 0.146, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.146}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.974, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.546, "cyp2c9-veith": 0.234, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.173}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "3", "pAct_q10": 5.024557709501977, "aff_pf": 0.5633542736371359, "aff_hs": -0.2209667513767878, "repeats_pf": {"runs": 3, "values": [0.5268, 0.6414, 0.5218], "mean": 0.5634, "spread": 0.1196}, "repeats_hs": {"runs": 3, "values": [-0.1842, -0.2357, -0.243], "mean": -0.221, "spread": 0.0589}, "at": 1787415799}, "tier": 1, "relegate_reason": [], "submitted_at": 1787409887, "scored_at": 1787415799, "alerts": [], "rank": 5486}, {"candidate_id": "ODC-2798E7", "res_at": 1786859393, "skeleton": "UPZBYDBKSKXMPR", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(F··········)n2n1", "total": 14.217, "axes": {"activity": 6.05, "binding": 4.44, "selectivity": 0.0, "admet": 1.44, "novelty": 1.36, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 4.963, "fraction": 0.202}, "binding": {"pIC50": 5.67, "LE": 0.299, "potency_term": 0.223, "efficiency_cap": 0.996}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.223}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.371, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.313, "herg": 0.33, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 4.963082461340372, "aff_pf": 0.33074825008710224, "aff_hs": 0.21635251740614572, "repeats_pf": {"runs": 3, "values": [0.3358, 0.3249, 0.3316], "mean": 0.3307, "spread": 0.0109}, "repeats_hs": {"runs": 3, "values": [0.0742, 0.2642, 0.3107], "mean": 0.2164, "spread": 0.2365}, "at": 1786859393}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849013, "scored_at": 1786859393, "alerts": [], "rank": 5487}, {"candidate_id": "ODC-AF48A2", "res_at": 1786846612, "skeleton": "HSIZPAHULRYTGB", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2(C#N)CC2)o1", "smiles_masked": null, "total": 14.19, "axes": {"activity": 6.41, "binding": 4.14, "selectivity": 0.0, "admet": 1.59, "novelty": 1.14, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 5.62, "LE": 0.308, "potency_term": 0.207, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.207}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.423, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.652, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.465, "novelty": 0.535}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "1", "pAct_q10": 4.984660737303906, "aff_pf": 0.3791636923948924, "aff_hs": -0.1618883510430654, "repeats_pf": {"runs": 3, "values": [0.2882, 0.3951, 0.4542], "mean": 0.3792, "spread": 0.1661}, "repeats_hs": {"runs": 3, "values": [-0.3388, -0.0742, -0.0726], "mean": -0.1619, "spread": 0.2661}, "at": 1786846612}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845807, "scored_at": 1786846612, "alerts": [], "rank": 5488}, {"candidate_id": "ODC-89D2DE", "res_at": 1786804567, "skeleton": "ZSWPIDYEJBYCIP", "hf_user": "DOATC", "display_name": "SOL_55_PS01", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 14.184, "axes": {"activity": 1.66, "binding": 5.66, "selectivity": 1.5, "admet": 2.41, "novelty": 1.8, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 4.364, "fraction": 0.055}, "binding": {"pIC50": 5.85, "LE": 0.348, "potency_term": 0.283, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.283}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.833, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.422, "herg": 0.642, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 4.364181565173057, "aff_pf": 0.1504273513952891, "aff_hs": 0.6815632780392965, "repeats_pf": {"runs": 3, "values": [0.0501, 0.1568, 0.2445], "mean": 0.1504, "spread": 0.1944}, "repeats_hs": {"runs": 3, "values": [0.6446, 0.7142, 0.6859], "mean": 0.6816, "spread": 0.0696}, "at": 1786804567}, "tier": 1, "relegate_reason": [], "submitted_at": 1786786834, "scored_at": 1786804567, "alerts": [], "rank": 5489}, {"candidate_id": "ODC-F71FCD", "res_at": 1787080507, "skeleton": "IAGLKAJZAFPTEI", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1OCC··········2)cn1", "total": 14.184, "axes": {"activity": 7.77, "binding": 1.5, "selectivity": 0.0, "admet": 2.24, "novelty": 1.96, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 5.066, "fraction": 0.259}, "binding": {"pIC50": 4.93, "LE": 0.27, "potency_term": 0.083, "efficiency_cap": 0.9}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.501, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.6, "herg": 0.1, "dili": 0.756}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 4.09}}, "run": {"gpu": "3", "pAct_q10": 5.066347002304291, "aff_pf": 1.0726866324742634, "aff_hs": 0.7561341524124146, "repeats_pf": {"runs": 3, "values": [1.0361, 1.0914, 1.0906], "mean": 1.0727, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [0.7291, 0.8172, 0.7221], "mean": 0.7561, "spread": 0.0952}, "at": 1787080507}, "tier": 1, "relegate_reason": [], "submitted_at": 1787068778, "scored_at": 1787080507, "alerts": [], "rank": 5490}, {"candidate_id": "ODC-4262E3", "res_at": 1788862831, "skeleton": "QCBJJUBNQJKXGQ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-27", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 14.173, "axes": {"activity": 6.65, "binding": 3.16, "selectivity": 0.0, "admet": 1.8, "novelty": 1.5, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.999, "fraction": 0.222}, "binding": {"pIC50": 5.47, "LE": 0.341, "potency_term": 0.158, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.966, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.918, "cyp2c9-veith": 0.355, "cyp3a4-substrate-carbonmangels": 0.318, "ld50-zhu": 0.41, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.323, "novelty": 0.677}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 4.999178125302049, "aff_pf": 0.525354286034902, "aff_hs": 0.2635241895914078, "repeats_pf": {"runs": 3, "values": [0.5059, 0.5327, 0.5374], "mean": 0.5254, "spread": 0.0315}, "repeats_hs": {"runs": 3, "values": [0.2406, 0.2953, 0.2547], "mean": 0.2635, "spread": 0.0547}, "at": 1788862831}, "tier": 1, "alerts": [], "total_sd": 0.054, "total_ci95": [14.093, 14.303], "relegate_reason": [], "submitted_at": 1788856705, "scored_at": 1788862831, "rank": 5491}, {"candidate_id": "ODC-932C22", "res_at": 1787952204, "skeleton": "VTKUXUZHVVYHGU", "hf_user": "Bio-JS", "display_name": "A6 성장칸 코어 2-(메틸설포닐메틸)", "model_name": "anthropic/claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 14.156, "axes": {"activity": 8.03, "binding": 1.66, "selectivity": 0.0, "admet": 1.42, "novelty": 1.97, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.082, "fraction": 0.268}, "binding": {"pIC50": 5.29, "LE": 0.259, "potency_term": 0.096, "efficiency_cap": 0.863}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.096}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.663, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.622, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 5.081735140746003, "aff_pf": 0.7110370794932047, "aff_hs": 0.46635766824086505, "repeats_pf": {"runs": 3, "values": [0.8832, 0.5879, 0.662], "mean": 0.711, "spread": 0.2954}, "repeats_hs": {"runs": 3, "values": [0.5687, 0.4606, 0.3697], "mean": 0.4664, "spread": 0.199}, "at": 1787952204}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945165, "scored_at": 1787952204, "alerts": [], "rank": 5492}, {"candidate_id": "ODC-E84142", "res_at": 1787705340, "skeleton": "XKTFSURJLOMYHO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········nc2n1", "total": 14.148, "axes": {"activity": 8.97, "binding": 0.37, "selectivity": 0.0, "admet": 1.7, "novelty": 1.88, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 5.138, "fraction": 0.299}, "binding": {"pIC50": 4.53, "LE": 0.182, "potency_term": 0.031, "efficiency_cap": 0.608}, "selectivity": {"fold": 1.7, "selectivity_term": 0.113, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.879, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.518, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.464, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.1383522558799, "aff_pf": 1.4747924009958904, "aff_hs": 1.7000839710235596, "repeats_pf": {"runs": 3, "values": [1.3955, 1.3906, 1.6383], "mean": 1.4748, "spread": 0.2477}, "repeats_hs": {"runs": 3, "values": [1.6156, 1.721, 1.7637], "mean": 1.7001, "spread": 0.148}, "at": 1787705340}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702912, "scored_at": 1787705340, "alerts": [], "rank": 5493}, {"candidate_id": "ODC-1E0E08", "res_at": 1786977458, "skeleton": "OOTACCVKKNSISR", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 14.141, "axes": {"activity": 2.06, "binding": 5.6, "selectivity": 1.12, "admet": 2.42, "novelty": 1.6, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 4.724, "fraction": 0.069}, "binding": {"pIC50": 5.84, "LE": 0.364, "potency_term": 0.28, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.28}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.998, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.575, "cyp3a4-substrate-carbonmangels": 0.598, "ld50-zhu": 0.684, "herg": 0.781, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "2", "pAct_q10": 4.723616298834327, "aff_pf": 0.16050054132938385, "aff_hs": 0.5590850909550985, "repeats_pf": {"runs": 3, "values": [0.3185, -0.1229, 0.2859], "mean": 0.1605, "spread": 0.4414}, "repeats_hs": {"runs": 3, "values": [0.6038, 0.5246, 0.5489], "mean": 0.5591, "spread": 0.0792}, "at": 1786977458}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975846, "scored_at": 1786977458, "alerts": [], "rank": 5494}, {"candidate_id": "ODC-B80B43", "res_at": 1787022197, "skeleton": "PDALBFYDZHUUTO", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)cc1F", "total": 14.127, "axes": {"activity": 7.87, "binding": 1.09, "selectivity": 0.0, "admet": 2.1, "novelty": 1.87, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.072, "fraction": 0.262}, "binding": {"pIC50": 4.8, "LE": 0.274, "potency_term": 0.06, "efficiency_cap": 0.912}, "selectivity": {"fold": 1.4, "selectivity_term": 0.074, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.322, "cyp3a4-substrate-carbonmangels": 0.333, "ld50-zhu": 0.487, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.071978175954701, "aff_pf": 1.2046436071395874, "aff_hs": 1.352448582649231, "repeats_pf": {"runs": 3, "values": [1.1361, 1.2583, 1.2195], "mean": 1.2046, "spread": 0.1222}, "repeats_hs": {"runs": 3, "values": [1.2641, 1.4262, 1.367], "mean": 1.3524, "spread": 0.1621}, "at": 1787022197}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021371, "scored_at": 1787022197, "alerts": [], "rank": 5495}, {"candidate_id": "ODC-4C1A6F", "res_at": 1789074047, "skeleton": "JQJSRYKJLWOKSI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)cc1", "total": 14.068, "axes": {"activity": 5.92, "binding": 3.64, "selectivity": 1.25, "admet": 1.16, "novelty": 1.31, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.955, "fraction": 0.197}, "binding": {"pIC50": 5.58, "LE": 0.283, "potency_term": 0.193, "efficiency_cap": 0.944}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.193}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 0.845, "pgp-broccatelli": 0.347, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.41, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 4.95541169031495, "aff_pf": 0.42128514250119525, "aff_hs": 1.0694509347279866, "repeats_pf": {"runs": 3, "values": [0.3155, 0.6104, 0.338], "mean": 0.4213, "spread": 0.2948}, "repeats_hs": {"runs": 3, "values": [0.9727, 1.2926, 0.9431], "mean": 1.0695, "spread": 0.3495}, "at": 1789074047}, "tier": 1, "alerts": [], "total_sd": 0.967, "total_ci95": [12.141, 15.889], "relegate_reason": [], "submitted_at": 1789045978, "scored_at": 1789074047, "rank": 5496}, {"candidate_id": "ODC-E5F18B", "res_at": 1786849318, "skeleton": "FOJASWOWKIOJJC", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········)ccn1", "total": 14.039, "axes": {"activity": 2.55, "binding": 5.64, "selectivity": 0.09, "admet": 2.53, "novelty": 1.98, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 4.753, "fraction": 0.085}, "binding": {"pIC50": 5.85, "LE": 0.32, "potency_term": 0.282, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.016, "target_engagement": 0.282}, "admet": {"geometric_mean": 0.597, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.999, "cyp3a4-substrate-carbonmangels": 0.387, "ld50-zhu": 0.397, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 4.7527645605768205, "aff_pf": 0.15333866328001022, "aff_hs": 0.1855452706416448, "repeats_pf": {"runs": 3, "values": [0.2812, 0.0634, 0.1154], "mean": 0.1533, "spread": 0.2177}, "repeats_hs": {"runs": 3, "values": [0.2396, 0.1698, 0.1473], "mean": 0.1855, "spread": 0.0923}, "at": 1786849318}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845829, "scored_at": 1786849318, "alerts": [], "rank": 5497}, {"candidate_id": "ODC-9F09B2", "res_at": 1786938653, "skeleton": "IRSRDCFFKHBEPL", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········)c2C1", "total": 13.999, "axes": {"activity": 8.13, "binding": 0.66, "selectivity": 0.0, "admet": 2.24, "novelty": 1.85, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.088, "fraction": 0.271}, "binding": {"pIC50": 4.65, "LE": 0.236, "potency_term": 0.042, "efficiency_cap": 0.787}, "selectivity": {"fold": 2.8, "selectivity_term": 0.221, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.494, "caco2-wang": 0.989, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.736, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.632, "herg": 0.168, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.087913607579037, "aff_pf": 1.3462443351745605, "aff_hs": 1.7891140778859456, "repeats_pf": {"runs": 3, "values": [1.3486, 1.3348, 1.3553], "mean": 1.3462, "spread": 0.0205}, "repeats_hs": {"runs": 3, "values": [1.835, 1.8155, 1.7168], "mean": 1.7891, "spread": 0.1182}, "at": 1786938653}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933385, "scored_at": 1786938653, "alerts": [], "rank": 5498}, {"candidate_id": "ODC-08A502", "res_at": 1788497452, "skeleton": "UZRDZVUOSWCQNP", "hf_user": "dlghkdueo", "display_name": "R6-A2", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 13.989, "axes": {"activity": 7.81, "binding": 1.62, "selectivity": 0.0, "admet": 1.63, "novelty": 1.63, "synthesis": 1.3}, "detail": {"activity": {"pAct_q10": 5.068, "fraction": 0.26}, "binding": {"pIC50": 4.92, "LE": 0.293, "potency_term": 0.083, "efficiency_cap": 0.978}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.36, "ld50-zhu": 0.384, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "0", "pAct_q10": 5.068477903933436, "aff_pf": 1.0754040877024333, "aff_hs": 1.0098951657613118, "repeats_pf": {"runs": 3, "values": [1.1325, 1.0731, 1.0206], "mean": 1.0754, "spread": 0.1118}, "repeats_hs": {"runs": 3, "values": [1.1047, 0.9976, 0.9274], "mean": 1.0099, "spread": 0.1774}, "at": 1788497452}, "tier": 1, "alerts": [], "total_sd": 0.115, "total_ci95": [13.833, 14.247], "relegate_reason": [], "submitted_at": 1788447314, "scored_at": 1788497452, "rank": 5499}, {"candidate_id": "ODC-239865", "res_at": 1787195609, "skeleton": "VQUCLABMSMTNHF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cn1", "total": 13.976, "axes": {"activity": 7.89, "binding": 0.99, "selectivity": 0.0, "admet": 2.29, "novelty": 1.8, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 5.073, "fraction": 0.263}, "binding": {"pIC50": 4.77, "LE": 0.262, "potency_term": 0.057, "efficiency_cap": 0.872}, "selectivity": {"fold": 1.4, "selectivity_term": 0.074, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.638, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.589, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.073380107053417, "aff_pf": 1.2276461919148762, "aff_hs": 1.37627112865448, "repeats_pf": {"runs": 3, "values": [1.2271, 1.256, 1.1999], "mean": 1.2276, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [1.3925, 1.4418, 1.2945], "mean": 1.3763, "spread": 0.1473}, "at": 1787195609}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192185, "scored_at": 1787195609, "alerts": [], "rank": 5500}, {"candidate_id": "ODC-2AF40A", "res_at": 1787348356, "skeleton": "NIEUZOYFBSZRMI", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 13.925, "axes": {"activity": 8.78, "binding": 0.35, "selectivity": 0.0, "admet": 1.83, "novelty": 1.93, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.127, "fraction": 0.293}, "binding": {"pIC50": 5.07, "LE": 0.217, "potency_term": 0.024, "efficiency_cap": 0.724}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.024}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.557, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 0.202, "ld50-zhu": 0.332, "herg": 0.05, "dili": 0.723}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.126651035831213, "aff_pf": 0.926614244778951, "aff_hs": 0.5602439641952515, "repeats_pf": {"runs": 3, "values": [0.8734, 1.0449, 0.8615], "mean": 0.9266, "spread": 0.1834}, "repeats_hs": {"runs": 3, "values": [0.585, 0.5263, 0.5694], "mean": 0.5602, "spread": 0.0587}, "at": 1787348356}, "tier": 1, "relegate_reason": [], "submitted_at": 1787347602, "scored_at": 1787348356, "alerts": [], "rank": 5501}, {"candidate_id": "ODC-680D01", "res_at": 1786773906, "skeleton": "QTAMYRWUEVESDW", "hf_user": "Sunghokim", "display_name": "sunghokim", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 13.92, "axes": {"activity": 5.71, "binding": 3.67, "selectivity": 1.32, "admet": 1.64, "novelty": 0.63, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.942, "fraction": 0.19}, "binding": {"pIC50": 5.55, "LE": 0.331, "potency_term": 0.184, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.2, "selectivity_term": 0.36, "target_engagement": 0.184}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.762, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.677, "herg": 0.857, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.942385241403702, "aff_pf": 0.4491039514541626, "aff_hs": 1.168884038925171, "at": 1786773906}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772942, "scored_at": 1786773906, "alerts": [], "rank": 5502}, {"candidate_id": "ODC-98E8E7", "res_at": 1787016631, "skeleton": "QWRZITOKCNWHOH", "hf_user": "ipsych", "display_name": "RCX-Bu-diaza-light", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 13.917, "axes": {"activity": 8.4, "binding": 0.85, "selectivity": 0.08, "admet": 1.4, "novelty": 1.95, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.104, "fraction": 0.28}, "binding": {"pIC50": 5.17, "LE": 0.228, "potency_term": 0.056, "efficiency_cap": 0.761}, "selectivity": {"fold": 1.4, "selectivity_term": 0.068, "target_engagement": 0.056}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.475, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.795, "herg": 0.05, "dili": 0.426}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "2", "pAct_q10": 5.104115952729925, "aff_pf": 0.833081046740214, "aff_hs": 0.9681539734204611, "repeats_pf": {"runs": 3, "values": [0.6807, 0.8957, 0.9228], "mean": 0.8331, "spread": 0.2421}, "repeats_hs": {"runs": 3, "values": [1.0219, 0.922, 0.9606], "mean": 0.9682, "spread": 0.0998}, "at": 1787016631}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016268, "scored_at": 1787016631, "alerts": [], "rank": 5503}, {"candidate_id": "ODC-893BCB", "res_at": 1788816051, "skeleton": "XVWWGJSBJKUJDJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCCc1n··········)n2n1", "total": 13.908, "axes": {"activity": 8.28, "binding": 1.31, "selectivity": 0.14, "admet": 1.85, "novelty": 1.08, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.097, "fraction": 0.276}, "binding": {"pIC50": 5.21, "LE": 0.275, "potency_term": 0.071, "efficiency_cap": 0.916}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.071}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.559, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.648, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.609, "novelty": 0.391}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.096566141093432, "aff_pf": 0.7859134276707967, "aff_hs": 0.9761245648066202, "repeats_pf": {"runs": 3, "values": [0.6128, 0.8415, 0.9035], "mean": 0.7859, "spread": 0.2907}, "repeats_hs": {"runs": 3, "values": [0.8984, 1.012, 1.018], "mean": 0.9761, "spread": 0.1196}, "at": 1788816051}, "tier": 1, "alerts": [], "total_sd": 0.568, "total_ci95": [13.078, 15.328], "relegate_reason": [], "submitted_at": 1788738194, "scored_at": 1788816051, "rank": 5504}, {"candidate_id": "ODC-D72785", "res_at": 1787950337, "skeleton": "MRGQURLXVPMZQJ", "hf_user": "Bio-JS", "display_name": "B1 피롤로트라이아진 x 옥세탄 + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········nn2c1", "total": 13.9, "axes": {"activity": 3.71, "binding": 4.9, "selectivity": 0.69, "admet": 1.86, "novelty": 1.68, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.823, "fraction": 0.124}, "binding": {"pIC50": 5.73, "LE": 0.342, "potency_term": 0.245, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.14, "target_engagement": 0.245}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.523, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.502, "herg": 0.05, "dili": 0.794}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 4.822829666959176, "aff_pf": 0.2651774734258652, "aff_hs": 0.5454663236935934, "repeats_pf": {"runs": 3, "values": [0.2822, 0.2202, 0.2931], "mean": 0.2652, "spread": 0.073}, "repeats_hs": {"runs": 3, "values": [0.5141, 0.5289, 0.5934], "mean": 0.5455, "spread": 0.0794}, "at": 1787950337}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945010, "scored_at": 1787950337, "alerts": [], "rank": 5505}, {"candidate_id": "ODC-6A857C", "res_at": 1787013345, "skeleton": "RWNNYQSMOHZCRD", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 13.893, "axes": {"activity": 7.77, "binding": 2.52, "selectivity": 0.0, "admet": 1.82, "novelty": 1.0, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 5.066, "fraction": 0.259}, "binding": {"pIC50": 5.41, "LE": 0.275, "potency_term": 0.138, "efficiency_cap": 0.916}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.734, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.815, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.111, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.615, "novelty": 0.385}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "3", "pAct_q10": 5.065918333098232, "aff_pf": 0.5868227084477743, "aff_hs": 0.25069500009218854, "repeats_pf": {"runs": 3, "values": [0.6184, 0.584, 0.558], "mean": 0.5868, "spread": 0.0603}, "repeats_hs": {"runs": 3, "values": [0.1651, 0.2974, 0.2896], "mean": 0.2507, "spread": 0.1323}, "at": 1787013345}, "tier": 1, "relegate_reason": [], "submitted_at": 1787012933, "scored_at": 1787013345, "alerts": [], "rank": 5506}, {"candidate_id": "ODC-AB7A15", "res_at": 1788094814, "skeleton": "ODPZGLCMBAAXHH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cnc··········)cn12", "total": 13.89, "axes": {"activity": 2.22, "binding": 5.34, "selectivity": 1.52, "admet": 1.83, "novelty": 1.77, "synthesis": 1.22}, "detail": {"activity": {"pAct_q10": 4.479, "fraction": 0.074}, "binding": {"pIC50": 5.8, "LE": 0.345, "potency_term": 0.267, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.267}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.991, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.841, "ld50-zhu": 0.468, "herg": 0.359, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 4.478744104284872, "aff_pf": 0.19967256486415863, "aff_hs": 0.770386258761088, "repeats_pf": {"runs": 3, "values": [0.1584, 0.233, 0.2077], "mean": 0.1997, "spread": 0.0746}, "repeats_hs": {"runs": 3, "values": [0.8997, 0.8086, 0.6029], "mean": 0.7704, "spread": 0.2967}, "at": 1788094814}, "tier": 1, "alerts": [], "total_sd": 0.346, "total_ci95": [13.318, 14.593], "relegate_reason": [], "submitted_at": 1788081361, "scored_at": 1788094814, "rank": 5507}, {"candidate_id": "ODC-7DFB2D", "res_at": 1786862737, "skeleton": "ONNQBFWXNHLRHV", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)c2o1", "total": 13.851, "axes": {"activity": 7.89, "binding": 0.87, "selectivity": 0.0, "admet": 2.01, "novelty": 1.98, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 5.073, "fraction": 0.263}, "binding": {"pIC50": 5.13, "LE": 0.335, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.044}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.473, "caco2-wang": 0.909, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.051, "ld50-zhu": 0.73, "herg": 0.459, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "2", "pAct_q10": 5.073372031492738, "aff_pf": 0.869479219118754, "aff_hs": 0.41164544224739075, "repeats_pf": {"runs": 3, "values": [0.7803, 0.9505, 0.8776], "mean": 0.8695, "spread": 0.1702}, "repeats_hs": {"runs": 3, "values": [0.6241, 0.3151, 0.2957], "mean": 0.4116, "spread": 0.3284}, "at": 1786862737}, "tier": 1, "relegate_reason": [], "submitted_at": 1786854681, "scored_at": 1786862737, "alerts": [], "rank": 5508}, {"candidate_id": "ODC-E6FBB9", "res_at": 1786953189, "skeleton": "NKBZBBBQQDSFCY", "hf_user": "1Dmeds", "display_name": "ODC26-R6B-05", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 13.851, "axes": {"activity": 8.75, "binding": 0.17, "selectivity": 0.0, "admet": 1.92, "novelty": 1.64, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.125, "fraction": 0.292}, "binding": {"pIC50": 4.1, "LE": 0.244, "potency_term": 0.011, "efficiency_cap": 0.815}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.705, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.464, "herg": 0.089, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.125033274037392, "aff_pf": 1.895646095275879, "aff_hs": 1.6972648700078328, "repeats_pf": {"runs": 3, "values": [1.9446, 1.8625, 1.8798], "mean": 1.8956, "spread": 0.0822}, "repeats_hs": {"runs": 3, "values": [1.6719, 1.6949, 1.725], "mean": 1.6973, "spread": 0.0531}, "at": 1786953189}, "tier": 1, "relegate_reason": [], "submitted_at": 1786949075, "scored_at": 1786953189, "alerts": [], "rank": 5509}, {"candidate_id": "ODC-106322", "res_at": 1786774224, "skeleton": "XMTFCOQPEFADPK", "hf_user": "Sunghokim", "display_name": "sunghokim", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 13.85, "axes": {"activity": 7.0, "binding": 2.64, "selectivity": 0.0, "admet": 2.08, "novelty": 1.05, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 5.02, "fraction": 0.233}, "binding": {"pIC50": 5.4, "LE": 0.296, "potency_term": 0.134, "efficiency_cap": 0.987}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.134}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.529, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.448, "ld50-zhu": 0.468, "herg": 0.527, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 5.020263204883246, "aff_pf": 0.5989011526107788, "aff_hs": 0.4922091066837311, "at": 1786774224}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772962, "scored_at": 1786774224, "alerts": [], "rank": 5510}, {"candidate_id": "ODC-800C43", "res_at": 1787361616, "skeleton": "HBBMZHYMNUTYJZ", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "450-500", "visibility": "public", "smiles": "CCCCCc1nnc2cc(-c3ccc(-c4ccccc4)cc3)cnc2c1-c1ccc(C(C)(C)C#N)cc1", "smiles_masked": null, "total": 13.848, "axes": {"activity": 8.66, "binding": 0.41, "selectivity": 0.09, "admet": 1.2, "novelty": 2.14, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.119, "fraction": 0.289}, "binding": {"pIC50": 5.1, "LE": 0.184, "potency_term": 0.033, "efficiency_cap": 0.613}, "selectivity": {"fold": 1.9, "selectivity_term": 0.136, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.277, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.451, "herg": 0.05, "dili": 0.995}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.119426402325176, "aff_pf": 0.9003255565961202, "aff_hs": 1.1724394957224529, "repeats_pf": {"runs": 3, "values": [0.937, 0.871, 0.8931], "mean": 0.9003, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [1.2664, 1.1891, 1.0619], "mean": 1.1724, "spread": 0.2044}, "at": 1787361616}, "tier": 1, "relegate_reason": [], "submitted_at": 1787359281, "scored_at": 1787361616, "alerts": [], "rank": 5511}, {"candidate_id": "ODC-0B7FDF", "res_at": 1789913506, "skeleton": "AIBMQQNOGUNLJQ", "hf_user": "Dinesh4311", "display_name": "GeroQubit", "model_name": "GeroQubit/AethelGard", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········CCCCO", "total": 13.789, "axes": {"activity": 9.24, "binding": 0.13, "selectivity": 0.0, "admet": 1.12, "novelty": 1.76, "synthesis": 1.54}, "detail": {"activity": {"pAct_q10": 5.154, "fraction": 0.308}, "binding": {"pIC50": 4.05, "LE": 0.206, "potency_term": 0.009, "efficiency_cap": 0.685}, "selectivity": {"fold": 1.2, "selectivity_term": 0.043, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 0.05, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.827, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.122, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "2", "pAct_q10": 5.1544628835124815, "aff_pf": 1.9476133187611897, "aff_hs": 2.0328516562779746, "repeats_pf": {"runs": 3, "values": [1.9179, 1.9183, 2.0067], "mean": 1.9476, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [1.9947, 2.0443, 2.0595], "mean": 2.0329, "spread": 0.0648}, "at": 1789913506}, "tier": 1, "alerts": [], "total_sd": 0.009, "total_ci95": [13.769, 13.8], "relegate_reason": [], "submitted_at": 1789837629, "scored_at": 1789913506, "rank": 5512}, {"candidate_id": "ODC-7A03D1", "res_at": 1786887542, "skeleton": "SCSCRLLMNDVJFB", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········C)c1F", "total": 13.777, "axes": {"activity": 7.47, "binding": 2.14, "selectivity": 0.02, "admet": 1.56, "novelty": 1.67, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 5.048, "fraction": 0.249}, "binding": {"pIC50": 5.34, "LE": 0.281, "potency_term": 0.114, "efficiency_cap": 0.938}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.114}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "2", "pAct_q10": 5.048307901756373, "aff_pf": 0.6580546696980795, "aff_hs": 0.6745436191558838, "repeats_pf": {"runs": 3, "values": [0.5738, 0.6701, 0.7302], "mean": 0.6581, "spread": 0.1563}, "repeats_hs": {"runs": 3, "values": [0.545, 0.7611, 0.7175], "mean": 0.6745, "spread": 0.2161}, "at": 1786887542}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879724, "scored_at": 1786887542, "alerts": [], "rank": 5513}, {"candidate_id": "ODC-0E4512", "res_at": 1787094314, "skeleton": "WHIKSLGSXKIHCA", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC/C(C)··········OC1=O", "total": 13.766, "axes": {"activity": 6.37, "binding": 3.98, "selectivity": 0.1, "admet": 1.43, "novelty": 1.58, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.982, "fraction": 0.212}, "binding": {"pIC50": 5.87, "LE": 0.206, "potency_term": 0.29, "efficiency_cap": 0.687}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.69, "caco2-wang": 0.167, "hia-hou": 0.847, "bioavailability-ma": 0.212, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.296, "ld50-zhu": 1.0, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.254, "novelty": 0.746}, "synthesis": {"sa_score": 5.01}}, "run": {"gpu": "3", "pAct_q10": 4.981962649167822, "aff_pf": 0.13126275688409805, "aff_hs": 0.1673904707034429, "repeats_pf": {"runs": 3, "values": [-0.0051, 0.2874, 0.1115], "mean": 0.1313, "spread": 0.2924}, "repeats_hs": {"runs": 3, "values": [0.1874, 0.3222, -0.0074], "mean": 0.1674, "spread": 0.3296}, "at": 1787094314}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787094029, "scored_at": 1787094314, "rank": 5514}, {"candidate_id": "ODC-3127BD", "res_at": 1787288518, "skeleton": "ZNFBGGKRSJWTIG", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCC(=O··········2)CC1", "total": 13.759, "axes": {"activity": 7.55, "binding": 1.37, "selectivity": 0.0, "admet": 2.16, "novelty": 1.68, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.053, "fraction": 0.252}, "binding": {"pIC50": 4.89, "LE": 0.268, "potency_term": 0.076, "efficiency_cap": 0.894}, "selectivity": {"fold": 1.2, "selectivity_term": 0.036, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.698, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.459, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 5.0532686896323815, "aff_pf": 1.107539176940918, "aff_hs": 1.1801886558532715, "repeats_pf": {"runs": 3, "values": [1.0584, 1.0974, 1.1668], "mean": 1.1075, "spread": 0.1083}, "repeats_hs": {"runs": 3, "values": [1.1014, 1.2775, 1.1617], "mean": 1.1802, "spread": 0.1761}, "at": 1787288518}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286733, "scored_at": 1787288518, "alerts": [], "rank": 5515}, {"candidate_id": "ODC-69E747", "res_at": 1787057942, "skeleton": "KRKDNKXKPJGTPS", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········ccn12", "total": 13.733, "axes": {"activity": 8.23, "binding": 0.74, "selectivity": 0.0, "admet": 1.61, "novelty": 2.1, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.094, "fraction": 0.274}, "binding": {"pIC50": 4.74, "LE": 0.216, "potency_term": 0.052, "efficiency_cap": 0.721}, "selectivity": {"fold": 2.3, "selectivity_term": 0.181, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.405, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.769, "herg": 0.05, "dili": 0.198}}, "novelty": {"max_tanimoto": 0.236, "novelty": 0.764}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 5.093897091844254, "aff_pf": 1.2643218040466309, "aff_hs": 1.625486930211385, "repeats_pf": {"runs": 3, "values": [1.3684, 1.0616, 1.363], "mean": 1.2643, "spread": 0.3068}, "repeats_hs": {"runs": 3, "values": [1.6712, 1.5347, 1.6707], "mean": 1.6255, "spread": 0.1365}, "at": 1787057942}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057448, "scored_at": 1787057942, "alerts": [], "rank": 5516}, {"candidate_id": "ODC-CEEBC6", "res_at": 1787079930, "skeleton": "SFDCFMOQMZXCNT", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc(··········)nn12", "total": 13.696, "axes": {"activity": 5.61, "binding": 3.29, "selectivity": 1.96, "admet": 0.76, "novelty": 1.38, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.936, "fraction": 0.187}, "binding": {"pIC50": 5.6, "LE": 0.247, "potency_term": 0.2, "efficiency_cap": 0.825}, "selectivity": {"fold": 9.6, "selectivity_term": 0.49, "target_engagement": 0.2}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.325, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.3, "cyp3a4-substrate-carbonmangels": 0.234, "ld50-zhu": 0.362, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 4.936402633962219, "aff_pf": 0.4011293749014537, "aff_hs": 1.3813138405481975, "repeats_pf": {"runs": 3, "values": [0.2799, 0.3974, 0.526], "mean": 0.4011, "spread": 0.2461}, "repeats_hs": {"runs": 3, "values": [1.3445, 1.3751, 1.4243], "mean": 1.3813, "spread": 0.0798}, "at": 1787079930}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067253, "scored_at": 1787079930, "alerts": [], "rank": 5517}, {"candidate_id": "ODC-CA3C22", "res_at": 1786774065, "skeleton": "NANAPRXUSSYGNV", "hf_user": "ProPerNounpYK", "display_name": "youngphil", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 13.67, "axes": {"activity": 7.12, "binding": 2.15, "selectivity": 0.2, "admet": 2.12, "novelty": 0.96, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.027, "fraction": 0.237}, "binding": {"pIC50": 5.32, "LE": 0.331, "potency_term": 0.108, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.094, "target_engagement": 0.108}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.412, "herg": 0.942, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.596, "novelty": 0.404}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.0271411471604805, "aff_pf": 0.6772054433822632, "aff_hs": 0.865030825138092, "at": 1786774065}, "tier": 1, "relegate_reason": [], "submitted_at": 1786772946, "scored_at": 1786774065, "alerts": [], "rank": 5518}, {"candidate_id": "ODC-E5A78D", "res_at": 1786790134, "skeleton": "JZHBLJCVFYGGQM", "hf_user": "DOATC", "display_name": "DH/KATA/DO", "model_name": "지피티 SOL", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········ccc12", "total": 13.659, "axes": {"activity": 2.99, "binding": 5.48, "selectivity": 0.0, "admet": 2.01, "novelty": 2.08, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.598, "fraction": 0.1}, "binding": {"pIC50": 5.82, "LE": 0.332, "potency_term": 0.274, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.274}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.472, "ld50-zhu": 0.274, "herg": 0.253, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 4.5984202555441325, "aff_pf": 0.17746705810228983, "aff_hs": 0.136041522026062, "repeats_pf": {"runs": 3, "values": [0.2761, 0.1225, 0.1338], "mean": 0.1775, "spread": 0.1536}, "repeats_hs": {"runs": 3, "values": [0.1621, 0.1462, 0.0998], "mean": 0.136, "spread": 0.0623}, "at": 1786790134}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1786781938, "scored_at": 1786790134, "rank": 5519}, {"candidate_id": "ODC-60CB0B", "res_at": 1786979234, "skeleton": "PMMDACKFKJYBCW", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········cccn1", "total": 13.658, "axes": {"activity": 7.95, "binding": 0.12, "selectivity": 0.0, "admet": 2.69, "novelty": 1.71, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 3.95, "LE": 0.246, "potency_term": 0.007, "efficiency_cap": 0.82}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.677, "per_endpoint": {"solubility-aqsoldb": 0.961, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 0.899, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.339, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.077107907839417, "aff_pf": 2.050229469935099, "aff_hs": 1.974467674891154, "repeats_pf": {"runs": 3, "values": [1.975, 2.0647, 2.111], "mean": 2.0502, "spread": 0.1361}, "repeats_hs": {"runs": 3, "values": [1.9598, 2.0521, 1.9115], "mean": 1.9745, "spread": 0.1406}, "at": 1786979234}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977319, "scored_at": 1786979234, "alerts": [], "rank": 5520}, {"candidate_id": "ODC-C6738E", "res_at": 1786891088, "skeleton": "UZBWFFDXIYDLOK", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas Drug Agent", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········2c1=O", "total": 13.598, "axes": {"activity": 8.42, "binding": 0.63, "selectivity": 0.0, "admet": 1.93, "novelty": 1.6, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.105, "fraction": 0.281}, "binding": {"pIC50": 4.61, "LE": 0.253, "potency_term": 0.038, "efficiency_cap": 0.842}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.488, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.772, "herg": 0.597, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 5.104972001939761, "aff_pf": 1.3918447891871135, "aff_hs": 0.441835214694341, "repeats_pf": {"runs": 3, "values": [1.3433, 1.4148, 1.4175], "mean": 1.3918, "spread": 0.0742}, "repeats_hs": {"runs": 3, "values": [0.4296, 0.611, 0.2849], "mean": 0.4418, "spread": 0.3261}, "at": 1786891088}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877794, "scored_at": 1786891088, "alerts": [], "rank": 5521}, {"candidate_id": "ODC-7DBE8F", "res_at": 1787330993, "skeleton": "ZRIRNTIMSHQYGF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········ccc12", "total": 13.59, "axes": {"activity": 8.29, "binding": 0.57, "selectivity": 0.0, "admet": 1.69, "novelty": 1.67, "synthesis": 1.38}, "detail": {"activity": {"pAct_q10": 5.097, "fraction": 0.276}, "binding": {"pIC50": 4.57, "LE": 0.25, "potency_term": 0.034, "efficiency_cap": 0.834}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.408, "per_endpoint": {"solubility-aqsoldb": 0.095, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.823, "cyp2c9-veith": 0.39, "cyp3a4-substrate-carbonmangels": 0.944, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "3", "pAct_q10": 5.09731830831605, "aff_pf": 1.4330948193868, "aff_hs": 0.394930233558019, "repeats_pf": {"runs": 3, "values": [1.4335, 1.3965, 1.4693], "mean": 1.4331, "spread": 0.0727}, "repeats_hs": {"runs": 3, "values": [0.4033, 0.3721, 0.4094], "mean": 0.3949, "spread": 0.0373}, "at": 1787330993}, "tier": 1, "relegate_reason": [], "submitted_at": 1787329029, "scored_at": 1787330993, "alerts": [], "rank": 5522}, {"candidate_id": "ODC-BFB1F5", "res_at": 1787013394, "skeleton": "OUDOHPBGPOBRFT", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 13.574, "axes": {"activity": 3.45, "binding": 5.86, "selectivity": 0.0, "admet": 1.84, "novelty": 1.13, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 4.807, "fraction": 0.115}, "binding": {"pIC50": 5.88, "LE": 0.322, "potency_term": 0.293, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.293}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.508, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.517, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.613, "novelty": 0.387}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "2", "pAct_q10": 4.806935711225287, "aff_pf": 0.12103875974814098, "aff_hs": -0.8424115975697836, "repeats_pf": {"runs": 3, "values": [0.0593, 0.1861, 0.1177], "mean": 0.121, "spread": 0.1268}, "repeats_hs": {"runs": 3, "values": [-0.8511, -0.8524, -0.8238], "mean": -0.8424, "spread": 0.0286}, "at": 1787013394}, "tier": 1, "relegate_reason": [], "submitted_at": 1787013191, "scored_at": 1787013394, "alerts": [], "rank": 5523}, {"candidate_id": "ODC-37FAC7", "res_at": 1788444652, "skeleton": "HBJCBHIQEZFEPE", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········n2)n1", "total": 13.549, "axes": {"activity": 7.95, "binding": 0.3, "selectivity": 0.0, "admet": 2.28, "novelty": 1.87, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 4.37, "LE": 0.222, "potency_term": 0.021, "efficiency_cap": 0.739}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.757, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.461, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.666, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 5.076912717395579, "aff_pf": 1.631455381711324, "aff_hs": 0.7127564350763956, "repeats_pf": {"runs": 3, "values": [1.6165, 1.6311, 1.6468], "mean": 1.6315, "spread": 0.0304}, "repeats_hs": {"runs": 3, "values": [0.7564, 0.7404, 0.6415], "mean": 0.7128, "spread": 0.1149}, "at": 1788444652}, "tier": 1, "alerts": [], "total_sd": 0.006, "total_ci95": [13.537, 13.562], "relegate_reason": [], "submitted_at": 1788366104, "scored_at": 1788444652, "rank": 5524}, {"candidate_id": "ODC-315617", "res_at": 1786991087, "skeleton": "KVTPGPGYWNVJKZ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 13.545, "axes": {"activity": 1.71, "binding": 5.45, "selectivity": 1.63, "admet": 2.31, "novelty": 1.44, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 4.702, "fraction": 0.057}, "binding": {"pIC50": 5.82, "LE": 0.319, "potency_term": 0.273, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.298, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.675, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.754, "cyp3a4-substrate-carbonmangels": 0.182, "ld50-zhu": 0.666, "herg": 0.102, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 4.702384003794262, "aff_pf": 0.1818045973777771, "aff_hs": 0.7778580983479818, "repeats_pf": {"runs": 3, "values": [0.2952, 0.1112, 0.139], "mean": 0.1818, "spread": 0.184}, "repeats_hs": {"runs": 3, "values": [0.7671, 0.7703, 0.7962], "mean": 0.7779, "spread": 0.0291}, "at": 1786991087}, "tier": 1, "relegate_reason": [], "submitted_at": 1786990584, "scored_at": 1786991087, "alerts": [], "rank": 5525}, {"candidate_id": "ODC-6E48D8", "res_at": 1789552206, "skeleton": "PJMOOWRGVCCPJX", "hf_user": "Bio-JS", "display_name": "0916-S1-div18", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C(F)F", "total": 13.514, "axes": {"activity": 7.17, "binding": 1.33, "selectivity": 0.51, "admet": 2.05, "novelty": 1.46, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.03, "fraction": 0.239}, "binding": {"pIC50": 5.2, "LE": 0.297, "potency_term": 0.067, "efficiency_cap": 0.99}, "selectivity": {"fold": 5.8, "selectivity_term": 0.382, "target_engagement": 0.067}, "admet": {"geometric_mean": 0.572, "per_endpoint": {"solubility-aqsoldb": 0.523, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.535, "herg": 0.661, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.030430876732945, "aff_pf": 0.7977583805720011, "aff_hs": 1.5608235597610474, "repeats_pf": {"runs": 3, "values": [0.7592, 0.7969, 0.8372], "mean": 0.7978, "spread": 0.078}, "repeats_hs": {"runs": 3, "values": [1.5955, 1.6355, 1.4514], "mean": 1.5608, "spread": 0.1841}, "at": 1789552206}, "tier": 1, "alerts": [], "total_sd": 0.19, "total_ci95": [13.124, 13.909], "relegate_reason": [], "submitted_at": 1789526876, "scored_at": 1789552206, "rank": 5526}, {"candidate_id": "ODC-CA1891", "res_at": 1787248736, "skeleton": "UNORVWAWLYPSJH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(C)C", "total": 13.509, "axes": {"activity": 7.57, "binding": 0.72, "selectivity": 0.29, "admet": 1.94, "novelty": 1.74, "synthesis": 1.26}, "detail": {"activity": {"pAct_q10": 5.054, "fraction": 0.252}, "binding": {"pIC50": 5.11, "LE": 0.333, "potency_term": 0.036, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.3, "selectivity_term": 0.398, "target_engagement": 0.036}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 0.681, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.568, "cyp2c9-veith": 0.843, "cyp3a4-substrate-carbonmangels": 0.507, "ld50-zhu": 0.558, "herg": 0.058, "dili": 0.262}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "3", "pAct_q10": 5.054051375963133, "aff_pf": 0.8919877211252848, "aff_hs": 1.688779632250468, "repeats_pf": {"runs": 3, "values": [0.8742, 0.8498, 0.9519], "mean": 0.892, "spread": 0.1022}, "repeats_hs": {"runs": 3, "values": [1.8509, 1.6149, 1.6006], "mean": 1.6888, "spread": 0.2503}, "at": 1787248736}, "tier": 1, "relegate_reason": [], "submitted_at": 1787241850, "scored_at": 1787248736, "alerts": [], "rank": 5527}, {"candidate_id": "ODC-D52EE3", "res_at": 1787561798, "skeleton": "HPHYTYUFRHJETH", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DIVBFUR01]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2o1", "total": 13.507, "axes": {"activity": 0.92, "binding": 5.91, "selectivity": 1.64, "admet": 1.74, "novelty": 1.82, "synthesis": 1.48}, "detail": {"activity": {"pAct_q10": 4.655, "fraction": 0.031}, "binding": {"pIC50": 5.89, "LE": 0.323, "potency_term": 0.296, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.278, "target_engagement": 0.296}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.26, "cyp3a4-substrate-carbonmangels": 0.419, "ld50-zhu": 0.499, "herg": 0.296, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.654900331859229, "aff_pf": 0.11286328236262004, "aff_hs": 0.6689843734105428, "repeats_pf": {"runs": 3, "values": [0.1275, 0.1135, 0.0976], "mean": 0.1129, "spread": 0.0299}, "repeats_hs": {"runs": 3, "values": [0.6052, 0.5789, 0.8229], "mean": 0.669, "spread": 0.244}, "at": 1787561798}, "tier": 1, "relegate_reason": [], "submitted_at": 1787552777, "scored_at": 1787561798, "alerts": [], "rank": 5528}, {"candidate_id": "ODC-371A3D", "res_at": 1786980027, "skeleton": "DVPOWFGEGOIPBV", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCN(C··········cccc1", "total": 13.499, "axes": {"activity": 7.94, "binding": 0.22, "selectivity": 0.0, "admet": 2.51, "novelty": 1.65, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.076, "fraction": 0.265}, "binding": {"pIC50": 4.22, "LE": 0.231, "potency_term": 0.014, "efficiency_cap": 0.772}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.672, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 0.549, "pgp-broccatelli": 0.811, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.962, "ld50-zhu": 0.526, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 5.076319111288956, "aff_pf": 1.7759421269098918, "aff_hs": 1.4809325138727825, "repeats_pf": {"runs": 3, "values": [1.7844, 1.8301, 1.7133], "mean": 1.7759, "spread": 0.1169}, "repeats_hs": {"runs": 3, "values": [1.5674, 1.6911, 1.1842], "mean": 1.4809, "spread": 0.5069}, "at": 1786980027}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977354, "scored_at": 1786980027, "alerts": [], "rank": 5529}, {"candidate_id": "ODC-831CD0", "res_at": 1788808925, "skeleton": "VPKQAOHBOURYDU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCCNC(··········nc2n1", "total": 13.49, "axes": {"activity": 5.8, "binding": 3.69, "selectivity": 0.83, "admet": 1.13, "novelty": 1.1, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.948, "fraction": 0.193}, "binding": {"pIC50": 5.63, "LE": 0.266, "potency_term": 0.208, "efficiency_cap": 0.886}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.208}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.207, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.521, "herg": 0.05, "dili": 0.104}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "0", "pAct_q10": 4.947872360772559, "aff_pf": 0.3746633231639862, "aff_hs": 0.7736518780390421, "repeats_pf": {"runs": 3, "values": [0.4615, 0.3337, 0.3288], "mean": 0.3747, "spread": 0.1327}, "repeats_hs": {"runs": 3, "values": [0.8641, 0.7199, 0.737], "mean": 0.7737, "spread": 0.1443}, "at": 1788808925}, "tier": 1, "alerts": [], "total_sd": 0.389, "total_ci95": [12.819, 14.145], "relegate_reason": [], "submitted_at": 1788737548, "scored_at": 1788808925, "rank": 5530}, {"candidate_id": "ODC-B4E8FF", "res_at": 1786968987, "skeleton": "OSCLIJDWESWUTK", "hf_user": "tteggu", "display_name": "tteggu87", "model_name": "DuckCrab GPT Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cnc··········2c1=O", "total": 13.464, "axes": {"activity": 6.51, "binding": 3.03, "selectivity": 0.41, "admet": 1.55, "novelty": 1.25, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.991, "fraction": 0.217}, "binding": {"pIC50": 5.51, "LE": 0.269, "potency_term": 0.169, "efficiency_cap": 0.898}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.169}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.554, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.497, "cyp2c9-veith": 0.815, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.706, "herg": 0.05, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.425, "novelty": 0.575}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "2", "pAct_q10": 4.99087265073349, "aff_pf": 0.4943661093711853, "aff_hs": 0.7404061953226725, "repeats_pf": {"runs": 3, "values": [0.4781, 0.5244, 0.4806], "mean": 0.4944, "spread": 0.0463}, "repeats_hs": {"runs": 3, "values": [0.7778, 0.7776, 0.6659], "mean": 0.7404, "spread": 0.1119}, "at": 1786968987}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968393, "scored_at": 1786968987, "alerts": [], "rank": 5531}, {"candidate_id": "ODC-593926", "res_at": 1786893614, "skeleton": "MUQRTHALOQSMCS", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 13.46, "axes": {"activity": 8.28, "binding": 1.0, "selectivity": 0.0, "admet": 1.67, "novelty": 1.31, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.097, "fraction": 0.276}, "binding": {"pIC50": 4.76, "LE": 0.272, "potency_term": 0.055, "efficiency_cap": 0.906}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.321, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.436, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 5.096816058359288, "aff_pf": 1.2370546261469524, "aff_hs": 1.2281899054845173, "repeats_pf": {"runs": 3, "values": [1.2744, 1.1789, 1.2579], "mean": 1.2371, "spread": 0.0955}, "repeats_hs": {"runs": 3, "values": [1.0826, 1.2577, 1.3442], "mean": 1.2282, "spread": 0.2616}, "at": 1786893614}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879177, "scored_at": 1786893614, "alerts": [], "rank": 5532}, {"candidate_id": "ODC-E3B805", "res_at": 1787954108, "skeleton": "HAKQEAMIVDQCFA", "hf_user": "Bio-JS", "display_name": "B6 성장칸 6-(옥세탄-3-일메틸)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 13.449, "axes": {"activity": 5.12, "binding": 3.93, "selectivity": 0.9, "admet": 1.27, "novelty": 1.45, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.907, "fraction": 0.171}, "binding": {"pIC50": 5.62, "LE": 0.285, "potency_term": 0.207, "efficiency_cap": 0.951}, "selectivity": {"fold": 2.7, "selectivity_term": 0.219, "target_engagement": 0.207}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.56, "caco2-wang": 0.72, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.785, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.484}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 4.90727533346805, "aff_pf": 0.38003456592559814, "aff_hs": 0.8171483874320984, "repeats_pf": {"runs": 3, "values": [0.4517, 0.4062, 0.2823], "mean": 0.38, "spread": 0.1694}, "repeats_hs": {"runs": 3, "values": [0.7995, 0.8882, 0.7638], "mean": 0.8171, "spread": 0.1243}, "at": 1787954108}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945176, "scored_at": 1787954108, "alerts": [], "rank": 5533}, {"candidate_id": "ODC-18A7C2", "res_at": 1789922945, "skeleton": "NVVOQKYPVVMTSY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 13.442, "axes": {"activity": 8.25, "binding": 0.41, "selectivity": 0.17, "admet": 1.6, "novelty": 1.64, "synthesis": 1.37}, "detail": {"activity": {"pAct_q10": 5.095, "fraction": 0.275}, "binding": {"pIC50": 5.09, "LE": 0.211, "potency_term": 0.029, "efficiency_cap": 0.704}, "selectivity": {"fold": 3.8, "selectivity_term": 0.29, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.401, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.217, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.622, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.402, "novelty": 0.598}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.094760565927592, "aff_pf": 0.9131410320599874, "aff_hs": 1.4934773047765095, "repeats_pf": {"runs": 3, "values": [0.8261, 0.8924, 1.0209], "mean": 0.9131, "spread": 0.1947}, "repeats_hs": {"runs": 3, "values": [1.3173, 1.3964, 1.7668], "mean": 1.4935, "spread": 0.4495}, "at": 1789922945}, "tier": 1, "alerts": [], "total_sd": 0.325, "total_ci95": [12.997, 14.174], "relegate_reason": [], "submitted_at": 1789907437, "scored_at": 1789922945, "rank": 5534}, {"candidate_id": "ODC-6F7450", "res_at": 1787030764, "skeleton": "HVUHNHBZFRBLLZ", "hf_user": "epicsaga", "display_name": "PFD-04", "model_name": "GLM-5.3", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2o··········nc2s1", "total": 13.431, "axes": {"activity": 7.07, "binding": 1.88, "selectivity": 0.0, "admet": 2.0, "novelty": 1.44, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.024, "fraction": 0.236}, "binding": {"pIC50": 4.98, "LE": 0.341, "potency_term": 0.094, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.072, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.696, "cyp3a4-substrate-carbonmangels": 0.343, "ld50-zhu": 0.427, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.023994334236445, "aff_pf": 1.0239086151123047, "aff_hs": 1.1686619122823079, "repeats_pf": {"runs": 3, "values": [1.0808, 0.9652, 1.0256], "mean": 1.0239, "spread": 0.1156}, "repeats_hs": {"runs": 3, "values": [1.1694, 1.1505, 1.1861], "mean": 1.1687, "spread": 0.0356}, "at": 1787030764}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029796, "scored_at": 1787030764, "alerts": [], "rank": 5535}, {"candidate_id": "ODC-3952E1", "res_at": 1786943316, "skeleton": "DJKQWMNBDKNBQH", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1ncc··········2c1=O", "total": 13.38, "axes": {"activity": 2.21, "binding": 5.27, "selectivity": 1.45, "admet": 1.96, "novelty": 1.49, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.733, "fraction": 0.074}, "binding": {"pIC50": 5.79, "LE": 0.317, "potency_term": 0.263, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.276, "target_engagement": 0.263}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.582, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.717, "cyp3a4-substrate-carbonmangels": 0.067, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 4.732540404831281, "aff_pf": 0.21018664042154947, "aff_hs": 0.7612572908401489, "repeats_pf": {"runs": 3, "values": [0.2483, 0.1326, 0.2496], "mean": 0.2102, "spread": 0.117}, "repeats_hs": {"runs": 3, "values": [0.6764, 0.7842, 0.8232], "mean": 0.7613, "spread": 0.1469}, "at": 1786943316}, "tier": 1, "relegate_reason": [], "submitted_at": 1786934023, "scored_at": 1786943316, "alerts": [], "rank": 5536}, {"candidate_id": "ODC-3C456C", "res_at": 1786887728, "skeleton": "OLVNRPFKQFJRQC", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········F)c1F", "total": 13.355, "axes": {"activity": 6.77, "binding": 2.17, "selectivity": 0.65, "admet": 1.3, "novelty": 1.58, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 5.006, "fraction": 0.226}, "binding": {"pIC50": 5.35, "LE": 0.282, "potency_term": 0.115, "efficiency_cap": 0.939}, "selectivity": {"fold": 3.7, "selectivity_term": 0.283, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.384, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.296, "ld50-zhu": 0.566, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "2", "pAct_q10": 5.005993408354086, "aff_pf": 0.6537163654963175, "aff_hs": 1.219123641649882, "repeats_pf": {"runs": 3, "values": [0.6521, 0.5677, 0.7413], "mean": 0.6537, "spread": 0.1736}, "repeats_hs": {"runs": 3, "values": [1.231, 1.2092, 1.2172], "mean": 1.2191, "spread": 0.0218}, "at": 1786887728}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879747, "scored_at": 1786887728, "alerts": [], "rank": 5537}, {"candidate_id": "ODC-99418A", "res_at": 1787329359, "skeleton": "KIONGXBLNLMOCH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········)(F)F", "total": 13.347, "axes": {"activity": 3.74, "binding": 5.13, "selectivity": 0.0, "admet": 1.65, "novelty": 1.55, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.824, "fraction": 0.125}, "binding": {"pIC50": 5.77, "LE": 0.316, "potency_term": 0.257, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.257}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.953, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.05, "dili": 0.207}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 4.824246885022741, "aff_pf": 0.230304554104805, "aff_hs": -0.3735418766736984, "repeats_pf": {"runs": 3, "values": [0.2487, 0.2694, 0.1729], "mean": 0.2303, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [-0.4362, -0.4377, -0.2467], "mean": -0.3735, "spread": 0.1911}, "at": 1787329359}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328753, "scored_at": 1787329359, "alerts": [], "rank": 5538}, {"candidate_id": "ODC-78E323", "res_at": 1787283231, "skeleton": "YDNKAFFLDWKIBB", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 13.342, "axes": {"activity": 7.96, "binding": 0.61, "selectivity": 0.0, "admet": 1.98, "novelty": 1.84, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 5.1, "LE": 0.269, "potency_term": 0.034, "efficiency_cap": 0.896}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.034}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.525, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.619, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.46, "herg": 0.054, "dili": 0.377}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 5.077366027930271, "aff_pf": 0.8980069955190023, "aff_hs": 0.8704082568486532, "repeats_pf": {"runs": 3, "values": [0.8427, 0.8934, 0.9579], "mean": 0.898, "spread": 0.1152}, "repeats_hs": {"runs": 3, "values": [0.857, 0.9311, 0.8232], "mean": 0.8704, "spread": 0.108}, "at": 1787283231}, "tier": 1, "relegate_reason": [], "submitted_at": 1787279553, "scored_at": 1787283231, "alerts": [], "rank": 5539}, {"candidate_id": "ODC-1CEB1A", "res_at": 1787382488, "skeleton": "FLSPSMOUHGSRKE", "hf_user": "Ku-ku", "display_name": "Z1_denovo_morph", "model_name": "Claude-Opus", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 13.339, "axes": {"activity": 8.32, "binding": 0.91, "selectivity": 0.0, "admet": 1.32, "novelty": 1.64, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.099, "fraction": 0.277}, "binding": {"pIC50": 4.88, "LE": 0.186, "potency_term": 0.073, "efficiency_cap": 0.618}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.669, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.779, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.796, "herg": 0.05, "dili": 0.333}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.0990476012495325, "aff_pf": 1.124531586964925, "aff_hs": 1.69509756565094, "repeats_pf": {"runs": 3, "values": [1.2793, 1.0828, 1.0116], "mean": 1.1245, "spread": 0.2677}, "repeats_hs": {"runs": 3, "values": [1.6615, 1.7025, 1.7213], "mean": 1.6951, "spread": 0.0598}, "at": 1787382488}, "tier": 1, "relegate_reason": [], "submitted_at": 1787381495, "scored_at": 1787382488, "alerts": [], "rank": 5540}, {"candidate_id": "ODC-58AA36", "res_at": 1787021858, "skeleton": "BKSQHCOXRJYRRJ", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········cc1Br", "total": 13.337, "axes": {"activity": 6.11, "binding": 3.25, "selectivity": 0.0, "admet": 1.55, "novelty": 1.45, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 4.967, "fraction": 0.204}, "binding": {"pIC50": 5.49, "LE": 0.358, "potency_term": 0.162, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.162}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.996, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.109, "cyp3a4-substrate-carbonmangels": 0.971, "ld50-zhu": 0.382, "herg": 0.42, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "2", "pAct_q10": 4.966607232063631, "aff_pf": 0.5128176907698313, "aff_hs": 0.4396986166636149, "repeats_pf": {"runs": 3, "values": [0.5973, 0.4757, 0.4654], "mean": 0.5128, "spread": 0.1319}, "repeats_hs": {"runs": 3, "values": [0.4672, 0.4115, 0.4404], "mean": 0.4397, "spread": 0.0557}, "at": 1787021858}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021379, "scored_at": 1787021858, "alerts": [], "rank": 5541}, {"candidate_id": "ODC-D8C846", "res_at": 1787920730, "skeleton": "WLQJHGASHAPGEZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 13.287, "axes": {"activity": 7.96, "binding": 0.45, "selectivity": 0.0, "admet": 1.91, "novelty": 1.74, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 5.077, "fraction": 0.265}, "binding": {"pIC50": 4.57, "LE": 0.196, "potency_term": 0.034, "efficiency_cap": 0.652}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.829, "caco2-wang": 0.46, "hia-hou": 1.0, "bioavailability-ma": 0.843, "pgp-broccatelli": 0.995, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.45, "herg": 0.05, "dili": 0.225}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 5.077465405646328, "aff_pf": 1.4286129872004192, "aff_hs": 1.2076685825983684, "repeats_pf": {"runs": 3, "values": [1.4318, 1.451, 1.4031], "mean": 1.4286, "spread": 0.0479}, "repeats_hs": {"runs": 3, "values": [1.471, 1.0261, 1.1259], "mean": 1.2077, "spread": 0.4449}, "at": 1787920730}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898889, "scored_at": 1787920730, "alerts": [], "rank": 5542}, {"candidate_id": "ODC-22231C", "res_at": 1787021834, "skeleton": "BCFZYLXYFBYTHS", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(N··········)(F)F", "total": 13.266, "axes": {"activity": 4.75, "binding": 4.32, "selectivity": 0.05, "admet": 1.61, "novelty": 1.57, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.885, "fraction": 0.158}, "binding": {"pIC50": 5.65, "LE": 0.336, "potency_term": 0.216, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.012, "target_engagement": 0.216}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.421, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 4.884982624520961, "aff_pf": 0.3513786594072978, "aff_hs": 0.3756607969601949, "repeats_pf": {"runs": 3, "values": [0.4139, 0.3786, 0.2617], "mean": 0.3514, "spread": 0.1523}, "repeats_hs": {"runs": 3, "values": [0.4022, 0.3726, 0.3522], "mean": 0.3757, "spread": 0.05}, "at": 1787021834}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021311, "scored_at": 1787021834, "alerts": [], "rank": 5543}, {"candidate_id": "ODC-4E2A95", "res_at": 1787049570, "skeleton": "ZKMPEEQCLQBQHL", "hf_user": "redcrono", "display_name": "Lukecage", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2c··········2F)n1", "total": 13.259, "axes": {"activity": 6.75, "binding": 2.12, "selectivity": 0.0, "admet": 1.77, "novelty": 1.69, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 5.005, "fraction": 0.225}, "binding": {"pIC50": 5.33, "LE": 0.292, "potency_term": 0.109, "efficiency_cap": 0.973}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.971, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.533, "cyp3a4-substrate-carbonmangels": 0.283, "ld50-zhu": 0.777, "herg": 0.087, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 5.00497622843475, "aff_pf": 0.6729580362637838, "aff_hs": 0.0731177031993866, "repeats_pf": {"runs": 3, "values": [0.677, 0.7082, 0.6337], "mean": 0.673, "spread": 0.0744}, "repeats_hs": {"runs": 3, "values": [0.1941, -0.0826, 0.1078], "mean": 0.0731, "spread": 0.2768}, "at": 1787049570}, "tier": 1, "relegate_reason": [], "submitted_at": 1787044632, "scored_at": 1787049570, "alerts": [], "rank": 5544}, {"candidate_id": "ODC-278F94", "res_at": 1787144948, "skeleton": "VYJSVLUDIRMKHO", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 13.258, "axes": {"activity": 4.22, "binding": 4.54, "selectivity": 0.85, "admet": 1.89, "novelty": 0.63, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 4.853, "fraction": 0.141}, "binding": {"pIC50": 5.68, "LE": 0.354, "potency_term": 0.227, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.188, "target_engagement": 0.227}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.335, "caco2-wang": 0.984, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.679, "cyp3a4-substrate-carbonmangels": 0.259, "ld50-zhu": 0.416, "herg": 0.867, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.723, "novelty": 0.277}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 4.853014072600763, "aff_pf": 0.3192332684993744, "aff_hs": 0.6953944762547811, "repeats_pf": {"runs": 3, "values": [0.2915, 0.3445, 0.3217], "mean": 0.3192, "spread": 0.0531}, "repeats_hs": {"runs": 3, "values": [0.7351, 0.6363, 0.7148], "mean": 0.6954, "spread": 0.0988}, "at": 1787144948}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143025, "scored_at": 1787144948, "alerts": [], "rank": 5545}, {"candidate_id": "ODC-40827B", "res_at": 1787143263, "skeleton": "VSZDLVLIJBJNPU", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 13.237, "axes": {"activity": 2.91, "binding": 4.84, "selectivity": 1.35, "admet": 1.91, "novelty": 1.02, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 4.588, "fraction": 0.097}, "binding": {"pIC50": 5.73, "LE": 0.374, "potency_term": 0.242, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.242}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.692, "cyp3a4-substrate-carbonmangels": 0.572, "ld50-zhu": 0.325, "herg": 0.366, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.58, "novelty": 0.42}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.587854298231967, "aff_pf": 0.27446219076712924, "aff_hs": 0.8344305356343588, "repeats_pf": {"runs": 3, "values": [0.4671, 0.2963, 0.06], "mean": 0.2745, "spread": 0.4072}, "repeats_hs": {"runs": 3, "values": [0.8982, 0.841, 0.7641], "mean": 0.8344, "spread": 0.1341}, "at": 1787143263}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142772, "scored_at": 1787143263, "alerts": [], "rank": 5546}, {"candidate_id": "ODC-778768", "res_at": 1787271309, "skeleton": "MFDMHKGASNNRHR", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1cc(-c2ccc(S(=O)(=O)C3(CO)CC3)c(F)c2)on1", "smiles_masked": null, "total": 13.235, "axes": {"activity": 0.98, "binding": 5.33, "selectivity": 0.84, "admet": 3.04, "novelty": 1.86, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 4.659, "fraction": 0.033}, "binding": {"pIC50": 5.8, "LE": 0.378, "potency_term": 0.266, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.157, "target_engagement": 0.266}, "admet": {"geometric_mean": 0.76, "per_endpoint": {"solubility-aqsoldb": 0.744, "caco2-wang": 0.981, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.966, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.443, "herg": 1.0, "dili": 0.162}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 4.6585782044622865, "aff_pf": 0.200528750816981, "aff_hs": 0.5140234430631002, "repeats_pf": {"runs": 3, "values": [0.1317, 0.2288, 0.241], "mean": 0.2005, "spread": 0.1093}, "repeats_hs": {"runs": 3, "values": [0.5386, 0.5351, 0.4683], "mean": 0.514, "spread": 0.0703}, "at": 1787271309}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269841, "scored_at": 1787271309, "alerts": [], "rank": 5547}, {"candidate_id": "ODC-234151", "res_at": 1787190698, "skeleton": "AOWOCCPGIJRKCM", "hf_user": "epicsaga", "display_name": "PFD7-02", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········23)c1", "total": 13.233, "axes": {"activity": 5.33, "binding": 3.55, "selectivity": 1.22, "admet": 1.17, "novelty": 1.07, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.92, "fraction": 0.178}, "binding": {"pIC50": 5.53, "LE": 0.33, "potency_term": 0.177, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.177}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.933, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.202, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.521, "ld50-zhu": 0.378, "herg": 0.05, "dili": 0.818}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.919938481585855, "aff_pf": 0.4678496718406677, "aff_hs": 1.158319393793742, "repeats_pf": {"runs": 3, "values": [0.5096, 0.479, 0.415], "mean": 0.4678, "spread": 0.0946}, "repeats_hs": {"runs": 3, "values": [1.1115, 1.1378, 1.2256], "mean": 1.1583, "spread": 0.114}, "at": 1787190698}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188690, "scored_at": 1787190698, "alerts": [], "rank": 5548}, {"candidate_id": "ODC-9D2FAE", "res_at": 1787080362, "skeleton": "MBSKVPSNPARCHQ", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 13.208, "axes": {"activity": 7.09, "binding": 1.28, "selectivity": 0.0, "admet": 2.46, "novelty": 1.79, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 5.025, "fraction": 0.236}, "binding": {"pIC50": 5.21, "LE": 0.274, "potency_term": 0.07, "efficiency_cap": 0.915}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.07}, "admet": {"geometric_mean": 0.693, "per_endpoint": {"solubility-aqsoldb": 0.603, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.153, "ld50-zhu": 0.786, "herg": 0.27, "dili": 0.577}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 4.26}}, "run": {"gpu": "2", "pAct_q10": 5.025444762966908, "aff_pf": 0.7907037933667501, "aff_hs": 0.6864750981330872, "repeats_pf": {"runs": 3, "values": [0.7224, 0.7249, 0.9248], "mean": 0.7907, "spread": 0.2024}, "repeats_hs": {"runs": 3, "values": [0.6994, 0.6, 0.76], "mean": 0.6865, "spread": 0.16}, "at": 1787080362}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069448, "scored_at": 1787080362, "alerts": [], "rank": 5549}, {"candidate_id": "ODC-F86531", "res_at": 1786807182, "skeleton": "OSFWIUCNDXQXCL", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········)cn12", "total": 13.207, "axes": {"activity": 7.54, "binding": 0.66, "selectivity": 0.09, "admet": 2.07, "novelty": 1.73, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.052, "fraction": 0.251}, "binding": {"pIC50": 5.11, "LE": 0.269, "potency_term": 0.037, "efficiency_cap": 0.897}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.037}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.392, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.836, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.593, "herg": 0.05, "dili": 0.73}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 5.052344831171876, "aff_pf": 0.8903366128603617, "aff_hs": 1.145613670349121, "repeats_pf": {"runs": 3, "values": [0.8477, 0.9018, 0.9215], "mean": 0.8903, "spread": 0.0739}, "repeats_hs": {"runs": 3, "values": [1.1741, 1.1626, 1.1001], "mean": 1.1456, "spread": 0.074}, "at": 1786807182}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789333, "scored_at": 1786807182, "alerts": [], "rank": 5550}, {"candidate_id": "ODC-D5D05E", "res_at": 1787330788, "skeleton": "TYRRKEVRLRGUNL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········nH]n1", "total": 13.204, "axes": {"activity": 7.75, "binding": 0.32, "selectivity": 0.0, "admet": 2.42, "novelty": 1.43, "synthesis": 1.29}, "detail": {"activity": {"pAct_q10": 5.065, "fraction": 0.258}, "binding": {"pIC50": 4.33, "LE": 0.258, "potency_term": 0.019, "efficiency_cap": 0.859}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.71, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.421, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "3", "pAct_q10": 5.064774318485729, "aff_pf": 1.6713629563649495, "aff_hs": 1.3266583681106567, "repeats_pf": {"runs": 3, "values": [1.6464, 1.6576, 1.71], "mean": 1.6714, "spread": 0.0636}, "repeats_hs": {"runs": 3, "values": [1.3623, 1.2986, 1.319], "mean": 1.3267, "spread": 0.0637}, "at": 1787330788}, "tier": 1, "relegate_reason": [], "submitted_at": 1787329017, "scored_at": 1787330788, "alerts": [], "rank": 5551}, {"candidate_id": "ODC-B5E604", "res_at": 1787589595, "skeleton": "NEWFZUJURDVDSL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)o1", "total": 13.182, "axes": {"activity": 5.84, "binding": 3.76, "selectivity": 0.01, "admet": 1.29, "novelty": 1.55, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.95, "fraction": 0.195}, "binding": {"pIC50": 5.56, "LE": 0.331, "potency_term": 0.188, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.285, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.476, "cyp2c9-veith": 0.589, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.311, "herg": 0.064, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.203, "novelty": 0.797}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 4.9504864374009845, "aff_pf": 0.4365141491095225, "aff_hs": 0.44347332914670307, "repeats_pf": {"runs": 3, "values": [0.3807, 0.539, 0.3899], "mean": 0.4365, "spread": 0.1583}, "repeats_hs": {"runs": 3, "values": [0.3265, 0.6972, 0.3068], "mean": 0.4435, "spread": 0.3904}, "at": 1787589595}, "tier": 1, "relegate_reason": [], "submitted_at": 1787588064, "scored_at": 1787589595, "alerts": [], "rank": 5552}, {"candidate_id": "ODC-E49DEA", "res_at": 1787039025, "skeleton": "MZTLLXFNGDXRIS", "hf_user": "PhD-Shin", "display_name": "PhD-Shin stat1006", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 13.172, "axes": {"activity": 2.27, "binding": 4.9, "selectivity": 2.11, "admet": 1.44, "novelty": 1.76, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.489, "fraction": 0.076}, "binding": {"pIC50": 5.92, "LE": 0.239, "potency_term": 0.308, "efficiency_cap": 0.796}, "selectivity": {"fold": 4.8, "selectivity_term": 0.342, "target_engagement": 0.308}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.95, "caco2-wang": 0.05, "hia-hou": 0.878, "bioavailability-ma": 0.132, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 0.542, "herg": 0.474, "dili": 0.924}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "3", "pAct_q10": 4.4888883867333975, "aff_pf": 0.07671249409516652, "aff_hs": 0.7613322536150614, "repeats_pf": {"runs": 3, "values": [0.061, 0.0495, 0.1197], "mean": 0.0767, "spread": 0.0701}, "repeats_hs": {"runs": 3, "values": [0.8678, 0.5932, 0.823], "mean": 0.7613, "spread": 0.2745}, "at": 1787039025}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035501, "scored_at": 1787039025, "alerts": [], "rank": 5553}, {"candidate_id": "ODC-F79A81", "res_at": 1787181306, "skeleton": "GCFNPDLWOCUJMD", "hf_user": "KimJarvis", "display_name": "choi", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········C1CC1", "total": 13.152, "axes": {"activity": 3.84, "binding": 4.59, "selectivity": 0.31, "admet": 1.86, "novelty": 1.43, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 4.83, "fraction": 0.128}, "binding": {"pIC50": 5.69, "LE": 0.371, "potency_term": 0.229, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.068, "target_engagement": 0.229}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.196, "cyp3a4-substrate-carbonmangels": 0.476, "ld50-zhu": 0.478, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 4.830169266921832, "aff_pf": 0.3115416467189789, "aff_hs": 0.4478667577107747, "repeats_pf": {"runs": 3, "values": [0.1813, 0.3044, 0.449], "mean": 0.3115, "spread": 0.2677}, "repeats_hs": {"runs": 3, "values": [0.4292, 0.4101, 0.5043], "mean": 0.4479, "spread": 0.0942}, "at": 1787181306}, "tier": 1, "relegate_reason": [], "submitted_at": 1787181118, "scored_at": 1787181306, "alerts": [], "rank": 5554}, {"candidate_id": "ODC-77DF62", "res_at": 1787204674, "skeleton": "KCWGXYUTCSRKLJ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=S(=O)(Nc1ccccc1-c1cc2cc[nH]c2cc1-c1ccc(-c2ccccc2)cc1)c1ccccc1", "smiles_masked": null, "total": 13.135, "axes": {"activity": 8.15, "binding": 0.27, "selectivity": 0.2, "admet": 1.29, "novelty": 1.87, "synthesis": 1.36}, "detail": {"activity": {"pAct_q10": 5.089, "fraction": 0.272}, "binding": {"pIC50": 5.06, "LE": 0.188, "potency_term": 0.022, "efficiency_cap": 0.625}, "selectivity": {"fold": 8.0, "selectivity_term": 0.451, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.383, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.477, "herg": 0.05, "dili": 0.14}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "3", "pAct_q10": 5.089293921694823, "aff_pf": 0.9350811044375101, "aff_hs": 1.837781588236491, "repeats_pf": {"runs": 3, "values": [0.919, 1.0294, 0.8569], "mean": 0.9351, "spread": 0.1725}, "repeats_hs": {"runs": 3, "values": [1.8604, 1.9184, 1.7345], "mean": 1.8378, "spread": 0.184}, "at": 1787204674}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200993, "scored_at": 1787204674, "alerts": [], "rank": 5555}, {"candidate_id": "ODC-643DB7", "res_at": 1787133779, "skeleton": "NVOIYMBGYFPFQH", "hf_user": "epicsaga", "display_name": "PFD4-03", "model_name": "GLM-5.3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········cc2n1", "total": 13.126, "axes": {"activity": 7.61, "binding": 1.19, "selectivity": 0.0, "admet": 1.59, "novelty": 1.48, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.056, "fraction": 0.254}, "binding": {"pIC50": 4.91, "LE": 0.224, "potency_term": 0.079, "efficiency_cap": 0.747}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.5, "caco2-wang": 0.522, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.953, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.5, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.056375445191863, "aff_pf": 1.0923255880673726, "aff_hs": 0.05600503087043762, "repeats_pf": {"runs": 3, "values": [0.9266, 1.2007, 1.1497], "mean": 1.0923, "spread": 0.274}, "repeats_hs": {"runs": 3, "values": [0.4121, -0.5173, 0.2732], "mean": 0.056, "spread": 0.9295}, "at": 1787133779}, "tier": 1, "relegate_reason": [], "submitted_at": 1787126964, "scored_at": 1787133779, "alerts": [], "rank": 5556}, {"candidate_id": "ODC-2407BD", "res_at": 1788070972, "skeleton": "YIAZHCMDGUZJDT", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2s1", "total": 13.124, "axes": {"activity": 7.01, "binding": 1.36, "selectivity": 0.37, "admet": 1.89, "novelty": 1.33, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.02, "fraction": 0.234}, "binding": {"pIC50": 5.2, "LE": 0.31, "potency_term": 0.068, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.268, "target_engagement": 0.068}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.272, "caco2-wang": 0.999, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.198, "cyp3a4-substrate-carbonmangels": 0.772, "ld50-zhu": 0.415, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "3", "pAct_q10": 5.0203060878220915, "aff_pf": 0.7953941822052002, "aff_hs": 1.3308486541112263, "repeats_pf": {"runs": 3, "values": [0.6918, 0.8379, 0.8565], "mean": 0.7954, "spread": 0.1647}, "repeats_hs": {"runs": 3, "values": [1.2985, 1.499, 1.195], "mean": 1.3308, "spread": 0.304}, "at": 1788070972}, "tier": 1, "alerts": [], "total_sd": 0.365, "total_ci95": [12.582, 14.001], "relegate_reason": [], "submitted_at": 1788028653, "scored_at": 1788070972, "rank": 5557}, {"candidate_id": "ODC-3284D6", "res_at": 1787913440, "skeleton": "ZWQORLFCQDAZOD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCn1c··········2c1=O", "total": 13.09, "axes": {"activity": 4.94, "binding": 4.51, "selectivity": 0.1, "admet": 1.49, "novelty": 1.26, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.896, "fraction": 0.165}, "binding": {"pIC50": 5.79, "LE": 0.256, "potency_term": 0.265, "efficiency_cap": 0.853}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.265}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.616, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.559, "cyp3a4-substrate-carbonmangels": 0.2, "ld50-zhu": 0.998, "herg": 0.05, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 3.57}}, "run": {"gpu": "0", "pAct_q10": 4.896411461275513, "aff_pf": 0.2064660998682181, "aff_hs": 0.2445554037888845, "repeats_pf": {"runs": 3, "values": [-0.0008, 0.3811, 0.2392], "mean": 0.2065, "spread": 0.3819}, "repeats_hs": {"runs": 3, "values": [0.3057, 0.1466, 0.2814], "mean": 0.2446, "spread": 0.1591}, "at": 1787913440}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898727, "scored_at": 1787913440, "alerts": [], "rank": 5558}, {"candidate_id": "ODC-335659", "res_at": 1787192110, "skeleton": "KXZAZFQEOLNEOA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cn1", "total": 13.071, "axes": {"activity": 6.4, "binding": 2.38, "selectivity": 0.3, "admet": 1.74, "novelty": 1.44, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.984, "fraction": 0.213}, "binding": {"pIC50": 5.36, "LE": 0.294, "potency_term": 0.122, "efficiency_cap": 0.98}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.122}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.542, "caco2-wang": 0.877, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.942, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.453, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 4.983756485711933, "aff_pf": 0.6351597706476847, "aff_hs": 0.8783578673998514, "repeats_pf": {"runs": 3, "values": [0.6043, 0.6894, 0.6118], "mean": 0.6352, "spread": 0.085}, "repeats_hs": {"runs": 3, "values": [0.7568, 0.8595, 1.0187], "mean": 0.8784, "spread": 0.2619}, "at": 1787192110}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188786, "scored_at": 1787192110, "alerts": [], "rank": 5559}, {"candidate_id": "ODC-0BEC82", "res_at": 1787871582, "skeleton": "GJFPZMXKTCHDER", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — QA recursive overtake [FB1-QACY01]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········F)CC1", "total": 13.05, "axes": {"activity": 7.93, "binding": 0.91, "selectivity": 0.0, "admet": 1.37, "novelty": 1.52, "synthesis": 1.32}, "detail": {"activity": {"pAct_q10": 5.076, "fraction": 0.264}, "binding": {"pIC50": 4.77, "LE": 0.242, "potency_term": 0.057, "efficiency_cap": 0.807}, "selectivity": {"fold": 3.1, "selectivity_term": 0.249, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.541, "herg": 0.05, "dili": 0.768}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.12}}, "run": {"gpu": "0", "pAct_q10": 5.075523598410973, "aff_pf": 1.2275608777999878, "aff_hs": 1.725334922472636, "repeats_pf": {"runs": 3, "values": [1.233, 1.2396, 1.21], "mean": 1.2276, "spread": 0.0296}, "repeats_hs": {"runs": 3, "values": [1.6885, 1.7492, 1.7383], "mean": 1.7253, "spread": 0.0607}, "at": 1787851657}, "tier": 1, "relegate_reason": [], "submitted_at": 1787796053, "scored_at": 1787851657, "alerts": [], "rank": 5560}, {"candidate_id": "ODC-92647E", "res_at": 1787500426, "skeleton": "YKOOEVNEVOURTI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-GC03]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC(··········O)CCO", "total": 13.049, "axes": {"activity": 2.89, "binding": 5.02, "selectivity": 0.0, "admet": 2.38, "novelty": 1.8, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 4.586, "fraction": 0.096}, "binding": {"pIC50": 5.75, "LE": 0.315, "potency_term": 0.251, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.251}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.661, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.621, "herg": 0.099, "dili": 0.38}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 4.5857118793948874, "aff_pf": 0.24662964542706808, "aff_hs": 0.05536013841629028, "repeats_pf": {"runs": 3, "values": [0.0456, 0.3921, 0.3022], "mean": 0.2466, "spread": 0.3464}, "repeats_hs": {"runs": 3, "values": [0.3588, -0.1773, -0.0154], "mean": 0.0554, "spread": 0.5361}, "at": 1787500426}, "tier": 1, "relegate_reason": [], "submitted_at": 1787493248, "scored_at": 1787500426, "alerts": [], "rank": 5561}, {"candidate_id": "ODC-7A7017", "res_at": 1789922058, "skeleton": "XARCKGUDOUZOHD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········3)CC1", "total": 13.041, "axes": {"activity": 7.63, "binding": 1.5, "selectivity": 0.0, "admet": 1.34, "novelty": 1.31, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.058, "fraction": 0.254}, "binding": {"pIC50": 5.32, "LE": 0.214, "potency_term": 0.105, "efficiency_cap": 0.714}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.105}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.196}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "2", "pAct_q10": 5.0575283672092315, "aff_pf": 0.684359629948934, "aff_hs": 0.6817880868911743, "repeats_pf": {"runs": 3, "values": [0.6152, 0.5172, 0.9207], "mean": 0.6844, "spread": 0.4035}, "repeats_hs": {"runs": 3, "values": [0.8518, 0.5971, 0.5964], "mean": 0.6818, "spread": 0.2554}, "at": 1789922058}, "tier": 1, "alerts": [], "total_sd": 0.57, "total_ci95": [11.899, 14.061], "relegate_reason": [], "submitted_at": 1789907373, "scored_at": 1789922058, "rank": 5562}, {"candidate_id": "ODC-581817", "res_at": 1789352883, "skeleton": "YDOVRJFBCXNPNR", "hf_user": "Bio-JS", "display_name": "0914-S1-div09", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 13.035, "axes": {"activity": 7.29, "binding": 1.37, "selectivity": 0.0, "admet": 1.91, "novelty": 1.42, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.037, "fraction": 0.243}, "binding": {"pIC50": 4.88, "LE": 0.279, "potency_term": 0.074, "efficiency_cap": 0.928}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.59, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.367, "herg": 0.66, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 5.037214095508705, "aff_pf": 1.1208178202311199, "aff_hs": 1.1595530112584431, "repeats_pf": {"runs": 3, "values": [1.2761, 0.8759, 1.2104], "mean": 1.1208, "spread": 0.4001}, "repeats_hs": {"runs": 3, "values": [1.1728, 1.1074, 1.1985], "mean": 1.1596, "spread": 0.0911}, "at": 1789352883}, "tier": 1, "alerts": [], "total_sd": 0.48, "total_ci95": [11.75, 13.518], "relegate_reason": [], "submitted_at": 1789346102, "scored_at": 1789352883, "rank": 5563}, {"candidate_id": "ODC-6B705B", "res_at": 1788981722, "skeleton": "ZMEPMZJXDVWLHY", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········[nH]1", "total": 12.98, "axes": {"activity": 5.21, "binding": 3.88, "selectivity": 0.03, "admet": 1.62, "novelty": 1.28, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.913, "fraction": 0.174}, "binding": {"pIC50": 5.58, "LE": 0.348, "potency_term": 0.194, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.194}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.466, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.431, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 4.912520116214377, "aff_pf": 0.41752852002779645, "aff_hs": 0.43373046318689984, "repeats_pf": {"runs": 3, "values": [0.4565, 0.4502, 0.3459], "mean": 0.4175, "spread": 0.1106}, "repeats_hs": {"runs": 3, "values": [0.4088, 0.5278, 0.3647], "mean": 0.4337, "spread": 0.1631}, "at": 1788981722}, "tier": 1, "alerts": [], "total_sd": 0.447, "total_ci95": [12.458, 14.059], "relegate_reason": [], "submitted_at": 1788972193, "scored_at": 1788981722, "rank": 5564}, {"candidate_id": "ODC-952BC7", "res_at": 1787916190, "skeleton": "WIFWOJZYFCLTGX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 12.971, "axes": {"activity": 7.7, "binding": 0.6, "selectivity": 0.0, "admet": 1.7, "novelty": 1.81, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.062, "fraction": 0.257}, "binding": {"pIC50": 4.68, "LE": 0.2, "potency_term": 0.045, "efficiency_cap": 0.668}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.509, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 0.622, "pgp-broccatelli": 0.096, "cyp2c9-veith": 0.979, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.604, "herg": 0.063, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.061719578261301, "aff_pf": 1.3224480152130127, "aff_hs": 0.8351954619089762, "repeats_pf": {"runs": 3, "values": [1.1763, 1.5967, 1.1944], "mean": 1.3224, "spread": 0.4204}, "repeats_hs": {"runs": 3, "values": [0.9099, 0.9321, 0.6635], "mean": 0.8352, "spread": 0.2686}, "at": 1787916190}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898903, "scored_at": 1787916190, "alerts": [], "rank": 5565}, {"candidate_id": "ODC-8A78AC", "res_at": 1786893226, "skeleton": "BBWGVMCOZONXTN", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 12.948, "axes": {"activity": 8.32, "binding": 0.3, "selectivity": 0.04, "admet": 1.58, "novelty": 1.52, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.099, "fraction": 0.277}, "binding": {"pIC50": 5.05, "LE": 0.288, "potency_term": 0.016, "efficiency_cap": 0.96}, "selectivity": {"fold": 1.9, "selectivity_term": 0.135, "target_engagement": 0.016}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.568, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 5.099132403737955, "aff_pf": 0.9526175657908121, "aff_hs": 1.2227197488149006, "repeats_pf": {"runs": 3, "values": [0.9571, 0.9396, 0.9612], "mean": 0.9526, "spread": 0.0215}, "repeats_hs": {"runs": 3, "values": [1.2221, 1.2609, 1.1852], "mean": 1.2227, "spread": 0.0756}, "at": 1786893226}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879142, "scored_at": 1786893226, "alerts": [], "rank": 5566}, {"candidate_id": "ODC-DF42CF", "res_at": 1786820574, "skeleton": "JDXHKAGYOVSTHI", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········F)cc1", "total": 12.921, "axes": {"activity": 7.16, "binding": 1.52, "selectivity": 0.11, "admet": 1.5, "novelty": 1.44, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.03, "fraction": 0.239}, "binding": {"pIC50": 5.23, "LE": 0.326, "potency_term": 0.076, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.072, "target_engagement": 0.076}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.999, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.232, "herg": 0.269, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "3", "pAct_q10": 5.029506743691411, "aff_pf": 0.7716350158055624, "aff_hs": 0.9147691130638123, "repeats_pf": {"runs": 3, "values": [0.7724, 0.8557, 0.6868], "mean": 0.7716, "spread": 0.1689}, "repeats_hs": {"runs": 3, "values": [0.9553, 0.8987, 0.8904], "mean": 0.9148, "spread": 0.0649}, "at": 1786820574}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789826, "scored_at": 1786820574, "alerts": [], "rank": 5567}, {"candidate_id": "ODC-30934E", "res_at": 1786836083, "skeleton": "SXCIULDPEJPINY", "hf_user": "rkrkrkekekek", "display_name": "zzzzz", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········c2)n1", "total": 12.892, "axes": {"activity": 5.45, "binding": 3.71, "selectivity": 0.3, "admet": 1.38, "novelty": 1.25, "synthesis": 0.81}, "detail": {"activity": {"pAct_q10": 4.927, "fraction": 0.182}, "binding": {"pIC50": 5.56, "LE": 0.401, "potency_term": 0.185, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.082, "target_engagement": 0.185}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.308, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "1", "pAct_q10": 4.926721751139716, "aff_pf": 0.44369637966156006, "aff_hs": 0.6077752510706583, "repeats_pf": {"runs": 3, "values": [0.4828, 0.4512, 0.3971], "mean": 0.4437, "spread": 0.0857}, "repeats_hs": {"runs": 3, "values": [0.6445, 0.5708, 0.608], "mean": 0.6078, "spread": 0.0737}, "at": 1786836083}, "tier": 1, "relegate_reason": [], "submitted_at": 1786801022, "scored_at": 1786836083, "alerts": [], "rank": 5568}, {"candidate_id": "ODC-D1B9E2", "res_at": 1786991732, "skeleton": "QDFJTZBHXKJONQ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········(C)n1", "total": 12.876, "axes": {"activity": 6.81, "binding": 2.15, "selectivity": 0.0, "admet": 1.19, "novelty": 1.68, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 5.009, "fraction": 0.227}, "binding": {"pIC50": 5.39, "LE": 0.246, "potency_term": 0.131, "efficiency_cap": 0.821}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.131}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.722, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.309, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.617, "herg": 0.154, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.0087712615245445, "aff_pf": 0.6076269547144572, "aff_hs": 0.3887966473897298, "repeats_pf": {"runs": 3, "values": [0.5494, 0.5273, 0.7462], "mean": 0.6076, "spread": 0.2189}, "repeats_hs": {"runs": 3, "values": [0.4074, 0.2263, 0.5327], "mean": 0.3888, "spread": 0.3064}, "at": 1786991732}, "tier": 1, "relegate_reason": [], "submitted_at": 1786991532, "scored_at": 1786991732, "alerts": [], "rank": 5569}, {"candidate_id": "ODC-E864F3", "res_at": 1786848551, "skeleton": "YFVFGAQXAPOMDK", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)o1", "total": 12.849, "axes": {"activity": 3.19, "binding": 4.8, "selectivity": 0.58, "admet": 2.05, "novelty": 1.23, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 4.791, "fraction": 0.106}, "binding": {"pIC50": 5.72, "LE": 0.341, "potency_term": 0.24, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.12, "target_engagement": 0.24}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.793, "ld50-zhu": 0.25, "herg": 0.38, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 4.791259516217319, "aff_pf": 0.2799762040376663, "aff_hs": 0.5208379427591959, "repeats_pf": {"runs": 3, "values": [0.46, 0.1841, 0.1958], "mean": 0.28, "spread": 0.2759}, "repeats_hs": {"runs": 3, "values": [0.4105, 0.5879, 0.5641], "mean": 0.5208, "spread": 0.1774}, "at": 1786848551}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845812, "scored_at": 1786848551, "alerts": [], "rank": 5570}, {"candidate_id": "ODC-45C092", "res_at": 1788783569, "skeleton": "RHZWXWHUTSJBMO", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Hermes Agent + RDKit MPO Pipeline", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 12.82, "axes": {"activity": 4.56, "binding": 3.73, "selectivity": 1.24, "admet": 1.32, "novelty": 1.02, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.874, "fraction": 0.152}, "binding": {"pIC50": 5.59, "LE": 0.284, "potency_term": 0.197, "efficiency_cap": 0.946}, "selectivity": {"fold": 4.3, "selectivity_term": 0.315, "target_engagement": 0.197}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.607, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.587, "herg": 0.574, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "0", "pAct_q10": 4.873883092093456, "aff_pf": 0.40772884090741474, "aff_hs": 1.037736674149831, "repeats_pf": {"runs": 3, "values": [0.5112, 0.2605, 0.4515], "mean": 0.4077, "spread": 0.2506}, "repeats_hs": {"runs": 3, "values": [1.0643, 0.5478, 1.5012], "mean": 1.0377, "spread": 0.9534}, "at": 1788783569}, "tier": 1, "alerts": [], "total_sd": 1.074, "total_ci95": [10.886, 15.009], "relegate_reason": [], "submitted_at": 1788705659, "scored_at": 1788783569, "rank": 5571}, {"candidate_id": "ODC-6D1A20", "res_at": 1787270009, "skeleton": "PEIHFWLGISFJLY", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCCCCc1ccc(S(=O)(=O)C2(CO)CCOCC2)c(O)c1", "smiles_masked": null, "total": 12.798, "axes": {"activity": 3.39, "binding": 4.4, "selectivity": 0.35, "admet": 2.17, "novelty": 1.52, "synthesis": 0.97}, "detail": {"activity": {"pAct_q10": 4.803, "fraction": 0.113}, "binding": {"pIC50": 5.66, "LE": 0.337, "potency_term": 0.22, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.22}, "admet": {"geometric_mean": 0.658, "per_endpoint": {"solubility-aqsoldb": 0.805, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.729, "cyp3a4-substrate-carbonmangels": 0.509, "ld50-zhu": 0.332, "herg": 0.103, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 4.803259399806425, "aff_pf": 0.3395528892676036, "aff_hs": 0.4963008562723796, "repeats_pf": {"runs": 3, "values": [0.4582, 0.2739, 0.2865], "mean": 0.3396, "spread": 0.1843}, "repeats_hs": {"runs": 3, "values": [0.6412, 0.3257, 0.522], "mean": 0.4963, "spread": 0.3155}, "at": 1787270009}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269802, "scored_at": 1787270009, "alerts": [], "rank": 5572}, {"candidate_id": "ODC-BC936D", "res_at": 1788982966, "skeleton": "ZSIRBOZCNLAHCZ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········Cl)c1", "total": 12.797, "axes": {"activity": 3.03, "binding": 4.05, "selectivity": 1.68, "admet": 1.67, "novelty": 1.37, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 4.782, "fraction": 0.101}, "binding": {"pIC50": 5.61, "LE": 0.349, "potency_term": 0.202, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.415, "target_engagement": 0.202}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.433, "ld50-zhu": 0.409, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 4.7818277496034645, "aff_pf": 0.3929610848426819, "aff_hs": 1.2230461835861206, "repeats_pf": {"runs": 3, "values": [0.4185, 0.4291, 0.3313], "mean": 0.393, "spread": 0.0978}, "repeats_hs": {"runs": 3, "values": [1.2025, 1.2241, 1.2426], "mean": 1.223, "spread": 0.0402}, "at": 1788982966}, "tier": 1, "alerts": [], "total_sd": 0.487, "total_ci95": [12.196, 13.929], "relegate_reason": [], "submitted_at": 1788972266, "scored_at": 1788982966, "rank": 5573}, {"candidate_id": "ODC-20BE6B", "res_at": 1787204463, "skeleton": "RZPSIBSTYMOGPA", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 12.748, "axes": {"activity": 7.46, "binding": 0.34, "selectivity": 0.0, "admet": 2.25, "novelty": 1.82, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 5.048, "fraction": 0.249}, "binding": {"pIC50": 5.06, "LE": 0.266, "potency_term": 0.019, "efficiency_cap": 0.888}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.602, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.968, "cyp3a4-substrate-carbonmangels": 0.116, "ld50-zhu": 0.589, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.51}}, "run": {"gpu": "3", "pAct_q10": 5.047785973188556, "aff_pf": 0.9428057273228964, "aff_hs": 0.6983417669932047, "repeats_pf": {"runs": 3, "values": [1.0132, 0.9313, 0.8839], "mean": 0.9428, "spread": 0.1293}, "repeats_hs": {"runs": 3, "values": [0.6307, 0.7746, 0.6897], "mean": 0.6983, "spread": 0.144}, "at": 1787204463}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200811, "scored_at": 1787204463, "alerts": [], "rank": 5574}, {"candidate_id": "ODC-42A9A7", "res_at": 1787203434, "skeleton": "BQJAIDXSIHKPMV", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1OCC··········)F)o1", "total": 12.734, "axes": {"activity": 7.48, "binding": 0.3, "selectivity": 0.0, "admet": 1.97, "novelty": 1.8, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.049, "fraction": 0.249}, "binding": {"pIC50": 4.31, "LE": 0.257, "potency_term": 0.018, "efficiency_cap": 0.856}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.527, "per_endpoint": {"solubility-aqsoldb": 0.473, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.916, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.313, "ld50-zhu": 0.308, "herg": 0.609, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.048757123161289, "aff_pf": 1.6912758350372314, "aff_hs": 1.1554388205210369, "repeats_pf": {"runs": 3, "values": [1.6465, 1.7008, 1.7265], "mean": 1.6913, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [1.1129, 1.1521, 1.2013], "mean": 1.1554, "spread": 0.0884}, "at": 1787203434}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200604, "scored_at": 1787203434, "alerts": [], "rank": 5575}, {"candidate_id": "ODC-9500C1", "res_at": 1787952713, "skeleton": "DLRQVMBHSHBJTO", "hf_user": "Bio-JS", "display_name": "B3 피롤로트라이아진 x 싸이에탄 + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········nn2c1", "total": 12.715, "axes": {"activity": 4.31, "binding": 4.67, "selectivity": 0.0, "admet": 1.17, "novelty": 1.6, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.859, "fraction": 0.144}, "binding": {"pIC50": 5.7, "LE": 0.34, "potency_term": 0.233, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.233}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.437, "herg": 0.05, "dili": 0.633}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 4.85886968079156, "aff_pf": 0.2999585767587026, "aff_hs": -0.10575961290548246, "repeats_pf": {"runs": 3, "values": [0.2079, 0.3797, 0.3123], "mean": 0.3, "spread": 0.1718}, "repeats_hs": {"runs": 3, "values": [-0.0093, -0.1773, -0.1307], "mean": -0.1058, "spread": 0.168}, "at": 1787952713}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945121, "scored_at": 1787952713, "alerts": [], "rank": 5576}, {"candidate_id": "ODC-E827EE", "res_at": 1787077833, "skeleton": "XHVHWZGKXBBOEM", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········cc2n1", "total": 12.696, "axes": {"activity": 6.15, "binding": 3.08, "selectivity": 0.35, "admet": 0.84, "novelty": 1.41, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.969, "fraction": 0.205}, "binding": {"pIC50": 5.63, "LE": 0.22, "potency_term": 0.209, "efficiency_cap": 0.734}, "selectivity": {"fold": 1.5, "selectivity_term": 0.084, "target_engagement": 0.209}, "admet": {"geometric_mean": 0.274, "per_endpoint": {"solubility-aqsoldb": 0.161, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.515, "cyp3a4-substrate-carbonmangels": 0.591, "ld50-zhu": 0.133, "herg": 0.05, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 4.969231529462674, "aff_pf": 0.3717504640420278, "aff_hs": 0.540564755598704, "repeats_pf": {"runs": 3, "values": [0.1584, 0.4501, 0.5068], "mean": 0.3718, "spread": 0.3484}, "repeats_hs": {"runs": 3, "values": [0.5691, 0.536, 0.5165], "mean": 0.5406, "spread": 0.0526}, "at": 1787077833}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066927, "scored_at": 1787077833, "alerts": [], "rank": 5577}, {"candidate_id": "ODC-43CE6B", "res_at": 1787266851, "skeleton": "YKXVMBRMRFXFDH", "hf_user": "ipsych", "display_name": "HYD-PentMe-CN-OCF3", "model_name": "Codex", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 12.672, "axes": {"activity": 7.62, "binding": 0.73, "selectivity": 0.0, "admet": 1.68, "novelty": 1.8, "synthesis": 0.84}, "detail": {"activity": {"pAct_q10": 5.057, "fraction": 0.254}, "binding": {"pIC50": 4.81, "LE": 0.174, "potency_term": 0.063, "efficiency_cap": 0.578}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.44, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.475, "hia-hou": 0.696, "bioavailability-ma": 0.656, "pgp-broccatelli": 0.599, "cyp2c9-veith": 0.987, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 1.0, "herg": 0.445, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "3", "pAct_q10": 5.05742975514556, "aff_pf": 1.186741550763448, "aff_hs": 1.3884749015172322, "repeats_pf": {"runs": 3, "values": [1.1929, 1.0894, 1.2779], "mean": 1.1867, "spread": 0.1885}, "repeats_hs": {"runs": 3, "values": [1.2401, 1.5292, 1.3961], "mean": 1.3885, "spread": 0.2891}, "at": 1787266851}, "tier": 1, "relegate_reason": [], "submitted_at": 1787265712, "scored_at": 1787266851, "alerts": [], "rank": 5578}, {"candidate_id": "ODC-B542BC", "res_at": 1787079003, "skeleton": "VXKNCKLCHCBLEI", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········nn2n1", "total": 12.664, "axes": {"activity": 6.79, "binding": 1.97, "selectivity": 0.51, "admet": 0.94, "novelty": 1.65, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 5.007, "fraction": 0.226}, "binding": {"pIC50": 5.4, "LE": 0.224, "potency_term": 0.132, "efficiency_cap": 0.747}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.367, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.2, "cyp2c9-veith": 0.23, "cyp3a4-substrate-carbonmangels": 0.557, "ld50-zhu": 0.46, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "2", "pAct_q10": 5.007171979250401, "aff_pf": 0.6040945847829183, "aff_hs": 0.9932728807131449, "repeats_pf": {"runs": 3, "values": [0.5464, 0.725, 0.5409], "mean": 0.6041, "spread": 0.1841}, "repeats_hs": {"runs": 3, "values": [1.0305, 0.9475, 1.0018], "mean": 0.9933, "spread": 0.083}, "at": 1787079003}, "tier": 1, "relegate_reason": [], "submitted_at": 1787067090, "scored_at": 1787079003, "alerts": [], "rank": 5579}, {"candidate_id": "ODC-9B6B74", "res_at": 1786859032, "skeleton": "URLBZCHMRGRADT", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········nc2n1", "total": 12.662, "axes": {"activity": 0.59, "binding": 6.91, "selectivity": 1.13, "admet": 2.44, "novelty": 0.0, "synthesis": 1.59}, "detail": {"activity": {"pAct_q10": 4.635, "fraction": 0.02}, "binding": {"pIC50": 6.04, "LE": 0.318, "potency_term": 0.346, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.164, "target_engagement": 0.346}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.991, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.342, "ld50-zhu": 0.614, "herg": 0.224, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 4.63539815626554, "aff_pf": -0.03661290556192398, "aff_hs": 0.29046544432640076, "repeats_pf": {"runs": 3, "values": [-0.0134, -0.0566, -0.0398], "mean": -0.0366, "spread": 0.0432}, "repeats_hs": {"runs": 3, "values": [0.287, 0.2967, 0.2877], "mean": 0.2905, "spread": 0.0096}, "at": 1786859032}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850322, "scored_at": 1786859032, "alerts": [], "rank": 5580}, {"candidate_id": "ODC-395207", "res_at": 1787289650, "skeleton": "RDTFXHBICLWRRN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C)cn1", "total": 12.66, "axes": {"activity": 7.55, "binding": 0.54, "selectivity": 0.0, "admet": 2.07, "novelty": 1.87, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 5.053, "fraction": 0.252}, "binding": {"pIC50": 5.09, "LE": 0.268, "potency_term": 0.03, "efficiency_cap": 0.894}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.03}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.524, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.519, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 4.24}}, "run": {"gpu": "3", "pAct_q10": 5.0529866059477735, "aff_pf": 0.909910241762797, "aff_hs": 0.39414013425509137, "repeats_pf": {"runs": 3, "values": [0.8254, 0.9561, 0.9483], "mean": 0.9099, "spread": 0.1307}, "repeats_hs": {"runs": 3, "values": [0.4641, 0.4389, 0.2794], "mean": 0.3941, "spread": 0.1847}, "at": 1787289650}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286793, "scored_at": 1787289650, "alerts": [], "rank": 5581}, {"candidate_id": "ODC-42F17A", "res_at": 1786842270, "skeleton": "ULUKSLYTCFHZKZ", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········n2)c1", "total": 12.655, "axes": {"activity": 7.36, "binding": 1.23, "selectivity": 0.0, "admet": 1.34, "novelty": 1.5, "synthesis": 1.23}, "detail": {"activity": {"pAct_q10": 5.042, "fraction": 0.245}, "binding": {"pIC50": 4.84, "LE": 0.276, "potency_term": 0.067, "efficiency_cap": 0.921}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.918, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.625, "herg": 0.077, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "2", "pAct_q10": 5.0417570829957485, "aff_pf": 1.1619055271148682, "aff_hs": 1.5436518987019856, "repeats_pf": {"runs": 3, "values": [1.1732, 1.1031, 1.2094], "mean": 1.1619, "spread": 0.1063}, "repeats_hs": {"runs": 3, "values": [1.5957, 1.4776, 1.5577], "mean": 1.5437, "spread": 0.118}, "at": 1786842270}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806856, "scored_at": 1786842270, "alerts": [], "rank": 5582}, {"candidate_id": "ODC-9454F2", "res_at": 1787561396, "skeleton": "MISXIYQVYCWZGR", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DIVCIN01]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 12.645, "axes": {"activity": 1.62, "binding": 5.72, "selectivity": 0.0, "admet": 1.97, "novelty": 1.91, "synthesis": 1.43}, "detail": {"activity": {"pAct_q10": 4.697, "fraction": 0.054}, "binding": {"pIC50": 5.86, "LE": 0.321, "potency_term": 0.286, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.286}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.383, "ld50-zhu": 0.433, "herg": 0.554, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.697228653629268, "aff_pf": 0.1422818973660469, "aff_hs": 0.02187281164030234, "repeats_pf": {"runs": 3, "values": [0.12, 0.1083, 0.1986], "mean": 0.1423, "spread": 0.0903}, "repeats_hs": {"runs": 3, "values": [0.0411, 0.0189, 0.0056], "mean": 0.0219, "spread": 0.0355}, "at": 1787561396}, "tier": 1, "relegate_reason": [], "submitted_at": 1787552745, "scored_at": 1787561396, "alerts": [], "rank": 5583}, {"candidate_id": "ODC-2DD17C", "res_at": 1789486093, "skeleton": "HLKBLFNPTCMCEX", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "-", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "NCCCc1c··········Cl)c1", "total": 12.617, "axes": {"activity": 5.92, "binding": 2.7, "selectivity": 0.31, "admet": 1.47, "novelty": 1.23, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 4.955, "fraction": 0.197}, "binding": {"pIC50": 5.41, "LE": 0.309, "potency_term": 0.135, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.117, "target_engagement": 0.135}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.669, "herg": 0.073, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "0", "pAct_q10": 4.954995956940075, "aff_pf": 0.5948339626193047, "aff_hs": 0.8280313809712728, "repeats_pf": {"runs": 3, "values": [0.0793, 0.157, 1.5482], "mean": 0.5948, "spread": 1.4689}, "repeats_hs": {"runs": 3, "values": [0.7058, 0.877, 0.9013], "mean": 0.828, "spread": 0.1955}, "at": 1789486093}, "tier": 1, "alerts": [], "total_sd": 3.364, "total_ci95": [11.115, 19.885], "relegate_reason": [], "submitted_at": 1789483870, "scored_at": 1789486093, "rank": 5584}, {"candidate_id": "ODC-8A07C6", "res_at": 1786990725, "skeleton": "RVACXVKYTPQUQQ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········c2)o1", "total": 12.615, "axes": {"activity": 1.84, "binding": 5.65, "selectivity": 0.0, "admet": 1.83, "novelty": 2.12, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 4.71, "fraction": 0.061}, "binding": {"pIC50": 5.85, "LE": 0.308, "potency_term": 0.282, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.282}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.156, "ld50-zhu": 0.757, "herg": 0.145, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 4.710337147395393, "aff_pf": 0.15255747238794962, "aff_hs": -1.0127209822336833, "repeats_pf": {"runs": 3, "values": [0.2159, 0.1139, 0.1279], "mean": 0.1526, "spread": 0.102}, "repeats_hs": {"runs": 3, "values": [-1.0209, -0.989, -1.0283], "mean": -1.0127, "spread": 0.0393}, "at": 1786990725}, "tier": 1, "relegate_reason": [], "submitted_at": 1786990547, "scored_at": 1786990725, "alerts": [], "rank": 5585}, {"candidate_id": "ODC-79B22E", "res_at": 1789548531, "skeleton": "GCVQQDDWRYECLM", "hf_user": "Bio-JS", "display_name": "0916-S1-div11", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········3)cc1", "total": 12.598, "axes": {"activity": 7.7, "binding": 0.53, "selectivity": 0.0, "admet": 1.85, "novelty": 1.33, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.062, "fraction": 0.257}, "binding": {"pIC50": 4.52, "LE": 0.269, "potency_term": 0.03, "efficiency_cap": 0.897}, "selectivity": {"fold": 1.4, "selectivity_term": 0.074, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.659, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.972, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.371, "herg": 0.293, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.482, "novelty": 0.518}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 5.061768820345783, "aff_pf": 1.4840426445007324, "aff_hs": 1.6312122344970703, "repeats_pf": {"runs": 3, "values": [1.3607, 1.7038, 1.3876], "mean": 1.484, "spread": 0.3431}, "repeats_hs": {"runs": 3, "values": [1.686, 1.6952, 1.5124], "mean": 1.6312, "spread": 0.1828}, "at": 1789548531}, "tier": 1, "alerts": [], "total_sd": 0.129, "total_ci95": [12.357, 12.793], "relegate_reason": [], "submitted_at": 1789526791, "scored_at": 1789548531, "rank": 5586}, {"candidate_id": "ODC-4C66F4", "res_at": 1788505527, "skeleton": "GKWGRSPOOOPPMB", "hf_user": "dlghkdueo", "display_name": "R6-D0", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)c1F", "total": 12.592, "axes": {"activity": 2.79, "binding": 4.04, "selectivity": 1.96, "admet": 1.49, "novelty": 1.29, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.571, "fraction": 0.093}, "binding": {"pIC50": 5.61, "LE": 0.366, "potency_term": 0.202, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.4, "selectivity_term": 0.486, "target_engagement": 0.202}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.582, "ld50-zhu": 0.343, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "0", "pAct_q10": 4.5714543895974105, "aff_pf": 0.39403122663497925, "aff_hs": 1.3666177988052368, "repeats_pf": {"runs": 3, "values": [0.5922, 0.2891, 0.3008], "mean": 0.394, "spread": 0.3031}, "repeats_hs": {"runs": 3, "values": [1.3138, 1.36, 1.426], "mean": 1.3666, "spread": 0.1122}, "at": 1788505527}, "tier": 1, "alerts": [], "total_sd": 1.528, "total_ci95": [9.118, 14.538], "relegate_reason": [], "submitted_at": 1788447911, "scored_at": 1788505527, "rank": 5587}, {"candidate_id": "ODC-E7A285", "res_at": 1787024463, "skeleton": "PBIKRVVEJJPKDA", "hf_user": "araai", "display_name": "aiara", "model_name": "Ara-β", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 12.548, "axes": {"activity": 7.09, "binding": 1.31, "selectivity": 0.0, "admet": 1.7, "novelty": 1.39, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.025, "fraction": 0.236}, "binding": {"pIC50": 4.94, "LE": 0.226, "potency_term": 0.087, "efficiency_cap": 0.752}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.98, "cyp2c9-veith": 0.564, "cyp3a4-substrate-carbonmangels": 0.479, "ld50-zhu": 0.589, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 5.0253868059388145, "aff_pf": 1.0569346745808919, "aff_hs": 0.8965233365694681, "repeats_pf": {"runs": 3, "values": [1.2343, 0.9693, 0.9673], "mean": 1.0569, "spread": 0.267}, "repeats_hs": {"runs": 3, "values": [0.881, 0.927, 0.8816], "mean": 0.8965, "spread": 0.0459}, "at": 1787024463}, "tier": 1, "relegate_reason": [], "submitted_at": 1787024102, "scored_at": 1787024463, "alerts": [], "rank": 5588}, {"candidate_id": "ODC-FBC76E", "res_at": 1788862335, "skeleton": "YTOBIHLKKSKPRD", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-26", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 12.532, "axes": {"activity": 6.07, "binding": 2.64, "selectivity": 0.0, "admet": 1.47, "novelty": 1.36, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 4.964, "fraction": 0.202}, "binding": {"pIC50": 5.4, "LE": 0.321, "potency_term": 0.132, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.614, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.251, "ld50-zhu": 0.639, "herg": 0.361, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 4.964210513667399, "aff_pf": 0.603547195593516, "aff_hs": 0.12684627125660577, "repeats_pf": {"runs": 3, "values": [0.5693, 0.6101, 0.6312], "mean": 0.6035, "spread": 0.0619}, "repeats_hs": {"runs": 3, "values": [0.0958, 0.1399, 0.1448], "mean": 0.1268, "spread": 0.049}, "at": 1788862335}, "tier": 1, "alerts": [], "total_sd": 0.099, "total_ci95": [12.347, 12.669], "relegate_reason": [], "submitted_at": 1788856674, "scored_at": 1788862335, "rank": 5589}, {"candidate_id": "ODC-73CADA", "res_at": 1786950889, "skeleton": "CQYHKKWPOBKIGX", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(-c··········cnc21", "total": 12.529, "axes": {"activity": 6.96, "binding": 0.93, "selectivity": 0.0, "admet": 1.89, "novelty": 1.76, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.017, "fraction": 0.232}, "binding": {"pIC50": 5.15, "LE": 0.282, "potency_term": 0.049, "efficiency_cap": 0.94}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.049}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.941, "cyp2c9-veith": 0.775, "cyp3a4-substrate-carbonmangels": 0.372, "ld50-zhu": 0.493, "herg": 0.05, "dili": 0.299}}, "novelty": {"max_tanimoto": 0.243, "novelty": 0.757}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 5.0174626078556, "aff_pf": 0.8521708647410074, "aff_hs": -0.18940805395444235, "repeats_pf": {"runs": 3, "values": [0.7114, 0.9272, 0.9179], "mean": 0.8522, "spread": 0.2158}, "repeats_hs": {"runs": 3, "values": [-0.2184, -0.1521, -0.1977], "mean": -0.1894, "spread": 0.0663}, "at": 1786950889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942891, "scored_at": 1786950889, "alerts": [], "rank": 5590}, {"candidate_id": "ODC-402CC5", "res_at": 1788597453, "skeleton": "PWOJQXOVVJYMPH", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 12.511, "axes": {"activity": 7.25, "binding": 1.08, "selectivity": 0.0, "admet": 1.88, "novelty": 1.3, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 5.035, "fraction": 0.242}, "binding": {"pIC50": 4.79, "LE": 0.274, "potency_term": 0.059, "efficiency_cap": 0.912}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.681, "cyp3a4-substrate-carbonmangels": 0.189, "ld50-zhu": 0.342, "herg": 0.477, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "0", "pAct_q10": 5.035237752545664, "aff_pf": 1.2077629566192627, "aff_hs": 0.7114191651344299, "repeats_pf": {"runs": 3, "values": [1.174, 1.2301, 1.2192], "mean": 1.2078, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [0.7694, 0.7061, 0.6588], "mean": 0.7114, "spread": 0.1106}, "at": 1788597453}, "tier": 1, "alerts": [], "total_sd": 0.04, "total_ci95": [12.448, 12.615], "relegate_reason": [], "submitted_at": 1788562390, "scored_at": 1788597453, "rank": 5591}, {"candidate_id": "ODC-BFBCB2", "res_at": 1787287953, "skeleton": "NUIXWLIYIMQOTP", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 12.486, "axes": {"activity": 6.58, "binding": 1.69, "selectivity": 0.0, "admet": 1.95, "novelty": 1.59, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.995, "fraction": 0.219}, "binding": {"pIC50": 4.97, "LE": 0.272, "potency_term": 0.093, "efficiency_cap": 0.908}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.634, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.895, "cyp3a4-substrate-carbonmangels": 0.085, "ld50-zhu": 0.571, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.83}}, "run": {"gpu": "3", "pAct_q10": 4.994728391235756, "aff_pf": 1.0286829074223836, "aff_hs": 0.6153426766395569, "repeats_pf": {"runs": 3, "values": [1.023, 1.0055, 1.0576], "mean": 1.0287, "spread": 0.0521}, "repeats_hs": {"runs": 3, "values": [0.5424, 0.6447, 0.6589], "mean": 0.6153, "spread": 0.1165}, "at": 1787287953}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286706, "scored_at": 1787287953, "alerts": [], "rank": 5592}, {"candidate_id": "ODC-B52025", "res_at": 1787066939, "skeleton": "IMORJBYBYALTCS", "hf_user": "PhD-Shin", "display_name": "PhD-Shin LH05", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 12.464, "axes": {"activity": 8.25, "binding": 0.6, "selectivity": 0.0, "admet": 1.16, "novelty": 1.25, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.095, "fraction": 0.275}, "binding": {"pIC50": 4.67, "LE": 0.206, "potency_term": 0.043, "efficiency_cap": 0.687}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.282, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.667, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.151, "ld50-zhu": 0.488, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.544, "novelty": 0.456}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.09487690823927, "aff_pf": 1.3345599969228108, "aff_hs": 0.33868877838055295, "repeats_pf": {"runs": 3, "values": [1.4019, 1.4016, 1.2002], "mean": 1.3346, "spread": 0.2018}, "repeats_hs": {"runs": 3, "values": [0.5983, 0.3303, 0.0874], "mean": 0.3387, "spread": 0.5109}, "at": 1787066939}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064684, "scored_at": 1787066939, "alerts": [], "rank": 5593}, {"candidate_id": "ODC-AF73AB", "res_at": 1786929921, "skeleton": "MYRKBPUDJWCWMC", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 12.44, "axes": {"activity": 7.63, "binding": 0.48, "selectivity": 0.18, "admet": 1.46, "novelty": 1.42, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.058, "fraction": 0.254}, "binding": {"pIC50": 5.1, "LE": 0.218, "potency_term": 0.033, "efficiency_cap": 0.728}, "selectivity": {"fold": 3.5, "selectivity_term": 0.271, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.382, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.595, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.275, "herg": 0.275, "dili": 0.38}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "3", "pAct_q10": 5.057678096649794, "aff_pf": 0.9006959994633993, "aff_hs": 1.4436004559199016, "repeats_pf": {"runs": 3, "values": [0.7334, 0.8702, 1.0985], "mean": 0.9007, "spread": 0.365}, "repeats_hs": {"runs": 3, "values": [1.7668, 1.5158, 1.0482], "mean": 1.4436, "spread": 0.7187}, "at": 1786929921}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924579, "scored_at": 1786929921, "alerts": [], "rank": 5594}, {"candidate_id": "ODC-B43EFA", "res_at": 1788138481, "skeleton": "FBLGFMKYSDZJJK", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-07]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········3)cc1", "total": 12.426, "axes": {"activity": 5.86, "binding": 2.91, "selectivity": 0.16, "admet": 1.55, "novelty": 1.05, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 4.952, "fraction": 0.195}, "binding": {"pIC50": 5.44, "LE": 0.298, "potency_term": 0.146, "efficiency_cap": 0.993}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.146}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.766, "cyp3a4-substrate-carbonmangels": 0.622, "ld50-zhu": 0.484, "herg": 0.384, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 4.951684150172745, "aff_pf": 0.5612535874048868, "aff_hs": 0.6716034611066183, "repeats_pf": {"runs": 3, "values": [0.614, 0.5327, 0.537], "mean": 0.5613, "spread": 0.0813}, "repeats_hs": {"runs": 3, "values": [0.7766, 0.6194, 0.6189], "mean": 0.6716, "spread": 0.1577}, "at": 1788138481}, "tier": 1, "alerts": [], "total_sd": 0.202, "total_ci95": [12.032, 12.755], "relegate_reason": [], "submitted_at": 1788138069, "scored_at": 1788138481, "rank": 5595}, {"candidate_id": "ODC-F04EC1", "res_at": 1787049081, "skeleton": "YCBMKERRIWYQNK", "hf_user": "redcrono", "display_name": "Lukecage", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2c··········c2)n1", "total": 12.415, "axes": {"activity": 7.19, "binding": 0.67, "selectivity": 0.0, "admet": 1.73, "novelty": 1.72, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.032, "fraction": 0.24}, "binding": {"pIC50": 5.1, "LE": 0.291, "potency_term": 0.034, "efficiency_cap": 0.971}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.034}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.904, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.607, "cyp3a4-substrate-carbonmangels": 0.054, "ld50-zhu": 0.718, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.031594251288509, "aff_pf": 0.8968362808227539, "aff_hs": 0.5603227516015371, "repeats_pf": {"runs": 3, "values": [0.8642, 0.9754, 0.8509], "mean": 0.8968, "spread": 0.1246}, "repeats_hs": {"runs": 3, "values": [0.4923, 0.6971, 0.4916], "mean": 0.5603, "spread": 0.2055}, "at": 1787049081}, "tier": 1, "relegate_reason": [], "submitted_at": 1787043937, "scored_at": 1787049081, "alerts": [], "rank": 5596}, {"candidate_id": "ODC-912AA6", "res_at": 1787128860, "skeleton": "ZYOPESAEDYAFRI", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1cnc··········o2)c1", "total": 12.412, "axes": {"activity": 6.26, "binding": 1.82, "selectivity": 0.25, "admet": 2.11, "novelty": 1.47, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.976, "fraction": 0.209}, "binding": {"pIC50": 5.27, "LE": 0.361, "potency_term": 0.091, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.676, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.671, "cyp3a4-substrate-carbonmangels": 0.504, "ld50-zhu": 0.415, "herg": 0.6, "dili": 0.644}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 4.31}}, "run": {"gpu": "3", "pAct_q10": 4.975517195429953, "aff_pf": 0.7270816961924235, "aff_hs": 1.000148336092631, "repeats_pf": {"runs": 3, "values": [0.6225, 0.618, 0.9408], "mean": 0.7271, "spread": 0.3227}, "repeats_hs": {"runs": 3, "values": [0.854, 1.1262, 1.0203], "mean": 1.0001, "spread": 0.2722}, "at": 1787128860}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116649, "scored_at": 1787128860, "alerts": [], "rank": 5597}, {"candidate_id": "ODC-52CD38", "res_at": 1788981004, "skeleton": "BIRHEHXCDLDGNP", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········[nH]1", "total": 12.367, "axes": {"activity": 5.3, "binding": 3.52, "selectivity": 0.02, "admet": 1.47, "novelty": 1.18, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.918, "fraction": 0.177}, "binding": {"pIC50": 5.53, "LE": 0.344, "potency_term": 0.176, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.006, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.381, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.554, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 4.917935979170542, "aff_pf": 0.47162336111068726, "aff_hs": 0.4827894369761149, "repeats_pf": {"runs": 3, "values": [0.5121, 0.4722, 0.4305], "mean": 0.4716, "spread": 0.0816}, "repeats_hs": {"runs": 3, "values": [0.5646, 0.3445, 0.5392], "mean": 0.4828, "spread": 0.2201}, "at": 1788981004}, "tier": 1, "alerts": [], "total_sd": 0.221, "total_ci95": [12.166, 12.984], "relegate_reason": [], "submitted_at": 1788972147, "scored_at": 1788981004, "rank": 5598}, {"candidate_id": "ODC-81EBD8", "res_at": 1787038642, "skeleton": "JDUASUOTTVUQCG", "hf_user": "PhD-Shin", "display_name": "PhD-Shin stat1007", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 12.356, "axes": {"activity": 1.0, "binding": 5.23, "selectivity": 1.56, "admet": 2.03, "novelty": 1.67, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.66, "fraction": 0.033}, "binding": {"pIC50": 5.98, "LE": 0.241, "potency_term": 0.326, "efficiency_cap": 0.803}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.326}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.663, "caco2-wang": 0.297, "hia-hou": 1.0, "bioavailability-ma": 0.556, "pgp-broccatelli": 0.575, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.378, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 3.69}}, "run": {"gpu": "3", "pAct_q10": 4.6598174639705086, "aff_pf": 0.022202230989933014, "aff_hs": 0.5017080505688986, "repeats_pf": {"runs": 3, "values": [-0.311, 0.0912, 0.2864], "mean": 0.0222, "spread": 0.5974}, "repeats_hs": {"runs": 3, "values": [0.525, 0.4756, 0.5045], "mean": 0.5017, "spread": 0.0494}, "at": 1787038642}, "tier": 1, "relegate_reason": [], "submitted_at": 1787035496, "scored_at": 1787038642, "alerts": [], "rank": 5599}, {"candidate_id": "ODC-073E10", "res_at": 1787236345, "skeleton": "IPOKJOCHXRCKEN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C2)n1", "total": 12.336, "axes": {"activity": 6.09, "binding": 2.38, "selectivity": 0.0, "admet": 1.59, "novelty": 1.44, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.966, "fraction": 0.203}, "binding": {"pIC50": 5.5, "LE": 0.215, "potency_term": 0.166, "efficiency_cap": 0.717}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.627, "caco2-wang": 0.414, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.85, "cyp2c9-veith": 0.681, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.783, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 4.965652184422163, "aff_pf": 0.5029165347417196, "aff_hs": -0.4386378029982249, "repeats_pf": {"runs": 3, "values": [0.3888, 0.4959, 0.6241], "mean": 0.5029, "spread": 0.2354}, "repeats_hs": {"runs": 3, "values": [-0.4662, -0.4116, -0.4381], "mean": -0.4386, "spread": 0.0546}, "at": 1787236345}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232214, "scored_at": 1787236345, "alerts": [], "rank": 5600}, {"candidate_id": "ODC-B3545D", "res_at": 1786896336, "skeleton": "WQQXVRDIZBNSAK", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········F)c1F", "total": 12.317, "axes": {"activity": 6.92, "binding": 1.09, "selectivity": 0.0, "admet": 1.7, "novelty": 1.63, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.015, "fraction": 0.231}, "binding": {"pIC50": 4.79, "LE": 0.274, "potency_term": 0.06, "efficiency_cap": 0.912}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.938, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.594, "herg": 0.75, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 5.015301466304119, "aff_pf": 1.2066935698191326, "aff_hs": 1.1030905644098918, "repeats_pf": {"runs": 3, "values": [1.3559, 1.2384, 1.0257], "mean": 1.2067, "spread": 0.3302}, "repeats_hs": {"runs": 3, "values": [1.0639, 1.1432, 1.1022], "mean": 1.1031, "spread": 0.0793}, "at": 1786896336}, "tier": 1, "relegate_reason": [], "submitted_at": 1786881285, "scored_at": 1786896336, "alerts": [], "rank": 5601}, {"candidate_id": "ODC-F869BE", "res_at": 1786864431, "skeleton": "GGKODYDSUPWBIF", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1Cc2··········C1CC1", "total": 12.313, "axes": {"activity": 6.09, "binding": 2.02, "selectivity": 0.06, "admet": 1.78, "novelty": 1.48, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.965, "fraction": 0.203}, "binding": {"pIC50": 5.3, "LE": 0.303, "potency_term": 0.101, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.028, "target_engagement": 0.101}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.75, "cyp3a4-substrate-carbonmangels": 0.178, "ld50-zhu": 0.703, "herg": 0.513, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 4.965217610430235, "aff_pf": 0.6970473726590475, "aff_hs": 0.7525339722633362, "repeats_pf": {"runs": 3, "values": [0.6517, 0.695, 0.7444], "mean": 0.697, "spread": 0.0927}, "repeats_hs": {"runs": 3, "values": [0.7678, 0.691, 0.7988], "mean": 0.7525, "spread": 0.1079}, "at": 1786864431}, "tier": 1, "relegate_reason": [], "submitted_at": 1786856908, "scored_at": 1786864431, "alerts": [], "rank": 5602}, {"candidate_id": "ODC-6E8DEB", "res_at": 1786987872, "skeleton": "ARFADWYBSYVTGU", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········cccc1", "total": 12.311, "axes": {"activity": 7.2, "binding": 0.27, "selectivity": 0.0, "admet": 2.31, "novelty": 1.39, "synthesis": 1.15}, "detail": {"activity": {"pAct_q10": 5.032, "fraction": 0.24}, "binding": {"pIC50": 4.27, "LE": 0.254, "potency_term": 0.016, "efficiency_cap": 0.848}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.896, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 0.599, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.358, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.031775620844097, "aff_pf": 1.729106863339742, "aff_hs": 1.596323291460673, "repeats_pf": {"runs": 3, "values": [1.7964, 1.7155, 1.6754], "mean": 1.7291, "spread": 0.121}, "repeats_hs": {"runs": 3, "values": [0.9971, 1.8743, 1.9176], "mean": 1.5963, "spread": 0.9205}, "at": 1786987872}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984530, "scored_at": 1786987872, "alerts": [], "rank": 5603}, {"candidate_id": "ODC-77DBEE", "res_at": 1787022398, "skeleton": "DJTSIGHUVBIZPJ", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc2n··········[nH]1", "total": 12.311, "axes": {"activity": 6.32, "binding": 1.59, "selectivity": 0.32, "admet": 1.68, "novelty": 1.42, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 4.979, "fraction": 0.211}, "binding": {"pIC50": 5.24, "LE": 0.378, "potency_term": 0.08, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.202, "target_engagement": 0.08}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.491, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.32, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 4.979477785524614, "aff_pf": 0.7613547643025717, "aff_hs": 1.166227142016093, "repeats_pf": {"runs": 3, "values": [0.6995, 0.8346, 0.75], "mean": 0.7614, "spread": 0.1352}, "repeats_hs": {"runs": 3, "values": [1.1429, 1.1206, 1.2351], "mean": 1.1662, "spread": 0.1145}, "at": 1787022398}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021452, "scored_at": 1787022398, "alerts": [], "rank": 5604}, {"candidate_id": "ODC-280F83", "res_at": 1786772745, "skeleton": "LWQLAAIARKJJOT", "hf_user": "ProPerNounpYK", "display_name": "s", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········(O)s1", "total": 12.31, "axes": {"activity": 4.12, "binding": 4.42, "selectivity": 0.07, "admet": 1.3, "novelty": 1.45, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.847, "fraction": 0.137}, "binding": {"pIC50": 5.71, "LE": 0.279, "potency_term": 0.237, "efficiency_cap": 0.932}, "selectivity": {"fold": 1.1, "selectivity_term": 0.015, "target_engagement": 0.237}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.742, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.411, "ld50-zhu": 0.356, "herg": 0.053, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 4.8471991251050985, "aff_pf": 0.28768062591552734, "aff_hs": 0.3177265524864197, "at": 1786772745}, "tier": 1, "relegate_reason": [], "submitted_at": 1786771437, "scored_at": 1786772745, "alerts": [], "rank": 5605}, {"candidate_id": "ODC-73D215", "res_at": 1788973815, "skeleton": "FXWCFBHKBJMLJS", "hf_user": "trblnfxn", "display_name": "NC-TZP-02", "model_name": "Hermes-TZP-Core-v2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1CC1C··········cnn12", "total": 12.288, "axes": {"activity": 5.22, "binding": 3.11, "selectivity": 1.05, "admet": 1.13, "novelty": 1.14, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 4.913, "fraction": 0.174}, "binding": {"pIC50": 5.53, "LE": 0.261, "potency_term": 0.178, "efficiency_cap": 0.872}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.178}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.671, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.167, "cyp3a4-substrate-carbonmangels": 0.962, "ld50-zhu": 0.533, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "0", "pAct_q10": 4.913435214758471, "aff_pf": 0.46523452798525494, "aff_hs": 1.0556316375732422, "repeats_pf": {"runs": 3, "values": [0.5577, 0.4379, 0.4002], "mean": 0.4652, "spread": 0.1575}, "repeats_hs": {"runs": 3, "values": [0.9708, 1.0987, 1.0974], "mean": 1.0556, "spread": 0.1279}, "at": 1788973815}, "tier": 1, "alerts": [], "total_sd": 0.373, "total_ci95": [11.451, 12.914], "relegate_reason": [], "submitted_at": 1788969094, "scored_at": 1788973815, "rank": 5606}, {"candidate_id": "ODC-7AC6E3", "res_at": 1788508555, "skeleton": "QHODNBCBVKDHRZ", "hf_user": "dlghkdueo", "display_name": "R6-E0", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)c1F", "total": 12.279, "axes": {"activity": 0.16, "binding": 5.1, "selectivity": 2.51, "admet": 1.84, "novelty": 1.39, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.61, "fraction": 0.005}, "binding": {"pIC50": 5.77, "LE": 0.376, "potency_term": 0.255, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.7, "selectivity_term": 0.492, "target_engagement": 0.255}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.94, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.166, "cyp3a4-substrate-carbonmangels": 0.73, "ld50-zhu": 0.307, "herg": 0.759, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 1.95}}, "run": {"gpu": "0", "pAct_q10": 4.6095835275497405, "aff_pf": 0.23485687375068665, "aff_hs": 1.219443917274475, "repeats_pf": {"runs": 3, "values": [0.311, 0.1752, 0.2183], "mean": 0.2349, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [1.1915, 1.2695, 1.1974], "mean": 1.2194, "spread": 0.078}, "at": 1788508555}, "tier": 1, "alerts": [], "total_sd": 0.606, "total_ci95": [10.898, 13.311], "relegate_reason": [], "submitted_at": 1788448172, "scored_at": 1788508555, "rank": 5607}, {"candidate_id": "ODC-66BA8F", "res_at": 1787915408, "skeleton": "UECFCFHHLFTJHR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········3)cc1", "total": 12.243, "axes": {"activity": 7.5, "binding": 0.66, "selectivity": 0.0, "admet": 2.04, "novelty": 0.8, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.05, "fraction": 0.25}, "binding": {"pIC50": 4.59, "LE": 0.274, "potency_term": 0.036, "efficiency_cap": 0.912}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.633, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.708, "cyp3a4-substrate-carbonmangels": 0.433, "ld50-zhu": 0.3, "herg": 0.47, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.68, "novelty": 0.32}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 5.04980724732038, "aff_pf": 1.4066973129908245, "aff_hs": 1.2769614458084106, "repeats_pf": {"runs": 3, "values": [1.4738, 1.3791, 1.3672], "mean": 1.4067, "spread": 0.1066}, "repeats_hs": {"runs": 3, "values": [1.3096, 1.2491, 1.2722], "mean": 1.277, "spread": 0.0605}, "at": 1787915408}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898806, "scored_at": 1787915408, "alerts": [], "rank": 5608}, {"candidate_id": "ODC-CEB285", "res_at": 1787026597, "skeleton": "IEMXAIIFUQJRIA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········CC1=O", "total": 12.24, "axes": {"activity": 2.04, "binding": 5.51, "selectivity": 0.25, "admet": 2.41, "novelty": 0.68, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 4.447, "fraction": 0.068}, "binding": {"pIC50": 5.83, "LE": 0.363, "potency_term": 0.275, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.275}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.792, "ld50-zhu": 0.318, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.755, "novelty": 0.245}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 4.446574866895574, "aff_pf": 0.17354677617549896, "aff_hs": 0.2648663769165675, "repeats_pf": {"runs": 3, "values": [0.242, 0.1054, 0.1732], "mean": 0.1735, "spread": 0.1367}, "repeats_hs": {"runs": 3, "values": [0.2799, 0.3136, 0.2011], "mean": 0.2649, "spread": 0.1124}, "at": 1787026597}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787025192, "scored_at": 1787026597, "rank": 5609}, {"candidate_id": "ODC-AD85CE", "res_at": 1787023291, "skeleton": "AGAITRXRDIQYEN", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cnc(··········3)nn1", "total": 12.219, "axes": {"activity": 6.44, "binding": 0.92, "selectivity": 0.07, "admet": 2.18, "novelty": 1.6, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.986, "fraction": 0.215}, "binding": {"pIC50": 5.14, "LE": 0.37, "potency_term": 0.046, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.077, "target_engagement": 0.046}, "admet": {"geometric_mean": 0.678, "per_endpoint": {"solubility-aqsoldb": 0.61, "caco2-wang": 0.701, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.927, "cyp3a4-substrate-carbonmangels": 0.333, "ld50-zhu": 0.421, "herg": 0.926, "dili": 0.318}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 4.986475069690164, "aff_pf": 0.8618776996930441, "aff_hs": 1.0152021447817485, "repeats_pf": {"runs": 3, "values": [0.9543, 0.8018, 0.8295], "mean": 0.8619, "spread": 0.1525}, "repeats_hs": {"runs": 3, "values": [0.9416, 1.0381, 1.0659], "mean": 1.0152, "spread": 0.1243}, "at": 1787023291}, "tier": 1, "relegate_reason": [], "submitted_at": 1787022847, "scored_at": 1787023291, "alerts": [], "rank": 5610}, {"candidate_id": "ODC-3015B3", "res_at": 1786878400, "skeleton": "JVBPKTMDVYMVEX", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········cnc12", "total": 12.176, "axes": {"activity": 6.77, "binding": 1.19, "selectivity": 0.0, "admet": 1.49, "novelty": 1.67, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.006, "fraction": 0.226}, "binding": {"pIC50": 4.83, "LE": 0.276, "potency_term": 0.065, "efficiency_cap": 0.919}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.501, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.944, "cyp2c9-veith": 0.388, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.287, "herg": 0.166, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 5.006427273825927, "aff_pf": 1.1721659104029338, "aff_hs": -0.027604336539904278, "repeats_pf": {"runs": 3, "values": [0.7886, 1.3597, 1.3682], "mean": 1.1722, "spread": 0.5796}, "repeats_hs": {"runs": 3, "values": [-0.1595, 0.2178, -0.1411], "mean": -0.0276, "spread": 0.3773}, "at": 1786878400}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872772, "scored_at": 1786878400, "alerts": [], "rank": 5611}, {"candidate_id": "ODC-369B5D", "res_at": 1788889679, "skeleton": "UPKZNYLFKULLEM", "hf_user": "trblnfxn", "display_name": "DZB-OCF3", "model_name": "DZB-v1-docking", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 12.135, "axes": {"activity": 7.27, "binding": 0.66, "selectivity": 0.0, "admet": 1.65, "novelty": 1.56, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.036, "fraction": 0.242}, "binding": {"pIC50": 4.67, "LE": 0.228, "potency_term": 0.044, "efficiency_cap": 0.761}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.479, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.378, "ld50-zhu": 0.552, "herg": 0.245, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "0", "pAct_q10": 5.035912754737139, "aff_pf": 1.332735816637675, "aff_hs": 0.5367385745048523, "repeats_pf": {"runs": 3, "values": [1.3176, 1.3714, 1.3092], "mean": 1.3327, "spread": 0.0622}, "repeats_hs": {"runs": 3, "values": [0.6029, 0.4796, 0.5278], "mean": 0.5367, "spread": 0.1233}, "at": 1788889679}, "tier": 1, "alerts": [], "total_sd": 0.029, "total_ci95": [12.069, 12.179], "relegate_reason": [], "submitted_at": 1788889030, "scored_at": 1788889679, "rank": 5612}, {"candidate_id": "ODC-3AFC19", "res_at": 1789938781, "skeleton": "CYXSJFHJFZPBRD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccn··········c2)s1", "total": 12.116, "axes": {"activity": 6.33, "binding": 1.66, "selectivity": 0.0, "admet": 1.68, "novelty": 1.4, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.98, "fraction": 0.211}, "binding": {"pIC50": 4.95, "LE": 0.283, "potency_term": 0.088, "efficiency_cap": 0.942}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.562, "ld50-zhu": 0.607, "herg": 0.901, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "0", "pAct_q10": 4.979613703243109, "aff_pf": 1.0498035748799641, "aff_hs": 1.4281403223673503, "repeats_pf": {"runs": 3, "values": [1.1491, 0.8955, 1.1049], "mean": 1.0498, "spread": 0.2536}, "repeats_hs": {"runs": 3, "values": [1.5288, 1.2197, 1.5359], "mean": 1.4281, "spread": 0.3161}, "at": 1789938781}, "tier": 1, "alerts": [], "total_sd": 0.52, "total_ci95": [10.61, 12.184], "relegate_reason": [], "submitted_at": 1789778819, "scored_at": 1789938781, "rank": 5613}, {"candidate_id": "ODC-279B65", "res_at": 1788073612, "skeleton": "ABCGFBHEEGVZQW", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nc2s1", "total": 12.112, "axes": {"activity": 6.76, "binding": 0.83, "selectivity": 0.17, "admet": 1.96, "novelty": 1.27, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.005, "fraction": 0.225}, "binding": {"pIC50": 5.13, "LE": 0.305, "potency_term": 0.042, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.042}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.188, "cyp3a4-substrate-carbonmangels": 0.744, "ld50-zhu": 0.524, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "0", "pAct_q10": 5.00547028317356, "aff_pf": 0.8748553196589152, "aff_hs": 1.2767030795415242, "repeats_pf": {"runs": 3, "values": [0.8511, 0.9184, 0.855], "mean": 0.8749, "spread": 0.0673}, "repeats_hs": {"runs": 3, "values": [1.3952, 1.1014, 1.3335], "mean": 1.2767, "spread": 0.2938}, "at": 1788073612}, "tier": 1, "alerts": [], "total_sd": 0.151, "total_ci95": [11.778, 12.352], "relegate_reason": [], "submitted_at": 1788028750, "scored_at": 1788073612, "rank": 5614}, {"candidate_id": "ODC-96A73B", "res_at": 1787942045, "skeleton": "VLPMRQBFIPLXBH", "hf_user": "dlghkdueo", "display_name": "SOMANG-B4", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········csc12", "total": 12.098, "axes": {"activity": 4.94, "binding": 3.59, "selectivity": 0.39, "admet": 1.14, "novelty": 1.19, "synthesis": 0.85}, "detail": {"activity": {"pAct_q10": 4.896, "fraction": 0.165}, "binding": {"pIC50": 5.57, "LE": 0.283, "potency_term": 0.19, "efficiency_cap": 0.942}, "selectivity": {"fold": 1.6, "selectivity_term": 0.102, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.808, "ld50-zhu": 0.504, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 4.89638380646054, "aff_pf": 0.4285529851913452, "aff_hs": 0.632281482219696, "repeats_pf": {"runs": 3, "values": [0.4271, 0.3826, 0.4759], "mean": 0.4286, "spread": 0.0932}, "repeats_hs": {"runs": 3, "values": [0.6497, 0.6351, 0.612], "mean": 0.6323, "spread": 0.0377}, "at": 1787942045}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936791, "scored_at": 1787942045, "alerts": [], "rank": 5615}, {"candidate_id": "ODC-C0918A", "res_at": 1786844536, "skeleton": "SINBPYMHVCXVGR", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "CNCc1nc(Nc2ccc(Br)c(F)c2)c2nc(C(F)(F)F)n(C)c2n1", "smiles_masked": null, "total": 12.095, "axes": {"activity": 5.02, "binding": 3.24, "selectivity": 0.65, "admet": 1.24, "novelty": 1.2, "synthesis": 0.75}, "detail": {"activity": {"pAct_q10": 4.901, "fraction": 0.167}, "binding": {"pIC50": 5.5, "LE": 0.29, "potency_term": 0.167, "efficiency_cap": 0.966}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.167}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.641, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.571, "ld50-zhu": 0.44, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 4.901453373163206, "aff_pf": 0.4978029529253642, "aff_hs": 0.8879647453625997, "repeats_pf": {"runs": 3, "values": [0.5746, 0.4761, 0.4427], "mean": 0.4978, "spread": 0.1319}, "repeats_hs": {"runs": 3, "values": [0.8764, 0.8565, 0.931], "mean": 0.888, "spread": 0.0745}, "at": 1786844536}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833063, "scored_at": 1786844536, "alerts": [], "rank": 5616}, {"candidate_id": "ODC-F72A3F", "res_at": 1786894975, "skeleton": "KLVQETRNAPTHFZ", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)nn12", "total": 12.091, "axes": {"activity": 7.44, "binding": 0.39, "selectivity": 0.0, "admet": 1.52, "novelty": 1.75, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.046, "fraction": 0.248}, "binding": {"pIC50": 5.07, "LE": 0.267, "potency_term": 0.022, "efficiency_cap": 0.89}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.335, "ld50-zhu": 0.548, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 5.046494003217477, "aff_pf": 0.9338490764300028, "aff_hs": 0.7480257948239645, "repeats_pf": {"runs": 3, "values": [0.8978, 0.9272, 0.9765], "mean": 0.9338, "spread": 0.0788}, "repeats_hs": {"runs": 3, "values": [0.7393, 0.7116, 0.7932], "mean": 0.748, "spread": 0.0817}, "at": 1786894975}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879774, "scored_at": 1786894975, "alerts": [], "rank": 5617}, {"candidate_id": "ODC-EACD3C", "res_at": 1787551853, "skeleton": "CXVQQDCMRZJVTH", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 12.055, "axes": {"activity": 8.24, "binding": 0.04, "selectivity": 0.0, "admet": 1.24, "novelty": 1.28, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 5.095, "fraction": 0.275}, "binding": {"pIC50": 5.01, "LE": 0.208, "potency_term": 0.003, "efficiency_cap": 0.693}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.003}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.434, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.658, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.725, "herg": 0.05, "dili": 0.721}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 5.094629225528507, "aff_pf": 0.9922519524892172, "aff_hs": -0.04018215058992306, "repeats_pf": {"runs": 3, "values": [0.7747, 1.1137, 1.0883], "mean": 0.9923, "spread": 0.339}, "repeats_hs": {"runs": 3, "values": [-0.0497, -0.007, -0.0638], "mean": -0.0402, "spread": 0.0568}, "at": 1787551853}, "tier": 1, "relegate_reason": [], "submitted_at": 1787532621, "scored_at": 1787551853, "alerts": [], "rank": 5618}, {"candidate_id": "ODC-16C837", "res_at": 1788810803, "skeleton": "VGNIZEFPPSRBDT", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2n1", "total": 12.043, "axes": {"activity": 4.8, "binding": 3.88, "selectivity": 0.28, "admet": 1.03, "novelty": 1.11, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.888, "fraction": 0.16}, "binding": {"pIC50": 5.63, "LE": 0.276, "potency_term": 0.211, "efficiency_cap": 0.919}, "selectivity": {"fold": 1.4, "selectivity_term": 0.066, "target_engagement": 0.211}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.328, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.486, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "0", "pAct_q10": 4.88829027690418, "aff_pf": 0.36582374572753906, "aff_hs": 0.4980686406294505, "repeats_pf": {"runs": 3, "values": [0.2495, 0.261, 0.5869], "mean": 0.3658, "spread": 0.3374}, "repeats_hs": {"runs": 3, "values": [0.4598, 0.4401, 0.5944], "mean": 0.4981, "spread": 0.1543}, "at": 1788810803}, "tier": 1, "alerts": [], "total_sd": 1.244, "total_ci95": [9.771, 13.944], "relegate_reason": [], "submitted_at": 1788737720, "scored_at": 1788810803, "rank": 5619}, {"candidate_id": "ODC-01830E", "res_at": 1787217637, "skeleton": "NTIZLPWTHRPDSH", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc2c1", "total": 12.017, "axes": {"activity": 6.77, "binding": 1.72, "selectivity": 0.0, "admet": 0.92, "novelty": 1.48, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 5.006, "fraction": 0.226}, "binding": {"pIC50": 5.31, "LE": 0.251, "potency_term": 0.103, "efficiency_cap": 0.836}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.103}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.264, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.343, "novelty": 0.657}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 5.005999250480778, "aff_pf": 0.69153360525767, "aff_hs": 0.6640171806017557, "repeats_pf": {"runs": 3, "values": [0.6583, 0.6747, 0.7416], "mean": 0.6915, "spread": 0.0833}, "repeats_hs": {"runs": 3, "values": [0.5345, 0.7748, 0.6828], "mean": 0.664, "spread": 0.2402}, "at": 1787217637}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217057, "scored_at": 1787217637, "alerts": [], "rank": 5620}, {"candidate_id": "ODC-CD4432", "res_at": 1786852901, "skeleton": "QWZFVIGGCZQWNY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 12.016, "axes": {"activity": 6.26, "binding": 1.99, "selectivity": 0.17, "admet": 1.5, "novelty": 1.23, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.975, "fraction": 0.209}, "binding": {"pIC50": 5.3, "LE": 0.316, "potency_term": 0.099, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.479, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.366, "ld50-zhu": 0.414, "herg": 0.559, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 4.975343536793976, "aff_pf": 0.7022300958633423, "aff_hs": 0.8752984404563904, "repeats_pf": {"runs": 3, "values": [0.7206, 0.7452, 0.6409], "mean": 0.7022, "spread": 0.1043}, "repeats_hs": {"runs": 3, "values": [0.8189, 0.8648, 0.9422], "mean": 0.8753, "spread": 0.1234}, "at": 1786852901}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847532, "scored_at": 1786852901, "alerts": [], "rank": 5621}, {"candidate_id": "ODC-42BE05", "res_at": 1788918009, "skeleton": "PJHZRRUNAKOTRF", "hf_user": "Bio-JS", "display_name": "0909-S1-30", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········)n2n1", "total": 12.009, "axes": {"activity": 6.08, "binding": 1.56, "selectivity": 0.37, "admet": 1.83, "novelty": 1.3, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.965, "fraction": 0.203}, "binding": {"pIC50": 5.23, "LE": 0.312, "potency_term": 0.078, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.473, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.456, "ld50-zhu": 0.417, "herg": 0.933, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "0", "pAct_q10": 4.964658395634391, "aff_pf": 0.7663061618804932, "aff_hs": 1.2376829385757446, "repeats_pf": {"runs": 3, "values": [0.7635, 0.7593, 0.7762], "mean": 0.7663, "spread": 0.0169}, "repeats_hs": {"runs": 3, "values": [1.1958, 1.3047, 1.2125], "mean": 1.2377, "spread": 0.1089}, "at": 1788918009}, "tier": 1, "alerts": [], "total_sd": 0.042, "total_ci95": [11.924, 12.088], "relegate_reason": [], "submitted_at": 1788903033, "scored_at": 1788918009, "rank": 5622}, {"candidate_id": "ODC-199919", "res_at": 1788499613, "skeleton": "YNAMQFIBGYARDW", "hf_user": "dlghkdueo", "display_name": "R6-B1", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 11.981, "axes": {"activity": 6.52, "binding": 1.2, "selectivity": 0.0, "admet": 1.8, "novelty": 1.37, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.991, "fraction": 0.217}, "binding": {"pIC50": 5.18, "LE": 0.296, "potency_term": 0.061, "efficiency_cap": 0.986}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.883, "ld50-zhu": 0.481, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "0", "pAct_q10": 4.991214016636159, "aff_pf": 0.8171659111976624, "aff_hs": 0.7092933853467306, "repeats_pf": {"runs": 3, "values": [0.9215, 0.751, 0.779], "mean": 0.8172, "spread": 0.1705}, "repeats_hs": {"runs": 3, "values": [0.6863, 0.7279, 0.7137], "mean": 0.7093, "spread": 0.0416}, "at": 1788499613}, "tier": 1, "alerts": [], "total_sd": 0.309, "total_ci95": [11.284, 12.437], "relegate_reason": [], "submitted_at": 1788447455, "scored_at": 1788499613, "rank": 5623}, {"candidate_id": "ODC-1FE457", "res_at": 1786839337, "skeleton": "FIWQKKLNNBRPBK", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········]c2n1", "total": 11.967, "axes": {"activity": 6.49, "binding": 1.04, "selectivity": 0.26, "admet": 1.72, "novelty": 1.39, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.99, "fraction": 0.216}, "binding": {"pIC50": 5.16, "LE": 0.353, "potency_term": 0.052, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.254, "target_engagement": 0.052}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 0.843, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.361, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.989651864001735, "aff_pf": 0.8439531127611796, "aff_hs": 1.3509601751963298, "repeats_pf": {"runs": 3, "values": [0.8703, 0.7997, 0.8618], "mean": 0.844, "spread": 0.0706}, "repeats_hs": {"runs": 3, "values": [1.3647, 1.3592, 1.329], "mean": 1.351, "spread": 0.0357}, "at": 1786839337}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805780, "scored_at": 1786839337, "alerts": [], "rank": 5624}, {"candidate_id": "ODC-FE4E82", "res_at": 1786849707, "skeleton": "AVKSFUHVJHFXJF", "hf_user": "JANE77-7", "display_name": "J-K", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 11.945, "axes": {"activity": 7.13, "binding": 0.37, "selectivity": 0.0, "admet": 1.83, "novelty": 1.53, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 5.028, "fraction": 0.238}, "binding": {"pIC50": 4.39, "LE": 0.251, "potency_term": 0.022, "efficiency_cap": 0.836}, "selectivity": {"fold": 1.0, "selectivity_term": 0.006, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.273, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.493, "cyp3a4-substrate-carbonmangels": 0.244, "ld50-zhu": 0.572, "herg": 0.392, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.027758079467741, "aff_pf": 1.6080399354298909, "aff_hs": 1.6206704378128052, "repeats_pf": {"runs": 3, "values": [1.6091, 1.6521, 1.5629], "mean": 1.608, "spread": 0.0891}, "repeats_hs": {"runs": 3, "values": [1.5946, 1.6387, 1.6287], "mean": 1.6207, "spread": 0.0441}, "at": 1786849707}, "tier": 1, "relegate_reason": [], "submitted_at": 1786846433, "scored_at": 1786849707, "alerts": [], "rank": 5625}, {"candidate_id": "ODC-5FF54E", "res_at": 1786845196, "skeleton": "OYXHWUTYKWLMBV", "hf_user": "1Dmeds", "display_name": "ODC26-SF-01R", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 11.938, "axes": {"activity": 7.35, "binding": 0.37, "selectivity": 0.0, "admet": 2.24, "novelty": 0.79, "synthesis": 1.19}, "detail": {"activity": {"pAct_q10": 5.041, "fraction": 0.245}, "binding": {"pIC50": 4.4, "LE": 0.251, "potency_term": 0.022, "efficiency_cap": 0.837}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.567, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.461, "ld50-zhu": 0.425, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 5.040878748119879, "aff_pf": 1.6023464997609456, "aff_hs": 1.1481685241063435, "repeats_pf": {"runs": 3, "values": [1.6126, 1.553, 1.6415], "mean": 1.6023, "spread": 0.0885}, "repeats_hs": {"runs": 3, "values": [1.0754, 1.114, 1.2551], "mean": 1.1482, "spread": 0.1798}, "at": 1786845196}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832957, "scored_at": 1786845196, "alerts": [], "rank": 5626}, {"candidate_id": "ODC-B4F970", "res_at": 1787143451, "skeleton": "QWVBIHYHPUXKHL", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 11.926, "axes": {"activity": 2.23, "binding": 4.7, "selectivity": 1.03, "admet": 1.97, "novelty": 1.04, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.734, "fraction": 0.074}, "binding": {"pIC50": 5.7, "LE": 0.34, "potency_term": 0.235, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.219, "target_engagement": 0.235}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.921, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.702, "cyp2c9-veith": 0.274, "cyp3a4-substrate-carbonmangels": 0.87, "ld50-zhu": 0.731, "herg": 0.255, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.558, "novelty": 0.442}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 4.733580526530055, "aff_pf": 0.29533904790878296, "aff_hs": 0.7327959736188253, "repeats_pf": {"runs": 3, "values": [0.3322, 0.2954, 0.2585], "mean": 0.2953, "spread": 0.0737}, "repeats_hs": {"runs": 3, "values": [0.7343, 0.7512, 0.7129], "mean": 0.7328, "spread": 0.0383}, "at": 1787143451}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142802, "scored_at": 1787143451, "alerts": [], "rank": 5627}, {"candidate_id": "ODC-E4BEF8", "res_at": 1787057052, "skeleton": "URFSGGPHFAQCFH", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C1)C2", "total": 11.92, "axes": {"activity": 5.92, "binding": 2.31, "selectivity": 0.0, "admet": 1.66, "novelty": 1.5, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.955, "fraction": 0.197}, "binding": {"pIC50": 5.35, "LE": 0.305, "potency_term": 0.115, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.397, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 0.977, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.068, "ld50-zhu": 0.794, "herg": 0.32, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 4.11}}, "run": {"gpu": "2", "pAct_q10": 4.955204712355556, "aff_pf": 0.653876523176829, "aff_hs": 0.5394076506296793, "repeats_pf": {"runs": 3, "values": [0.5338, 0.6982, 0.7296], "mean": 0.6539, "spread": 0.1958}, "repeats_hs": {"runs": 3, "values": [0.5939, 0.5368, 0.4875], "mean": 0.5394, "spread": 0.1064}, "at": 1787057052}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055771, "scored_at": 1787057052, "alerts": [], "rank": 5628}, {"candidate_id": "ODC-966C56", "res_at": 1789915262, "skeleton": "YCYLZKLMRNMMMK", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc2c1", "total": 11.905, "axes": {"activity": 7.22, "binding": 0.51, "selectivity": 0.0, "admet": 1.64, "novelty": 1.33, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 5.033, "fraction": 0.241}, "binding": {"pIC50": 4.45, "LE": 0.305, "potency_term": 0.026, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.962, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.291, "ld50-zhu": 0.115, "herg": 0.565, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.448, "novelty": 0.552}, "synthesis": {"sa_score": 1.84}}, "run": {"gpu": "0", "pAct_q10": 5.033268200010723, "aff_pf": 1.5452929735183716, "aff_hs": 1.4493506749471028, "repeats_pf": {"runs": 3, "values": [1.6514, 1.5328, 1.4517], "mean": 1.5453, "spread": 0.1997}, "repeats_hs": {"runs": 3, "values": [1.4609, 1.4873, 1.3999], "mean": 1.4494, "spread": 0.0874}, "at": 1789915262}, "tier": 1, "alerts": [], "total_sd": 0.059, "total_ci95": [11.826, 12.04], "relegate_reason": [], "submitted_at": 1789689651, "scored_at": 1789915262, "rank": 5629}, {"candidate_id": "ODC-197048", "res_at": 1786810473, "skeleton": "RJPFSGZAPXTZTB", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········)n2c1", "total": 11.904, "axes": {"activity": 6.3, "binding": 1.28, "selectivity": 0.36, "admet": 1.6, "novelty": 1.46, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 4.978, "fraction": 0.21}, "binding": {"pIC50": 5.22, "LE": 0.265, "potency_term": 0.072, "efficiency_cap": 0.882}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.072}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.683, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.543, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 4.977819394323827, "aff_pf": 0.7831249833106995, "aff_hs": 1.282581130663554, "repeats_pf": {"runs": 3, "values": [0.6795, 0.7937, 0.8762], "mean": 0.7831, "spread": 0.1968}, "repeats_hs": {"runs": 3, "values": [1.3829, 1.1722, 1.2926], "mean": 1.2826, "spread": 0.2107}, "at": 1786810473}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789441, "scored_at": 1786810473, "alerts": [], "rank": 5630}, {"candidate_id": "ODC-57667B", "res_at": 1787945650, "skeleton": "KPXNLWBDQNSALY", "hf_user": "Bio-JS", "display_name": "C1 푸로[3,2-d]피리미딘 x 옥세탄 + 메타-F", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)c2o1", "total": 11.902, "axes": {"activity": 4.47, "binding": 3.92, "selectivity": 0.0, "admet": 1.35, "novelty": 1.34, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.868, "fraction": 0.149}, "binding": {"pIC50": 5.59, "LE": 0.333, "potency_term": 0.196, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.196}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.317, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.809, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.713, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 4.867936303293184, "aff_pf": 0.4118111232916514, "aff_hs": -0.347488135099411, "repeats_pf": {"runs": 3, "values": [0.3147, 0.4833, 0.4375], "mean": 0.4118, "spread": 0.1686}, "repeats_hs": {"runs": 3, "values": [-0.3129, -0.3734, -0.3562], "mean": -0.3475, "spread": 0.0606}, "at": 1787945650}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945024, "scored_at": 1787945650, "alerts": [], "rank": 5631}, {"candidate_id": "ODC-618AB8", "res_at": 1787888447, "skeleton": "HQSBLOSGBSUHAV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R92-07", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nc2n1", "total": 11.893, "axes": {"activity": 6.76, "binding": 1.45, "selectivity": 0.0, "admet": 1.28, "novelty": 1.49, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 5.006, "fraction": 0.225}, "binding": {"pIC50": 5.29, "LE": 0.226, "potency_term": 0.096, "efficiency_cap": 0.755}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.096}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.529, "herg": 0.427, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 5.005832047406174, "aff_pf": 0.7124405105908712, "aff_hs": 0.039099802573521934, "repeats_pf": {"runs": 3, "values": [0.5144, 0.8426, 0.7803], "mean": 0.7124, "spread": 0.3281}, "repeats_hs": {"runs": 3, "values": [-0.1734, 0.0208, 0.2699], "mean": 0.0391, "spread": 0.4434}, "at": 1787888447}, "tier": 1, "relegate_reason": [], "submitted_at": 1787841186, "scored_at": 1787888447, "alerts": [], "rank": 5632}, {"candidate_id": "ODC-5F6837", "res_at": 1786979124, "skeleton": "RVOSOKDVFPEEGM", "hf_user": "PhD-Shin", "display_name": "PhD-Shin PF-stat-B", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 11.876, "axes": {"activity": 3.17, "binding": 4.84, "selectivity": 0.17, "admet": 1.47, "novelty": 1.41, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.79, "fraction": 0.106}, "binding": {"pIC50": 5.91, "LE": 0.238, "potency_term": 0.305, "efficiency_cap": 0.794}, "selectivity": {"fold": 1.1, "selectivity_term": 0.028, "target_engagement": 0.305}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.652, "caco2-wang": 0.38, "hia-hou": 1.0, "bioavailability-ma": 0.056, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.307, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "2", "pAct_q10": 4.790227392235574, "aff_pf": 0.08532731731732686, "aff_hs": 0.14039346079031625, "repeats_pf": {"runs": 3, "values": [0.0739, -0.0096, 0.1917], "mean": 0.0853, "spread": 0.2013}, "repeats_hs": {"runs": 3, "values": [0.1922, 0.193, 0.036], "mean": 0.1404, "spread": 0.157}, "at": 1786979124}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977025, "scored_at": 1786979124, "alerts": [], "rank": 5633}, {"candidate_id": "ODC-F0513A", "res_at": 1786886607, "skeleton": "VXVAYVSJJOQZRN", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 11.874, "axes": {"activity": 6.87, "binding": 1.09, "selectivity": 0.19, "admet": 1.37, "novelty": 1.44, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 5.012, "fraction": 0.229}, "binding": {"pIC50": 5.17, "LE": 0.284, "potency_term": 0.058, "efficiency_cap": 0.945}, "selectivity": {"fold": 2.1, "selectivity_term": 0.161, "target_engagement": 0.058}, "admet": {"geometric_mean": 0.399, "per_endpoint": {"solubility-aqsoldb": 0.296, "caco2-wang": 0.743, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.947, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "2", "pAct_q10": 5.01206831537723, "aff_pf": 0.826508899529775, "aff_hs": 1.14924955368042, "repeats_pf": {"runs": 3, "values": [0.9137, 0.8181, 0.7478], "mean": 0.8265, "spread": 0.1659}, "repeats_hs": {"runs": 3, "values": [1.1503, 1.2019, 1.0956], "mean": 1.1492, "spread": 0.1063}, "at": 1786886607}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879390, "scored_at": 1786886607, "alerts": [], "rank": 5634}, {"candidate_id": "ODC-42086E", "res_at": 1787133219, "skeleton": "FAJNOYXLDVOAOH", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 11.845, "axes": {"activity": 3.21, "binding": 4.32, "selectivity": 0.0, "admet": 1.82, "novelty": 1.41, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 4.793, "fraction": 0.107}, "binding": {"pIC50": 5.65, "LE": 0.352, "potency_term": 0.216, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.216}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.788, "cyp3a4-substrate-carbonmangels": 0.379, "ld50-zhu": 0.394, "herg": 0.548, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.792599603555333, "aff_pf": 0.35126535097757977, "aff_hs": 0.321159303188324, "repeats_pf": {"runs": 3, "values": [0.4301, 0.5517, 0.072], "mean": 0.3513, "spread": 0.4797}, "repeats_hs": {"runs": 3, "values": [0.3011, 0.3247, 0.3377], "mean": 0.3212, "spread": 0.0366}, "at": 1787133219}, "tier": 1, "relegate_reason": [], "submitted_at": 1787126795, "scored_at": 1787133219, "alerts": [], "rank": 5635}, {"candidate_id": "ODC-29F2D3", "res_at": 1786812215, "skeleton": "QLDIDERIQPWNHF", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 11.839, "axes": {"activity": 4.93, "binding": 3.13, "selectivity": 0.87, "admet": 1.01, "novelty": 1.17, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.896, "fraction": 0.164}, "binding": {"pIC50": 5.47, "LE": 0.3, "potency_term": 0.156, "efficiency_cap": 0.999}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 0.966, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.141, "ld50-zhu": 0.437, "herg": 0.186, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "3", "pAct_q10": 4.895718060530251, "aff_pf": 0.5307900905609131, "aff_hs": 1.0893808205922444, "repeats_pf": {"runs": 3, "values": [0.508, 0.5319, 0.5525], "mean": 0.5308, "spread": 0.0445}, "repeats_hs": {"runs": 3, "values": [0.9884, 1.1055, 1.1742], "mean": 1.0894, "spread": 0.1858}, "at": 1786812215}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789481, "scored_at": 1786812215, "alerts": [], "rank": 5636}, {"candidate_id": "ODC-5A7E9D", "res_at": 1788308605, "skeleton": "JSFXEYKDYFUBGF", "hf_user": "MJKorean", "display_name": "MJ_Arta", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 11.838, "axes": {"activity": 7.12, "binding": 0.5, "selectivity": 0.0, "admet": 1.81, "novelty": 1.42, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 5.027, "fraction": 0.237}, "binding": {"pIC50": 4.53, "LE": 0.239, "potency_term": 0.031, "efficiency_cap": 0.796}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.744, "caco2-wang": 0.497, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.621, "herg": 0.05, "dili": 0.301}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "0", "pAct_q10": 5.026905671927738, "aff_pf": 1.4665353695551555, "aff_hs": 1.171896497408549, "repeats_pf": {"runs": 3, "values": [1.4572, 1.4786, 1.4638], "mean": 1.4665, "spread": 0.0214}, "repeats_hs": {"runs": 3, "values": [1.0798, 1.1563, 1.2796], "mean": 1.1719, "spread": 0.1998}, "at": 1788308605}, "tier": 1, "alerts": [], "total_sd": 0.007, "total_ci95": [11.822, 11.851], "relegate_reason": [], "submitted_at": 1788287860, "scored_at": 1788308605, "rank": 5637}, {"candidate_id": "ODC-C2B190", "res_at": 1789926591, "skeleton": "KYBFCHNVOQVVDS", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 11.832, "axes": {"activity": 6.98, "binding": 1.05, "selectivity": 0.02, "admet": 1.71, "novelty": 1.01, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 5.019, "fraction": 0.233}, "binding": {"pIC50": 5.17, "LE": 0.283, "potency_term": 0.056, "efficiency_cap": 0.944}, "selectivity": {"fold": 1.1, "selectivity_term": 0.015, "target_engagement": 0.056}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.783, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.63, "herg": 0.55, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.018508351318683, "aff_pf": 0.8333225250244141, "aff_hs": 0.8643007675806681, "repeats_pf": {"runs": 3, "values": [0.8027, 0.8717, 0.8255], "mean": 0.8333, "spread": 0.069}, "repeats_hs": {"runs": 3, "values": [0.8397, 0.9057, 0.8475], "mean": 0.8643, "spread": 0.066}, "at": 1789926591}, "tier": 1, "alerts": [], "total_sd": 0.12, "total_ci95": [11.567, 12.055], "relegate_reason": [], "submitted_at": 1789770047, "scored_at": 1789926591, "rank": 5638}, {"candidate_id": "ODC-BB534B", "res_at": 1787080739, "skeleton": "VYJXSWNNMMRSJQ", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C3)n1", "total": 11.825, "axes": {"activity": 2.54, "binding": 4.85, "selectivity": 0.0, "admet": 2.15, "novelty": 1.93, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.534, "fraction": 0.085}, "binding": {"pIC50": 5.73, "LE": 0.302, "potency_term": 0.243, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.243}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.564, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.897, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.795, "herg": 0.146, "dili": 0.536}}, "novelty": {"max_tanimoto": 0.205, "novelty": 0.795}, "synthesis": {"sa_score": 4.98}}, "run": {"gpu": "2", "pAct_q10": 4.534044195272737, "aff_pf": 0.27216728031635284, "aff_hs": 0.26102393368879956, "repeats_pf": {"runs": 3, "values": [0.2185, 0.4079, 0.19], "mean": 0.2722, "spread": 0.2179}, "repeats_hs": {"runs": 3, "values": [0.1694, 0.0977, 0.516], "mean": 0.261, "spread": 0.4183}, "at": 1787080739}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069487, "scored_at": 1787080739, "alerts": [], "rank": 5639}, {"candidate_id": "ODC-682CBD", "res_at": 1786882079, "skeleton": "PBTYXYLMIFCUCN", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········O1)C2", "total": 11.813, "axes": {"activity": 3.68, "binding": 4.09, "selectivity": 0.83, "admet": 1.3, "novelty": 1.29, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.821, "fraction": 0.123}, "binding": {"pIC50": 5.61, "LE": 0.308, "potency_term": 0.205, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.203, "target_engagement": 0.205}, "admet": {"geometric_mean": 0.424, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.543, "herg": 0.05, "dili": 0.168}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "3", "pAct_q10": 4.820802489585705, "aff_pf": 0.3864030639330546, "aff_hs": 0.7920476794242859, "repeats_pf": {"runs": 3, "values": [0.305, 0.3413, 0.5129], "mean": 0.3864, "spread": 0.2079}, "repeats_hs": {"runs": 3, "values": [0.99, 0.6861, 0.7], "mean": 0.792, "spread": 0.304}, "at": 1786882079}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872794, "scored_at": 1786882079, "alerts": [], "rank": 5640}, {"candidate_id": "ODC-91D62B", "res_at": 1786930869, "skeleton": "FRLAXUUPOHXEMO", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cc(N··········)c1=O", "total": 11.793, "axes": {"activity": 1.85, "binding": 4.86, "selectivity": 0.0, "admet": 2.27, "novelty": 1.88, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.406, "fraction": 0.062}, "binding": {"pIC50": 5.73, "LE": 0.327, "potency_term": 0.243, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.243}, "admet": {"geometric_mean": 0.623, "per_endpoint": {"solubility-aqsoldb": 0.524, "caco2-wang": 0.967, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.668, "ld50-zhu": 0.914, "herg": 0.916, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 4.406330870038857, "aff_pf": 0.2711060643196106, "aff_hs": -0.4120980103810628, "repeats_pf": {"runs": 3, "values": [0.2592, 0.2851, 0.269], "mean": 0.2711, "spread": 0.0259}, "repeats_hs": {"runs": 3, "values": [-0.4098, -0.3961, -0.4304], "mean": -0.4121, "spread": 0.0343}, "at": 1786930869}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924858, "scored_at": 1786930869, "alerts": [], "rank": 5641}, {"candidate_id": "ODC-77B02B", "res_at": 1786845512, "skeleton": "FYPPGWLGRPQFAM", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nc(Nc2ccc(Br)c(F)c2)c2nc(C(C)(F)F)n(C)c2n1", "smiles_masked": null, "total": 11.775, "axes": {"activity": 5.09, "binding": 3.51, "selectivity": 0.0, "admet": 1.21, "novelty": 1.18, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.905, "fraction": 0.17}, "binding": {"pIC50": 5.53, "LE": 0.315, "potency_term": 0.176, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.333, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.475, "herg": 0.195, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 4.905209216932093, "aff_pf": 0.4732493956883748, "aff_hs": 0.4291662871837616, "repeats_pf": {"runs": 3, "values": [0.4855, 0.4603, 0.4739], "mean": 0.4732, "spread": 0.0252}, "repeats_hs": {"runs": 3, "values": [0.3522, 0.4904, 0.4449], "mean": 0.4292, "spread": 0.1382}, "at": 1786845512}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833066, "scored_at": 1786845512, "alerts": [], "rank": 5642}, {"candidate_id": "ODC-7B1A27", "res_at": 1786950331, "skeleton": "GNPJMPICRNIBRO", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········nc2n1", "total": 11.769, "axes": {"activity": 7.03, "binding": 0.43, "selectivity": 0.0, "admet": 1.52, "novelty": 1.75, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 5.022, "fraction": 0.234}, "binding": {"pIC50": 4.44, "LE": 0.264, "potency_term": 0.025, "efficiency_cap": 0.881}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.362, "cyp2c9-veith": 0.374, "cyp3a4-substrate-carbonmangels": 0.192, "ld50-zhu": 0.591, "herg": 0.126, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.02173812821713, "aff_pf": 1.5623382329940796, "aff_hs": 1.3035728931427002, "repeats_pf": {"runs": 3, "values": [1.634, 1.5275, 1.5255], "mean": 1.5623, "spread": 0.1084}, "repeats_hs": {"runs": 3, "values": [1.3233, 1.3135, 1.2739], "mean": 1.3036, "spread": 0.0493}, "at": 1786950331}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942860, "scored_at": 1786950331, "alerts": [], "rank": 5643}, {"candidate_id": "ODC-2D726F", "res_at": 1787195192, "skeleton": "IEYBMUBNTTUPLU", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cn1", "total": 11.746, "axes": {"activity": 6.6, "binding": 0.97, "selectivity": 0.0, "admet": 1.91, "novelty": 1.52, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.996, "fraction": 0.22}, "binding": {"pIC50": 4.75, "LE": 0.271, "potency_term": 0.054, "efficiency_cap": 0.904}, "selectivity": {"fold": 1.0, "selectivity_term": 0.007, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.617, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.587, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 4.996133592269754, "aff_pf": 1.249746600786845, "aff_hs": 1.2630808750788372, "repeats_pf": {"runs": 3, "values": [1.2693, 1.2844, 1.1956], "mean": 1.2497, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [1.356, 1.1772, 1.256], "mean": 1.2631, "spread": 0.1788}, "at": 1787195192}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192164, "scored_at": 1787195192, "alerts": [], "rank": 5644}, {"candidate_id": "ODC-32DA0A", "res_at": 1786846958, "skeleton": "ANYUJIABBCOTGU", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········)ccn1", "total": 11.744, "axes": {"activity": 5.35, "binding": 3.55, "selectivity": 0.0, "admet": 1.29, "novelty": 0.67, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.921, "fraction": 0.178}, "binding": {"pIC50": 5.53, "LE": 0.316, "potency_term": 0.178, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.178}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.48, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.913, "cyp2c9-veith": 0.664, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.439, "herg": 0.152, "dili": 0.122}}, "novelty": {"max_tanimoto": 0.625, "novelty": 0.375}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "1", "pAct_q10": 4.920726110107242, "aff_pf": 0.4669771194458008, "aff_hs": 0.1912267953157425, "repeats_pf": {"runs": 3, "values": [0.3759, 0.5249, 0.5002], "mean": 0.467, "spread": 0.149}, "repeats_hs": {"runs": 3, "values": [0.3095, 0.2801, -0.016], "mean": 0.1912, "spread": 0.3255}, "at": 1786846958}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845818, "scored_at": 1786846958, "alerts": [], "rank": 5645}, {"candidate_id": "ODC-C5C41E", "res_at": 1786991913, "skeleton": "DMVIQKFSECSRHG", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········(C)n1", "total": 11.727, "axes": {"activity": 4.45, "binding": 3.67, "selectivity": 0.0, "admet": 1.49, "novelty": 1.33, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.867, "fraction": 0.148}, "binding": {"pIC50": 5.56, "LE": 0.293, "potency_term": 0.188, "efficiency_cap": 0.977}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.188}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.904, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.683, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.746, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 4.866961661232743, "aff_pf": 0.4369280735651652, "aff_hs": 0.205667053659757, "repeats_pf": {"runs": 3, "values": [0.4896, 0.329, 0.4922], "mean": 0.4369, "spread": 0.1632}, "repeats_hs": {"runs": 3, "values": [0.2678, 0.184, 0.1652], "mean": 0.2057, "spread": 0.1027}, "at": 1786991913}, "tier": 1, "relegate_reason": [], "submitted_at": 1786991566, "scored_at": 1786991913, "alerts": [], "rank": 5646}, {"candidate_id": "ODC-7DD206", "res_at": 1787871709, "skeleton": "UEMLCHDAGZPGNA", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)(··········F)CC1", "total": 11.723, "axes": {"activity": 2.12, "binding": 4.55, "selectivity": 0.02, "admet": 2.5, "novelty": 1.64, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.462, "fraction": 0.071}, "binding": {"pIC50": 5.68, "LE": 0.354, "potency_term": 0.228, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.004, "target_engagement": 0.228}, "admet": {"geometric_mean": 0.733, "per_endpoint": {"solubility-aqsoldb": 0.743, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.761, "herg": 0.33, "dili": 0.363}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 4.4619472247595375, "aff_pf": 0.3174789845943451, "aff_hs": 0.32549818356831867, "repeats_pf": {"runs": 3, "values": [0.3618, 0.1769, 0.4138], "mean": 0.3175, "spread": 0.237}, "repeats_hs": {"runs": 3, "values": [0.3342, 0.2784, 0.3639], "mean": 0.3255, "spread": 0.0855}, "at": 1787853023}, "tier": 1, "relegate_reason": [], "submitted_at": 1787799693, "scored_at": 1787853023, "alerts": [], "rank": 5647}, {"candidate_id": "ODC-A2E5F7", "res_at": 1786816152, "skeleton": "YHXGGJVZZSAPEP", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········ccn12", "total": 11.701, "axes": {"activity": 6.13, "binding": 1.63, "selectivity": 0.0, "admet": 1.66, "novelty": 1.37, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 4.968, "fraction": 0.204}, "binding": {"pIC50": 4.97, "LE": 0.262, "potency_term": 0.093, "efficiency_cap": 0.873}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.874, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.571, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 4.967683062301634, "aff_pf": 1.027919073899587, "aff_hs": 1.1465736230214436, "repeats_pf": {"runs": 3, "values": [0.9767, 1.0993, 1.0078], "mean": 1.0279, "spread": 0.1226}, "repeats_hs": {"runs": 3, "values": [1.0737, 1.3017, 1.0643], "mean": 1.1466, "spread": 0.2373}, "at": 1786816152}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789551, "scored_at": 1786816152, "alerts": [], "rank": 5648}, {"candidate_id": "ODC-126D4E", "res_at": 1788812746, "skeleton": "BIPLVUCNXDUOCU", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········nc2n1", "total": 11.699, "axes": {"activity": 5.91, "binding": 2.57, "selectivity": 0.0, "admet": 1.16, "novelty": 1.1, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.954, "fraction": 0.197}, "binding": {"pIC50": 5.42, "LE": 0.275, "potency_term": 0.14, "efficiency_cap": 0.917}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.14}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.473, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.301, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "0", "pAct_q10": 4.954380298301627, "aff_pf": 0.5790983935197195, "aff_hs": 0.5456316769123077, "repeats_pf": {"runs": 3, "values": [0.4635, 0.6764, 0.5974], "mean": 0.5791, "spread": 0.213}, "repeats_hs": {"runs": 3, "values": [0.6201, 0.4034, 0.6134], "mean": 0.5456, "spread": 0.2167}, "at": 1788812746}, "tier": 1, "alerts": [], "total_sd": 0.384, "total_ci95": [11.069, 12.622], "relegate_reason": [], "submitted_at": 1788737882, "scored_at": 1788812746, "rank": 5649}, {"candidate_id": "ODC-6518A7", "res_at": 1788860436, "skeleton": "OMWCBTFRCOIQOC", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-22", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········nc2n1", "total": 11.66, "axes": {"activity": 6.24, "binding": 1.36, "selectivity": 0.0, "admet": 1.73, "novelty": 1.29, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 4.974, "fraction": 0.208}, "binding": {"pIC50": 4.85, "LE": 0.302, "potency_term": 0.068, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.65, "cyp3a4-substrate-carbonmangels": 0.353, "ld50-zhu": 0.401, "herg": 0.663, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "0", "pAct_q10": 4.974103044856272, "aff_pf": 1.1531871954600017, "aff_hs": 0.7416687806447347, "repeats_pf": {"runs": 3, "values": [1.2044, 1.1525, 1.1026], "mean": 1.1532, "spread": 0.1018}, "repeats_hs": {"runs": 3, "values": [0.7516, 0.7923, 0.6811], "mean": 0.7417, "spread": 0.1113}, "at": 1788860436}, "tier": 1, "alerts": [], "total_sd": 0.074, "total_ci95": [11.547, 11.843], "relegate_reason": [], "submitted_at": 1788856551, "scored_at": 1788860436, "rank": 5650}, {"candidate_id": "ODC-82CEE5", "res_at": 1786887915, "skeleton": "MTBYBNAYEOGOIS", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(B··········)nn12", "total": 11.644, "axes": {"activity": 6.73, "binding": 1.05, "selectivity": 0.14, "admet": 1.21, "novelty": 1.6, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 5.004, "fraction": 0.224}, "binding": {"pIC50": 5.17, "LE": 0.273, "potency_term": 0.058, "efficiency_cap": 0.909}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.058}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.758, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.128, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.608, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 5.003673197664444, "aff_pf": 0.8262532154719034, "aff_hs": 1.0718814531962078, "repeats_pf": {"runs": 3, "values": [0.9347, 0.8372, 0.7069], "mean": 0.8263, "spread": 0.2277}, "repeats_hs": {"runs": 3, "values": [1.0055, 1.1377, 1.0725], "mean": 1.0719, "spread": 0.1322}, "at": 1786887915}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879765, "scored_at": 1786887915, "alerts": [], "rank": 5651}, {"candidate_id": "ODC-60A19E", "res_at": 1786846411, "skeleton": "SFXZPFLKISXFHI", "hf_user": "scala39", "display_name": "scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 11.643, "axes": {"activity": 7.0, "binding": 0.92, "selectivity": 0.0, "admet": 1.69, "novelty": 1.1, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 5.02, "fraction": 0.233}, "binding": {"pIC50": 4.76, "LE": 0.251, "potency_term": 0.055, "efficiency_cap": 0.836}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.726, "caco2-wang": 0.685, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.984, "cyp2c9-veith": 0.943, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.604, "herg": 0.08, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.529, "novelty": 0.471}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "1", "pAct_q10": 5.019876034770644, "aff_pf": 1.240537126859029, "aff_hs": 1.1677115360895793, "repeats_pf": {"runs": 3, "values": [1.2284, 1.233, 1.2603], "mean": 1.2405, "spread": 0.032}, "repeats_hs": {"runs": 3, "values": [1.5792, 1.4212, 0.5027], "mean": 1.1677, "spread": 1.0766}, "at": 1786846411}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845617, "scored_at": 1786846411, "alerts": [], "rank": 5652}, {"candidate_id": "ODC-8650E0", "res_at": 1788831051, "skeleton": "NUYHOZHVXPHLOO", "hf_user": "daehan1123", "display_name": "Codex", "model_name": "Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········1CCC1", "total": 11.633, "axes": {"activity": 5.91, "binding": 1.92, "selectivity": 0.0, "admet": 1.37, "novelty": 1.5, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.954, "fraction": 0.197}, "binding": {"pIC50": 5.29, "LE": 0.315, "potency_term": 0.096, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.096}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.99, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.292, "cyp3a4-substrate-carbonmangels": 0.051, "ld50-zhu": 0.654, "herg": 0.358, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 4.954434085357687, "aff_pf": 0.711504856745402, "aff_hs": 0.6493284304936727, "repeats_pf": {"runs": 3, "values": [0.6901, 0.6279, 0.8166], "mean": 0.7115, "spread": 0.1887}, "repeats_hs": {"runs": 3, "values": [0.5798, 0.6395, 0.7287], "mean": 0.6493, "spread": 0.1489}, "at": 1788831051}, "tier": 1, "alerts": [], "total_sd": 0.304, "total_ci95": [11.213, 12.217], "relegate_reason": [], "submitted_at": 1788829389, "scored_at": 1788831051, "rank": 5653}, {"candidate_id": "ODC-FA3840", "res_at": 1787021475, "skeleton": "BFVNBTWKZQFGGC", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cnc2··········sc2c1", "total": 11.621, "axes": {"activity": 5.42, "binding": 2.14, "selectivity": 0.42, "admet": 1.45, "novelty": 1.33, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.925, "fraction": 0.181}, "binding": {"pIC50": 5.32, "LE": 0.384, "potency_term": 0.107, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.351, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.362, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.925139310086933, "aff_pf": 0.6786138415336609, "aff_hs": 1.0681565602620442, "repeats_pf": {"runs": 3, "values": [0.6205, 0.7129, 0.7024], "mean": 0.6786, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [1.1954, 1.015, 0.9941], "mean": 1.0682, "spread": 0.2014}, "at": 1787021475}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021287, "scored_at": 1787021475, "alerts": [], "rank": 5654}, {"candidate_id": "ODC-B0622B", "res_at": 1787058644, "skeleton": "QVEFQDVQMCVUGT", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C2)C1", "total": 11.606, "axes": {"activity": 3.94, "binding": 3.35, "selectivity": 0.64, "admet": 1.83, "novelty": 1.19, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.837, "fraction": 0.131}, "binding": {"pIC50": 5.5, "LE": 0.359, "potency_term": 0.167, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.167}, "admet": {"geometric_mean": 0.729, "per_endpoint": {"solubility-aqsoldb": 0.689, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.596, "herg": 0.129, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "2", "pAct_q10": 4.836635966241102, "aff_pf": 0.4977311094601949, "aff_hs": 0.8797349135080973, "repeats_pf": {"runs": 3, "values": [0.5559, 0.5053, 0.432], "mean": 0.4977, "spread": 0.1239}, "repeats_hs": {"runs": 3, "values": [0.9197, 1.1146, 0.6048], "mean": 0.8797, "spread": 0.5098}, "at": 1787058644}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057823, "scored_at": 1787058644, "alerts": [], "rank": 5655}, {"candidate_id": "ODC-E4A144", "res_at": 1787915889, "skeleton": "YLVRFUAKRNYLBO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 11.601, "axes": {"activity": 6.96, "binding": 0.31, "selectivity": 0.0, "admet": 1.67, "novelty": 1.65, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.017, "fraction": 0.232}, "binding": {"pIC50": 4.43, "LE": 0.19, "potency_term": 0.024, "efficiency_cap": 0.633}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.481, "per_endpoint": {"solubility-aqsoldb": 0.577, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 0.751, "pgp-broccatelli": 0.934, "cyp2c9-veith": 0.832, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.532, "herg": 0.05, "dili": 0.586}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 5.0173990398846815, "aff_pf": 1.5652332305908203, "aff_hs": 0.5785429775714874, "repeats_pf": {"runs": 3, "values": [1.819, 1.4065, 1.4702], "mean": 1.5652, "spread": 0.4124}, "repeats_hs": {"runs": 3, "values": [0.7915, 0.4682, 0.4759], "mean": 0.5785, "spread": 0.3233}, "at": 1787915889}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898896, "scored_at": 1787915889, "alerts": [], "rank": 5656}, {"candidate_id": "ODC-88DECA", "res_at": 1787926825, "skeleton": "BSVVLWVBLNIROK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COCCn1c··········2c1=O", "total": 11.594, "axes": {"activity": 3.55, "binding": 3.69, "selectivity": 1.03, "admet": 1.6, "novelty": 1.07, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.813, "fraction": 0.118}, "binding": {"pIC50": 5.66, "LE": 0.25, "potency_term": 0.221, "efficiency_cap": 0.834}, "selectivity": {"fold": 2.9, "selectivity_term": 0.232, "target_engagement": 0.221}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.634, "caco2-wang": 0.759, "hia-hou": 0.975, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.952, "cyp2c9-veith": 0.341, "cyp3a4-substrate-carbonmangels": 0.51, "ld50-zhu": 0.95, "herg": 0.05, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "0", "pAct_q10": 4.813056247792487, "aff_pf": 0.33663978179295856, "aff_hs": 0.8003004193305969, "repeats_pf": {"runs": 3, "values": [0.33, 0.4288, 0.2511], "mean": 0.3366, "spread": 0.1777}, "repeats_hs": {"runs": 3, "values": [0.8279, 0.7754, 0.7976], "mean": 0.8003, "spread": 0.0525}, "at": 1787926825}, "tier": 1, "relegate_reason": [], "submitted_at": 1787899250, "scored_at": 1787926825, "alerts": [], "rank": 5657}, {"candidate_id": "ODC-E3B21E", "res_at": 1789331865, "skeleton": "NGTFMOFGZRXGQE", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-11_MorphMe2", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········1F)N3", "total": 11.584, "axes": {"activity": 7.27, "binding": 0.76, "selectivity": 0.0, "admet": 1.49, "novelty": 1.68, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 5.036, "fraction": 0.242}, "binding": {"pIC50": 4.69, "LE": 0.247, "potency_term": 0.046, "efficiency_cap": 0.823}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.502, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 4.87}}, "run": {"gpu": "0", "pAct_q10": 5.035962257449418, "aff_pf": 1.311746597290039, "aff_hs": 1.1891313791275024, "repeats_pf": {"runs": 3, "values": [1.2976, 1.2953, 1.3423], "mean": 1.3117, "spread": 0.047}, "repeats_hs": {"runs": 3, "values": [1.3084, 1.2941, 0.9649], "mean": 1.1891, "spread": 0.3435}, "at": 1789331865}, "tier": 1, "alerts": [], "total_sd": 0.025, "total_ci95": [11.523, 11.616], "relegate_reason": [], "submitted_at": 1789322832, "scored_at": 1789331865, "rank": 5658}, {"candidate_id": "ODC-81AE99", "res_at": 1786859913, "skeleton": "SIQBIHJQRNEMAC", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········(F)c1", "total": 11.582, "axes": {"activity": 6.97, "binding": 0.57, "selectivity": 0.08, "admet": 1.62, "novelty": 1.32, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 5.018, "fraction": 0.232}, "binding": {"pIC50": 5.09, "LE": 0.303, "potency_term": 0.029, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.148, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.345, "caco2-wang": 0.78, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.114, "cyp3a4-substrate-carbonmangels": 0.292, "ld50-zhu": 0.371, "herg": 0.606, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "2", "pAct_q10": 5.018113719061859, "aff_pf": 0.914293130238851, "aff_hs": 1.2096484899520874, "repeats_pf": {"runs": 3, "values": [0.8664, 0.9308, 0.9456], "mean": 0.9143, "spread": 0.0792}, "repeats_hs": {"runs": 3, "values": [1.1903, 1.3083, 1.1304], "mean": 1.2096, "spread": 0.1779}, "at": 1786859913}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849025, "scored_at": 1786859913, "alerts": [], "rank": 5659}, {"candidate_id": "ODC-BF23AD", "res_at": 1788226834, "skeleton": "MANQRNRGFVUQQS", "hf_user": "silversongq", "display_name": "silversongq", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········cnn12", "total": 11.559, "axes": {"activity": 5.49, "binding": 3.09, "selectivity": 0.0, "admet": 0.88, "novelty": 1.23, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.93, "fraction": 0.183}, "binding": {"pIC50": 5.5, "LE": 0.279, "potency_term": 0.166, "efficiency_cap": 0.93}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.696, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "0", "pAct_q10": 4.929669385698236, "aff_pf": 0.5015591382980347, "aff_hs": -0.005409573515256246, "repeats_pf": {"runs": 3, "values": [0.3479, 0.6097, 0.5471], "mean": 0.5016, "spread": 0.2619}, "repeats_hs": {"runs": 3, "values": [0.1287, -0.0401, -0.1048], "mean": -0.0054, "spread": 0.2335}, "at": 1788226834}, "tier": 1, "alerts": [], "total_sd": 0.531, "total_ci95": [10.841, 13.025], "relegate_reason": [], "submitted_at": 1788225601, "scored_at": 1788226834, "rank": 5660}, {"candidate_id": "ODC-883DA8", "res_at": 1787385602, "skeleton": "QMFSBWPNAKLTLL", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5 M9-4", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 11.507, "axes": {"activity": 6.62, "binding": 0.54, "selectivity": 0.0, "admet": 1.91, "novelty": 1.34, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 4.997, "fraction": 0.221}, "binding": {"pIC50": 4.54, "LE": 0.259, "potency_term": 0.031, "efficiency_cap": 0.863}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.984, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.535, "cyp3a4-substrate-carbonmangels": 0.486, "ld50-zhu": 0.319, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.04}}, "run": {"gpu": "3", "pAct_q10": 4.9970514024227395, "aff_pf": 1.4633114337921143, "aff_hs": 1.3850948413213093, "repeats_pf": {"runs": 3, "values": [1.4458, 1.4387, 1.5054], "mean": 1.4633, "spread": 0.0667}, "repeats_hs": {"runs": 3, "values": [1.5085, 1.2086, 1.4382], "mean": 1.3851, "spread": 0.2999}, "at": 1787385602}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383328, "scored_at": 1787385602, "alerts": [], "rank": 5661}, {"candidate_id": "ODC-33DDD9", "res_at": 1788803596, "skeleton": "DNEPLIODWUEYGH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········nc2n1", "total": 11.466, "axes": {"activity": 6.83, "binding": 0.99, "selectivity": 0.0, "admet": 1.27, "novelty": 1.27, "synthesis": 1.11}, "detail": {"activity": {"pAct_q10": 5.01, "fraction": 0.228}, "binding": {"pIC50": 5.17, "LE": 0.262, "potency_term": 0.056, "efficiency_cap": 0.874}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.056}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.326, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.484, "herg": 0.05, "dili": 0.176}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 5.009620765936009, "aff_pf": 0.8307747840881348, "aff_hs": 0.44436246156692505, "repeats_pf": {"runs": 3, "values": [0.8823, 0.9741, 0.636], "mean": 0.8308, "spread": 0.338}, "repeats_hs": {"runs": 3, "values": [0.5131, 0.3688, 0.4512], "mean": 0.4444, "spread": 0.1442}, "at": 1788803596}, "tier": 1, "alerts": [], "total_sd": 0.447, "total_ci95": [10.802, 12.159], "relegate_reason": [], "submitted_at": 1788735113, "scored_at": 1788803596, "rank": 5662}, {"candidate_id": "ODC-54B006", "res_at": 1786868344, "skeleton": "YMTXHNMOIUJRLE", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cnc··········)cc1F", "total": 11.462, "axes": {"activity": 5.34, "binding": 2.86, "selectivity": 0.0, "admet": 1.43, "novelty": 1.32, "synthesis": 0.51}, "detail": {"activity": {"pAct_q10": 4.92, "fraction": 0.178}, "binding": {"pIC50": 5.46, "LE": 0.277, "potency_term": 0.155, "efficiency_cap": 0.924}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.155}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 0.805, "pgp-broccatelli": 0.937, "cyp2c9-veith": 0.619, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.838, "herg": 0.083, "dili": 0.678}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "2", "pAct_q10": 4.9202410523461495, "aff_pf": 0.5354345540205637, "aff_hs": 0.38402658700942993, "repeats_pf": {"runs": 3, "values": [0.4192, 0.6315, 0.5556], "mean": 0.5354, "spread": 0.2123}, "repeats_hs": {"runs": 3, "values": [0.2889, 0.41, 0.4532], "mean": 0.384, "spread": 0.1644}, "at": 1786868344}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859431, "scored_at": 1786868344, "alerts": [], "rank": 5663}, {"candidate_id": "ODC-8A87E7", "res_at": 1787073525, "skeleton": "SEUDHQGAUIXOFU", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 11.435, "axes": {"activity": 6.52, "binding": 1.14, "selectivity": 0.04, "admet": 1.22, "novelty": 1.48, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 4.991, "fraction": 0.217}, "binding": {"pIC50": 5.17, "LE": 0.295, "potency_term": 0.058, "efficiency_cap": 0.984}, "selectivity": {"fold": 1.2, "selectivity_term": 0.033, "target_engagement": 0.058}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.729, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.73, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.316, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 4.990969581373449, "aff_pf": 0.8260994156201681, "aff_hs": 0.8920411864916483, "repeats_pf": {"runs": 3, "values": [0.765, 0.75, 0.9632], "mean": 0.8261, "spread": 0.2132}, "repeats_hs": {"runs": 3, "values": [0.9866, 0.7748, 0.9146], "mean": 0.892, "spread": 0.2118}, "at": 1787073525}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066086, "scored_at": 1787073525, "alerts": [], "rank": 5664}, {"candidate_id": "ODC-A0FF35", "res_at": 1788334398, "skeleton": "OWZSGGODHUFKFW", "hf_user": "Bio-JS", "display_name": "0902-페닐벤즈아마이드 아자", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········Cl)c1", "total": 11.417, "axes": {"activity": 0.18, "binding": 5.12, "selectivity": 1.47, "admet": 1.78, "novelty": 1.59, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.611, "fraction": 0.006}, "binding": {"pIC50": 5.77, "LE": 0.395, "potency_term": 0.256, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.256}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.961, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.25, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.393, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "3", "pAct_q10": 4.610750629818925, "aff_pf": 0.23216340442498526, "aff_hs": 0.8051047921180725, "repeats_pf": {"runs": 3, "values": [0.2128, 0.2159, 0.2678], "mean": 0.2322, "spread": 0.055}, "repeats_hs": {"runs": 3, "values": [0.7763, 0.8312, 0.8078], "mean": 0.8051, "spread": 0.0549}, "at": 1788334398}, "tier": 1, "alerts": [], "total_sd": 0.259, "total_ci95": [10.828, 11.782], "relegate_reason": [], "submitted_at": 1788327442, "scored_at": 1788334398, "rank": 5665}, {"candidate_id": "ODC-2AA5C3", "res_at": 1788857674, "skeleton": "ABMGCAPSLDCTAJ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-16", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········sc2n1", "total": 11.416, "axes": {"activity": 6.63, "binding": 0.34, "selectivity": 0.0, "admet": 1.93, "novelty": 1.44, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.998, "fraction": 0.221}, "binding": {"pIC50": 5.05, "LE": 0.329, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.017}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.99, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 0.706, "ld50-zhu": 0.527, "herg": 0.83, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 4.997734627206777, "aff_pf": 0.9496153990427653, "aff_hs": 0.3786966602007548, "repeats_pf": {"runs": 3, "values": [0.9055, 0.9299, 1.0135], "mean": 0.9496, "spread": 0.1079}, "repeats_hs": {"runs": 3, "values": [0.4033, 0.3434, 0.3894], "mean": 0.3787, "spread": 0.0599}, "at": 1788857674}, "tier": 1, "alerts": [], "total_sd": 0.361, "total_ci95": [11.175, 13.013], "relegate_reason": [], "submitted_at": 1788856439, "scored_at": 1788857674, "rank": 5666}, {"candidate_id": "ODC-40ABC7", "res_at": 1789338331, "skeleton": "AIPUTSGZEIDYLM", "hf_user": "trblnfxn", "display_name": "NOVEL-PyrazoloPyridine", "model_name": "Hermes-Novel-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cn2n1", "total": 11.413, "axes": {"activity": 2.51, "binding": 4.27, "selectivity": 0.47, "admet": 1.72, "novelty": 1.41, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.528, "fraction": 0.084}, "binding": {"pIC50": 5.64, "LE": 0.322, "potency_term": 0.213, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.109, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.901, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.668, "cyp3a4-substrate-carbonmangels": 0.447, "ld50-zhu": 0.488, "herg": 0.685, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 4.528056537727475, "aff_pf": 0.3600112497806549, "aff_hs": 0.5788465440273285, "repeats_pf": {"runs": 3, "values": [0.3134, 0.4745, 0.2922], "mean": 0.36, "spread": 0.1823}, "repeats_hs": {"runs": 3, "values": [0.8109, 0.421, 0.5047], "mean": 0.5788, "spread": 0.3899}, "at": 1789338331}, "tier": 1, "alerts": [], "total_sd": 0.742, "total_ci95": [10.199, 12.757], "relegate_reason": [], "submitted_at": 1789328221, "scored_at": 1789338331, "rank": 5667}, {"candidate_id": "ODC-BA6A43", "res_at": 1787120658, "skeleton": "UHIATEXSPJZNRA", "hf_user": "Ku-ku", "display_name": "NCA20260819_005", "model_name": "novel-core/amide-coupling/maxmin", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c2cc··········ccc21", "total": 11.409, "axes": {"activity": 6.84, "binding": 1.14, "selectivity": 0.11, "admet": 0.89, "novelty": 1.29, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.01, "fraction": 0.228}, "binding": {"pIC50": 5.18, "LE": 0.284, "potency_term": 0.06, "efficiency_cap": 0.946}, "selectivity": {"fold": 1.5, "selectivity_term": 0.094, "target_engagement": 0.06}, "admet": {"geometric_mean": 0.259, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.655, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.234, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 1.85}}, "run": {"gpu": "3", "pAct_q10": 5.010253367882122, "aff_pf": 0.8191165526707967, "aff_hs": 1.0062694946924846, "repeats_pf": {"runs": 3, "values": [0.8151, 0.7876, 0.8547], "mean": 0.8191, "spread": 0.0671}, "repeats_hs": {"runs": 3, "values": [0.9972, 1.0587, 0.9629], "mean": 1.0063, "spread": 0.0957}, "at": 1787120658}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102439, "scored_at": 1787120658, "alerts": [], "rank": 5668}, {"candidate_id": "ODC-A5695C", "res_at": 1786981582, "skeleton": "DAKVKFJRZICSPE", "hf_user": "polarbearsong", "display_name": "ODC-R1-02-quinoxaline", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········2)cc1", "total": 11.377, "axes": {"activity": 6.2, "binding": 0.86, "selectivity": 0.11, "admet": 1.76, "novelty": 1.41, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 4.972, "fraction": 0.207}, "binding": {"pIC50": 5.13, "LE": 0.293, "potency_term": 0.044, "efficiency_cap": 0.977}, "selectivity": {"fold": 1.8, "selectivity_term": 0.13, "target_engagement": 0.044}, "admet": {"geometric_mean": 0.569, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.916, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.945, "cyp3a4-substrate-carbonmangels": 0.553, "ld50-zhu": 0.354, "herg": 0.912, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "2", "pAct_q10": 4.971879365501374, "aff_pf": 0.8676118652025858, "aff_hs": 1.1280800501505535, "repeats_pf": {"runs": 3, "values": [0.6983, 0.9733, 0.9312], "mean": 0.8676, "spread": 0.275}, "repeats_hs": {"runs": 3, "values": [1.072, 1.1623, 1.15], "mean": 1.1281, "spread": 0.0902}, "at": 1786981582}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979177, "scored_at": 1786981582, "alerts": [], "rank": 5669}, {"candidate_id": "ODC-B96A18", "res_at": 1787075347, "skeleton": "PMNMSFUOWNFXDC", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)cc1", "total": 11.371, "axes": {"activity": 6.06, "binding": 1.11, "selectivity": 0.0, "admet": 1.98, "novelty": 1.36, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.964, "fraction": 0.202}, "binding": {"pIC50": 4.82, "LE": 0.264, "potency_term": 0.063, "efficiency_cap": 0.88}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.652, "per_endpoint": {"solubility-aqsoldb": 0.72, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.969, "cyp3a4-substrate-carbonmangels": 0.618, "ld50-zhu": 0.439, "herg": 0.05, "dili": 0.966}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 4.963823456664199, "aff_pf": 1.1841154893239338, "aff_hs": 1.5942407846450806, "repeats_pf": {"runs": 3, "values": [1.2686, 1.1514, 1.1323], "mean": 1.1841, "spread": 0.1363}, "repeats_hs": {"runs": 3, "values": [1.5183, 1.6172, 1.6472], "mean": 1.5942, "spread": 0.1289}, "at": 1787075347}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066199, "scored_at": 1787075347, "alerts": [], "rank": 5670}, {"candidate_id": "ODC-3B2A7E", "res_at": 1788072447, "skeleton": "ILRDCTSZYHYHCE", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········=O)=O", "total": 11.366, "axes": {"activity": 4.43, "binding": 3.32, "selectivity": 0.52, "admet": 1.21, "novelty": 1.05, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.866, "fraction": 0.148}, "binding": {"pIC50": 5.5, "LE": 0.314, "potency_term": 0.166, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.156, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.91, "ld50-zhu": 0.229, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "3", "pAct_q10": 4.865791085218026, "aff_pf": 0.5018581449985504, "aff_hs": 0.8143683075904846, "repeats_pf": {"runs": 3, "values": [0.6409, 0.414, 0.4507], "mean": 0.5019, "spread": 0.2269}, "repeats_hs": {"runs": 3, "values": [0.7448, 0.8664, 0.8319], "mean": 0.8144, "spread": 0.1215}, "at": 1788072447}, "tier": 1, "alerts": [], "total_sd": 0.847, "total_ci95": [9.819, 12.76], "relegate_reason": [], "submitted_at": 1788028840, "scored_at": 1788072447, "rank": 5671}, {"candidate_id": "ODC-3A3D39", "res_at": 1789122500, "skeleton": "FFKUEJOFEBDQAH", "hf_user": "Bio-JS", "display_name": "0911-S1-x_COC_c", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 11.331, "axes": {"activity": 5.3, "binding": 3.15, "selectivity": 0.0, "admet": 1.3, "novelty": 0.8, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.918, "fraction": 0.177}, "binding": {"pIC50": 5.47, "LE": 0.312, "potency_term": 0.158, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.866, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.371, "herg": 0.481, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.55, "novelty": 0.45}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 4.918160678064071, "aff_pf": 0.5269718368848165, "aff_hs": 0.4135067065556844, "repeats_pf": {"runs": 3, "values": [0.4913, 0.5213, 0.5683], "mean": 0.527, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [0.3922, 0.4317, 0.4166], "mean": 0.4135, "spread": 0.0395}, "at": 1789122500}, "tier": 1, "alerts": [], "total_sd": 0.122, "total_ci95": [11.056, 11.569], "relegate_reason": [], "submitted_at": 1789117091, "scored_at": 1789122500, "rank": 5672}, {"candidate_id": "ODC-593380", "res_at": 1787032059, "skeleton": "XLBYHWVAEHONGL", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········C2)c1", "total": 11.329, "axes": {"activity": 3.2, "binding": 4.2, "selectivity": 0.11, "admet": 1.45, "novelty": 1.31, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.792, "fraction": 0.107}, "binding": {"pIC50": 5.63, "LE": 0.351, "potency_term": 0.21, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.026, "target_engagement": 0.21}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.106, "caco2-wang": 0.936, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.489, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.56, "herg": 0.611, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "3", "pAct_q10": 4.792066882864377, "aff_pf": 0.3696631093819936, "aff_hs": 0.4207339584827423, "repeats_pf": {"runs": 3, "values": [0.4081, 0.4075, 0.2934], "mean": 0.3697, "spread": 0.1148}, "repeats_hs": {"runs": 3, "values": [0.3487, 0.5619, 0.3515], "mean": 0.4207, "spread": 0.2132}, "at": 1787032059}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030756, "scored_at": 1787032059, "alerts": [], "rank": 5673}, {"candidate_id": "ODC-20E736", "res_at": 1788081345, "skeleton": "BSAJQMDYCBEBSQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)F)n1", "total": 11.316, "axes": {"activity": 5.97, "binding": 1.64, "selectivity": 0.0, "admet": 1.74, "novelty": 1.16, "synthesis": 0.81}, "detail": {"activity": {"pAct_q10": 4.958, "fraction": 0.199}, "binding": {"pIC50": 4.97, "LE": 0.262, "potency_term": 0.094, "efficiency_cap": 0.874}, "selectivity": {"fold": 1.4, "selectivity_term": 0.067, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.584, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.737, "cyp3a4-substrate-carbonmangels": 0.478, "ld50-zhu": 0.797, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 4.9579305257683846, "aff_pf": 1.0263675451278687, "aff_hs": 1.1604148149490356, "repeats_pf": {"runs": 3, "values": [1.0334, 0.9555, 1.0902], "mean": 1.0264, "spread": 0.1347}, "repeats_hs": {"runs": 3, "values": [1.3628, 1.082, 1.0364], "mean": 1.1604, "spread": 0.3264}, "at": 1788081345}, "tier": 1, "alerts": [], "total_sd": 0.509, "total_ci95": [9.793, 11.435], "relegate_reason": [], "submitted_at": 1788058711, "scored_at": 1788081345, "rank": 5674}, {"candidate_id": "ODC-B00AF5", "res_at": 1789493533, "skeleton": "QPQJQNVDKAQRQS", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)c1F", "total": 11.313, "axes": {"activity": 1.94, "binding": 4.99, "selectivity": 0.0, "admet": 1.3, "novelty": 1.84, "synthesis": 1.24}, "detail": {"activity": {"pAct_q10": 4.717, "fraction": 0.065}, "binding": {"pIC50": 5.82, "LE": 0.275, "potency_term": 0.273, "efficiency_cap": 0.916}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.273}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.531, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 4.716505870160305, "aff_pf": 0.1823061853647232, "aff_hs": 0.0021477937698364258, "repeats_pf": {"runs": 3, "values": [0.3249, 0.0495, 0.1726], "mean": 0.1823, "spread": 0.2754}, "repeats_hs": {"runs": 3, "values": [0.1429, 0.038, -0.1745], "mean": 0.0021, "spread": 0.3173}, "at": 1789493533}, "tier": 1, "alerts": [], "total_sd": 0.819, "total_ci95": [10.129, 13.083], "relegate_reason": [], "submitted_at": 1789490747, "scored_at": 1789493533, "rank": 5675}, {"candidate_id": "ODC-FC068F", "res_at": 1789919764, "skeleton": "UMBVSUSGOFKVQS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········3)CC1", "total": 11.274, "axes": {"activity": 7.08, "binding": 0.77, "selectivity": 0.0, "admet": 0.99, "novelty": 1.24, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.025, "fraction": 0.236}, "binding": {"pIC50": 4.81, "LE": 0.188, "potency_term": 0.062, "efficiency_cap": 0.627}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.51, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 5.025004634435464, "aff_pf": 1.193343997001648, "aff_hs": 0.5568261841932932, "repeats_pf": {"runs": 3, "values": [1.1354, 1.3756, 1.069], "mean": 1.1933, "spread": 0.3066}, "repeats_hs": {"runs": 3, "values": [0.4757, 0.7363, 0.4585], "mean": 0.5568, "spread": 0.2778}, "at": 1789919764}, "tier": 1, "alerts": [], "total_sd": 0.147, "total_ci95": [11.087, 11.583], "relegate_reason": [], "submitted_at": 1789907316, "scored_at": 1789919764, "rank": 5676}, {"candidate_id": "ODC-9EC939", "res_at": 1787271676, "skeleton": "BFZNIMQXZOGUCG", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "N#Cc1cc(-c2ccc(S(=O)(=O)NC3COC3)cc2)ccc1F", "smiles_masked": null, "total": 11.266, "axes": {"activity": 4.25, "binding": 3.01, "selectivity": 0.89, "admet": 1.33, "novelty": 1.03, "synthesis": 0.75}, "detail": {"activity": {"pAct_q10": 4.855, "fraction": 0.142}, "binding": {"pIC50": 5.45, "LE": 0.325, "potency_term": 0.151, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.295, "target_engagement": 0.151}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.428, "caco2-wang": 0.995, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.587, "ld50-zhu": 0.53, "herg": 0.345, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.85507717615093, "aff_pf": 0.5483225584030151, "aff_hs": 1.1391885081926982, "repeats_pf": {"runs": 3, "values": [0.3626, 0.7152, 0.5672], "mean": 0.5483, "spread": 0.3526}, "repeats_hs": {"runs": 3, "values": [1.2499, 0.8229, 1.3448], "mean": 1.1392, "spread": 0.5219}, "at": 1787271676}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269850, "scored_at": 1787271676, "alerts": [], "rank": 5677}, {"candidate_id": "ODC-430459", "res_at": 1786871629, "skeleton": "HTWKBMDLBDHYKL", "hf_user": "DOATC", "display_name": "SOL_RETAKE_02", "model_name": "OpenAI gPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········nc1Br", "total": 11.26, "axes": {"activity": 3.22, "binding": 4.69, "selectivity": 0.0, "admet": 1.36, "novelty": 0.96, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 4.793, "fraction": 0.107}, "binding": {"pIC50": 5.7, "LE": 0.34, "potency_term": 0.234, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.234}, "admet": {"geometric_mean": 0.388, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.593, "cyp2c9-veith": 0.407, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.462, "herg": 0.073, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 4.7930001258804165, "aff_pf": 0.2966180642445882, "aff_hs": -0.026942595839500427, "repeats_pf": {"runs": 3, "values": [0.3451, 0.3288, 0.216], "mean": 0.2966, "spread": 0.1291}, "repeats_hs": {"runs": 3, "values": [-0.0585, -0.1489, 0.1266], "mean": -0.0269, "spread": 0.2755}, "at": 1786871629}, "tier": 1, "relegate_reason": [], "submitted_at": 1786865927, "scored_at": 1786871629, "alerts": [], "rank": 5678}, {"candidate_id": "ODC-574D03", "res_at": 1789549143, "skeleton": "KWUCKLXXDSPWEU", "hf_user": "Bio-JS", "display_name": "0916-S1-div12", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 11.252, "axes": {"activity": 6.42, "binding": 0.65, "selectivity": 0.0, "admet": 1.97, "novelty": 1.2, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 4.55, "LE": 0.312, "potency_term": 0.033, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.553, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.848, "ld50-zhu": 0.346, "herg": 0.78, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 4.985245084437672, "aff_pf": 1.4473819732666016, "aff_hs": 1.3802069425582886, "repeats_pf": {"runs": 3, "values": [1.4624, 1.4371, 1.4427], "mean": 1.4474, "spread": 0.0253}, "repeats_hs": {"runs": 3, "values": [1.3086, 1.3044, 1.5276], "mean": 1.3802, "spread": 0.2232}, "at": 1789549143}, "tier": 1, "alerts": [], "total_sd": 0.009, "total_ci95": [11.238, 11.269], "relegate_reason": [], "submitted_at": 1789526804, "scored_at": 1789549143, "rank": 5679}, {"candidate_id": "ODC-F2A90B", "res_at": 1787329564, "skeleton": "ZGLWTJSWDZXUBU", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········2)cc1", "total": 11.228, "axes": {"activity": 4.92, "binding": 2.51, "selectivity": 0.86, "admet": 1.17, "novelty": 0.94, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.895, "fraction": 0.164}, "binding": {"pIC50": 5.38, "LE": 0.295, "potency_term": 0.128, "efficiency_cap": 0.983}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.128}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.373, "cyp2c9-veith": 0.676, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.531, "herg": 0.201, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 4.895259047795101, "aff_pf": 0.6167208949724833, "aff_hs": 1.289319396018982, "repeats_pf": {"runs": 3, "values": [0.6214, 0.5705, 0.6582], "mean": 0.6167, "spread": 0.0877}, "repeats_hs": {"runs": 3, "values": [1.1814, 1.3323, 1.3543], "mean": 1.2893, "spread": 0.1728}, "at": 1787329564}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328838, "scored_at": 1787329564, "alerts": [], "rank": 5680}, {"candidate_id": "ODC-7AB82E", "res_at": 1787021494, "skeleton": "AVRJWTWILVPTBE", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········cc1Br", "total": 11.227, "axes": {"activity": 5.81, "binding": 1.48, "selectivity": 0.0, "admet": 1.73, "novelty": 1.28, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.949, "fraction": 0.194}, "binding": {"pIC50": 5.22, "LE": 0.341, "potency_term": 0.074, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.074}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.254, "cyp3a4-substrate-carbonmangels": 0.838, "ld50-zhu": 0.474, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "2", "pAct_q10": 4.948798001313122, "aff_pf": 0.7786270380020142, "aff_hs": 0.6357871294021606, "repeats_pf": {"runs": 3, "values": [0.6291, 0.7415, 0.9653], "mean": 0.7786, "spread": 0.3362}, "repeats_hs": {"runs": 3, "values": [0.6888, 0.6746, 0.544], "mean": 0.6358, "spread": 0.1447}, "at": 1787021494}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021303, "scored_at": 1787021494, "alerts": [], "rank": 5681}, {"candidate_id": "ODC-743F6E", "res_at": 1787215576, "skeleton": "OJWVCCUIHBFWLY", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cn2··········cc2n1", "total": 11.22, "axes": {"activity": 6.17, "binding": 0.97, "selectivity": 0.1, "admet": 1.57, "novelty": 1.52, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 4.97, "fraction": 0.206}, "binding": {"pIC50": 5.16, "LE": 0.272, "potency_term": 0.053, "efficiency_cap": 0.906}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.053}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.922, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.593, "cyp2c9-veith": 0.859, "cyp3a4-substrate-carbonmangels": 0.974, "ld50-zhu": 0.551, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.970104636317988, "aff_pf": 0.8399480581283569, "aff_hs": 1.0258779525756836, "repeats_pf": {"runs": 3, "values": [0.8401, 0.7317, 0.948], "mean": 0.8399, "spread": 0.2163}, "repeats_hs": {"runs": 3, "values": [1.0221, 1.0411, 1.0144], "mean": 1.0259, "spread": 0.0267}, "at": 1787215576}, "tier": 1, "relegate_reason": [], "submitted_at": 1787214424, "scored_at": 1787215576, "alerts": [], "rank": 5682}, {"candidate_id": "ODC-B13551", "res_at": 1787648136, "skeleton": "KRCGREKJHBQMKN", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········3)n12", "total": 11.218, "axes": {"activity": 6.43, "binding": 1.35, "selectivity": 0.0, "admet": 1.07, "novelty": 1.43, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.986, "fraction": 0.214}, "binding": {"pIC50": 4.92, "LE": 0.25, "potency_term": 0.081, "efficiency_cap": 0.832}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.487, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.06, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.571, "herg": 0.271, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.98579136365906, "aff_pf": 1.0827621221542358, "aff_hs": 1.2543108860651653, "repeats_pf": {"runs": 3, "values": [0.861, 1.2414, 1.1459], "mean": 1.0828, "spread": 0.3805}, "repeats_hs": {"runs": 3, "values": [1.3941, 1.1052, 1.2636], "mean": 1.2543, "spread": 0.2889}, "at": 1787648136}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641437, "scored_at": 1787648136, "alerts": [], "rank": 5683}, {"candidate_id": "ODC-AF0C5A", "res_at": 1789406335, "skeleton": "APZGKOIPAMIKMX", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)c1··········nc2n1", "total": 11.206, "axes": {"activity": 6.6, "binding": 1.26, "selectivity": 0.08, "admet": 1.4, "novelty": 1.24, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.996, "fraction": 0.22}, "binding": {"pIC50": 5.25, "LE": 0.232, "potency_term": 0.082, "efficiency_cap": 0.773}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.426, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.288, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 0.413, "ld50-zhu": 0.918, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 4.02}}, "run": {"gpu": "0", "pAct_q10": 4.995958732574676, "aff_pf": 0.7545133630434672, "aff_hs": 0.8491270144780477, "repeats_pf": {"runs": 3, "values": [0.7125, 0.7718, 0.7793], "mean": 0.7545, "spread": 0.0668}, "repeats_hs": {"runs": 3, "values": [0.9773, 0.7747, 0.7954], "mean": 0.8491, "spread": 0.2026}, "at": 1789406335}, "tier": 1, "alerts": [], "total_sd": 0.119, "total_ci95": [11.018, 11.488], "relegate_reason": [], "submitted_at": 1789403651, "scored_at": 1789406335, "rank": 5684}, {"candidate_id": "ODC-B4AC2E", "res_at": 1788501636, "skeleton": "NKHAVOUJYDCYSD", "hf_user": "dlghkdueo", "display_name": "R6-C3", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 11.203, "axes": {"activity": 2.61, "binding": 4.03, "selectivity": 0.78, "admet": 1.54, "novelty": 1.24, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.757, "fraction": 0.087}, "binding": {"pIC50": 5.6, "LE": 0.384, "potency_term": 0.201, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.201}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.565, "ld50-zhu": 0.331, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "0", "pAct_q10": 4.7566977606566105, "aff_pf": 0.3960893352826436, "aff_hs": 0.7832011779149374, "repeats_pf": {"runs": 3, "values": [0.1517, 0.435, 0.6016], "mean": 0.3961, "spread": 0.45}, "repeats_hs": {"runs": 3, "values": [0.7615, 0.912, 0.6761], "mean": 0.7832, "spread": 0.2359}, "at": 1788501636}, "tier": 1, "alerts": [], "total_sd": 1.839, "total_ci95": [8.073, 15.371], "relegate_reason": [], "submitted_at": 1788447860, "scored_at": 1788501636, "rank": 5685}, {"candidate_id": "ODC-8F4181", "res_at": 1788266445, "skeleton": "HWGILMXOQLMVAL", "hf_user": "silversongq", "display_name": "silversongq", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········cnc12", "total": 11.176, "axes": {"activity": 1.82, "binding": 3.86, "selectivity": 1.98, "admet": 1.37, "novelty": 1.21, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.709, "fraction": 0.061}, "binding": {"pIC50": 5.58, "LE": 0.306, "potency_term": 0.193, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.6, "selectivity_term": 0.513, "target_engagement": 0.193}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.938, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.291, "cyp3a4-substrate-carbonmangels": 0.087, "ld50-zhu": 0.297, "herg": 0.896, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 4.709378208419344, "aff_pf": 0.42054398854573566, "aff_hs": 1.4461256663004558, "repeats_pf": {"runs": 3, "values": [0.2422, 0.6197, 0.3997], "mean": 0.4205, "spread": 0.3775}, "repeats_hs": {"runs": 3, "values": [1.4487, 1.4477, 1.4419], "mean": 1.4461, "spread": 0.0068}, "at": 1788266445}, "tier": 1, "alerts": [], "total_sd": 1.567, "total_ci95": [8.929, 14.504], "relegate_reason": [], "submitted_at": 1788225579, "scored_at": 1788266445, "rank": 5686}, {"candidate_id": "ODC-4E6054", "res_at": 1786868153, "skeleton": "RVQILLFJEAZGHV", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1c2c··········C1CC1", "total": 11.165, "axes": {"activity": 5.03, "binding": 2.65, "selectivity": 0.24, "admet": 1.49, "novelty": 1.2, "synthesis": 0.57}, "detail": {"activity": {"pAct_q10": 4.902, "fraction": 0.168}, "binding": {"pIC50": 5.4, "LE": 0.296, "potency_term": 0.134, "efficiency_cap": 0.987}, "selectivity": {"fold": 1.5, "selectivity_term": 0.088, "target_engagement": 0.134}, "admet": {"geometric_mean": 0.591, "per_endpoint": {"solubility-aqsoldb": 0.626, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.947, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.839, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "2", "pAct_q10": 4.901579358317405, "aff_pf": 0.5974957346916199, "aff_hs": 0.7742171287536621, "repeats_pf": {"runs": 3, "values": [0.7521, 0.5259, 0.5146], "mean": 0.5975, "spread": 0.2375}, "repeats_hs": {"runs": 3, "values": [0.8492, 0.7275, 0.7459], "mean": 0.7742, "spread": 0.1218}, "at": 1786868153}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859423, "scored_at": 1786868153, "alerts": [], "rank": 5687}, {"candidate_id": "ODC-4480CA", "res_at": 1789934982, "skeleton": "GHKYZONPZVNJLP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········ccc12", "total": 11.147, "axes": {"activity": 6.63, "binding": 1.0, "selectivity": 0.0, "admet": 1.24, "novelty": 1.23, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 4.998, "fraction": 0.221}, "binding": {"pIC50": 4.82, "LE": 0.236, "potency_term": 0.063, "efficiency_cap": 0.786}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.374, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "0", "pAct_q10": 4.998021061266478, "aff_pf": 1.1821272174517314, "aff_hs": 1.488686203956604, "repeats_pf": {"runs": 3, "values": [0.992, 1.0184, 1.5359], "mean": 1.1821, "spread": 0.5439}, "repeats_hs": {"runs": 3, "values": [1.6184, 1.5551, 1.2926], "mean": 1.4887, "spread": 0.3259}, "at": 1789934982}, "tier": 1, "alerts": [], "total_sd": 0.41, "total_ci95": [10.207, 11.777], "relegate_reason": [], "submitted_at": 1789778768, "scored_at": 1789934982, "rank": 5688}, {"candidate_id": "ODC-12E7D2", "res_at": 1787912132, "skeleton": "IEMUHAIKLGHZBF", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 11.132, "axes": {"activity": 3.58, "binding": 3.85, "selectivity": 0.48, "admet": 1.57, "novelty": 0.99, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.815, "fraction": 0.119}, "binding": {"pIC50": 5.65, "LE": 0.267, "potency_term": 0.216, "efficiency_cap": 0.89}, "selectivity": {"fold": 1.7, "selectivity_term": 0.11, "target_engagement": 0.216}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.738, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.473, "ld50-zhu": 0.764, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "0", "pAct_q10": 4.815081799436322, "aff_pf": 0.3508058190345764, "aff_hs": 0.5707974831263224, "repeats_pf": {"runs": 3, "values": [0.3141, 0.3482, 0.3901], "mean": 0.3508, "spread": 0.076}, "repeats_hs": {"runs": 3, "values": [0.5297, 0.6286, 0.554], "mean": 0.5708, "spread": 0.0989}, "at": 1787912132}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898658, "scored_at": 1787912132, "alerts": [], "rank": 5689}, {"candidate_id": "ODC-097190", "res_at": 1787234553, "skeleton": "JSAJXDYVASHMFN", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C2)n1", "total": 11.129, "axes": {"activity": 6.27, "binding": 1.58, "selectivity": 0.0, "admet": 0.94, "novelty": 1.42, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.976, "fraction": 0.209}, "binding": {"pIC50": 5.35, "LE": 0.204, "potency_term": 0.117, "efficiency_cap": 0.679}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.117}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.067, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.126}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.975962642289477, "aff_pf": 0.6503464182217916, "aff_hs": 0.12416072686513265, "repeats_pf": {"runs": 3, "values": [0.7799, 0.5836, 0.5876], "mean": 0.6503, "spread": 0.1962}, "repeats_hs": {"runs": 3, "values": [0.2531, 0.1975, -0.0782], "mean": 0.1242, "spread": 0.3313}, "at": 1787234553}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232097, "scored_at": 1787234553, "alerts": [], "rank": 5690}, {"candidate_id": "ODC-703738", "res_at": 1788443468, "skeleton": "PMTVGRZKODONIN", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········c2)n1", "total": 11.129, "axes": {"activity": 6.41, "binding": 0.83, "selectivity": 0.0, "admet": 1.55, "novelty": 1.28, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 4.984, "fraction": 0.214}, "binding": {"pIC50": 4.71, "LE": 0.258, "potency_term": 0.048, "efficiency_cap": 0.86}, "selectivity": {"fold": 2.2, "selectivity_term": 0.167, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.726, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.796, "ld50-zhu": 0.451, "herg": 0.401, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "0", "pAct_q10": 4.9844669959405605, "aff_pf": 1.2906203667322795, "aff_hs": 1.6238021055857341, "repeats_pf": {"runs": 3, "values": [1.2472, 1.3177, 1.307], "mean": 1.2906, "spread": 0.0705}, "repeats_hs": {"runs": 3, "values": [1.613, 1.6414, 1.617], "mean": 1.6238, "spread": 0.0284}, "at": 1788443468}, "tier": 1, "alerts": [], "total_sd": 0.039, "total_ci95": [11.07, 11.233], "relegate_reason": [], "submitted_at": 1788365809, "scored_at": 1788443468, "rank": 5691}, {"candidate_id": "ODC-681526", "res_at": 1788506684, "skeleton": "AZZRVMRVTWALPS", "hf_user": "dlghkdueo", "display_name": "R6-E3", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)c1F", "total": 11.107, "axes": {"activity": 2.26, "binding": 4.06, "selectivity": 0.93, "admet": 1.54, "novelty": 1.3, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 4.735, "fraction": 0.075}, "binding": {"pIC50": 5.61, "LE": 0.366, "potency_term": 0.203, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.229, "target_engagement": 0.203}, "admet": {"geometric_mean": 0.506, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.973, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.731, "ld50-zhu": 0.289, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "0", "pAct_q10": 4.735319368749676, "aff_pf": 0.39065252741177875, "aff_hs": 0.8484138051668803, "repeats_pf": {"runs": 3, "values": [0.2848, 0.4502, 0.437], "mean": 0.3907, "spread": 0.1655}, "repeats_hs": {"runs": 3, "values": [0.9812, 0.6808, 0.8832], "mean": 0.8484, "spread": 0.3004}, "at": 1788506684}, "tier": 1, "alerts": [], "total_sd": 0.697, "total_ci95": [10.073, 12.736], "relegate_reason": [], "submitted_at": 1788448259, "scored_at": 1788506684, "rank": 5692}, {"candidate_id": "ODC-498219", "res_at": 1788496409, "skeleton": "GNVRBNLFLOZZIX", "hf_user": "dlghkdueo", "display_name": "R6-A1", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 11.082, "axes": {"activity": 6.3, "binding": 0.91, "selectivity": 0.0, "admet": 1.57, "novelty": 1.25, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.978, "fraction": 0.21}, "binding": {"pIC50": 4.71, "LE": 0.281, "potency_term": 0.049, "efficiency_cap": 0.935}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.41, "cyp3a4-substrate-carbonmangels": 0.519, "ld50-zhu": 0.541, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "0", "pAct_q10": 4.977741497546768, "aff_pf": 1.2888660828272502, "aff_hs": 0.5915091832478842, "repeats_pf": {"runs": 3, "values": [1.3182, 1.2811, 1.2673], "mean": 1.2889, "spread": 0.0509}, "repeats_hs": {"runs": 3, "values": [0.5901, 0.5559, 0.6285], "mean": 0.5915, "spread": 0.0725}, "at": 1788496409}, "tier": 1, "alerts": [], "total_sd": 0.03, "total_ci95": [11.012, 11.137], "relegate_reason": [], "submitted_at": 1788447270, "scored_at": 1788496409, "rank": 5693}, {"candidate_id": "ODC-674D3B", "res_at": 1787932875, "skeleton": "XQSXYQGBCRVFBK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)co1", "total": 11.067, "axes": {"activity": 1.16, "binding": 4.99, "selectivity": 0.22, "admet": 2.14, "novelty": 1.45, "synthesis": 1.1}, "detail": {"activity": {"pAct_q10": 4.219, "fraction": 0.039}, "binding": {"pIC50": 5.75, "LE": 0.358, "potency_term": 0.25, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.045, "target_engagement": 0.25}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.576, "caco2-wang": 0.993, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.958, "cyp3a4-substrate-carbonmangels": 0.45, "ld50-zhu": 0.26, "herg": 0.489, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 4.218905204731503, "aff_pf": 0.25075027346611023, "aff_hs": 0.3407125473022461, "repeats_pf": {"runs": 3, "values": [0.1397, 0.3136, 0.2989], "mean": 0.2508, "spread": 0.1739}, "repeats_hs": {"runs": 3, "values": [0.3164, 0.3092, 0.3965], "mean": 0.3407, "spread": 0.0873}, "at": 1787932875}, "tier": 1, "relegate_reason": [], "submitted_at": 1787907280, "scored_at": 1787932875, "alerts": [], "rank": 5694}, {"candidate_id": "ODC-9E337C", "res_at": 1788498517, "skeleton": "RHFKEUJPFRNZKR", "hf_user": "dlghkdueo", "display_name": "R6-A0", "model_name": "OpenAI Codex / gpt-5.6-sol`", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 11.051, "axes": {"activity": 5.99, "binding": 1.73, "selectivity": 0.0, "admet": 1.25, "novelty": 1.09, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 4.959, "fraction": 0.2}, "binding": {"pIC50": 4.95, "LE": 0.295, "potency_term": 0.088, "efficiency_cap": 0.982}, "selectivity": {"fold": 2.7, "selectivity_term": 0.218, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.914, "ld50-zhu": 0.491, "herg": 0.501, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.01}}, "run": {"gpu": "0", "pAct_q10": 4.959372386804709, "aff_pf": 1.0517345666885376, "aff_hs": 1.4883075555165608, "repeats_pf": {"runs": 3, "values": [0.8308, 1.1526, 1.1718], "mean": 1.0517, "spread": 0.3409}, "repeats_hs": {"runs": 3, "values": [1.5383, 1.4552, 1.4714], "mean": 1.4883, "spread": 0.0831}, "at": 1788498517}, "tier": 1, "alerts": [], "total_sd": 0.503, "total_ci95": [9.791, 11.081], "relegate_reason": [], "submitted_at": 1788447221, "scored_at": 1788498517, "rank": 5695}, {"candidate_id": "ODC-68CA27", "res_at": 1786800518, "skeleton": "DKWUYMOPCHILGF", "hf_user": "JisanKim", "display_name": "JSKim", "model_name": "GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 11.018, "axes": {"activity": 6.56, "binding": 1.1, "selectivity": 0.0, "admet": 1.69, "novelty": 0.57, "synthesis": 1.09}, "detail": {"activity": {"pAct_q10": 4.994, "fraction": 0.219}, "binding": {"pIC50": 4.76, "LE": 0.343, "potency_term": 0.055, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.545, "caco2-wang": 0.835, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.351, "herg": 0.714, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.739, "novelty": 0.261}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.993873883888968, "aff_pf": 1.2378467321395874, "aff_hs": 1.7106928825378418, "repeats_pf": {"runs": 3, "values": [1.2447, 1.269, 1.1998], "mean": 1.2378, "spread": 0.0693}, "repeats_hs": {"runs": 3, "values": [1.7067, 1.7365, 1.6889], "mean": 1.7107, "spread": 0.0477}, "at": 1786800518}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785427, "scored_at": 1786800518, "alerts": [], "rank": 5696}, {"candidate_id": "ODC-563E5A", "res_at": 1786952076, "skeleton": "UEBFCFKWPWMKGA", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCC1C··········1c2=O", "total": 11.013, "axes": {"activity": 4.76, "binding": 3.16, "selectivity": 0.38, "admet": 1.47, "novelty": 0.52, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.885, "fraction": 0.159}, "binding": {"pIC50": 5.47, "LE": 0.395, "potency_term": 0.158, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.62, "per_endpoint": {"solubility-aqsoldb": 0.384, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.737, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.254, "ld50-zhu": 0.493, "herg": 0.368, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.673, "novelty": 0.327}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.885417417944254, "aff_pf": 0.5257471601168314, "aff_hs": 0.7646747430165609, "repeats_pf": {"runs": 3, "values": [0.5111, 0.5626, 0.5036], "mean": 0.5257, "spread": 0.0591}, "repeats_hs": {"runs": 3, "values": [0.788, 0.7747, 0.7313], "mean": 0.7647, "spread": 0.0567}, "at": 1786952076}, "tier": 1, "relegate_reason": [], "submitted_at": 1786945550, "scored_at": 1786952076, "alerts": [], "rank": 5697}, {"candidate_id": "ODC-BEDF14", "res_at": 1787948904, "skeleton": "KRUCPZNJDCFGBE", "hf_user": "dlghkdueo", "display_name": "SOMANG-C4", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cnn12", "total": 11.008, "axes": {"activity": 1.39, "binding": 5.08, "selectivity": 0.2, "admet": 1.3, "novelty": 1.88, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 4.684, "fraction": 0.046}, "binding": {"pIC50": 5.76, "LE": 0.304, "potency_term": 0.254, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.254}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.816, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.647, "herg": 0.056, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "0", "pAct_q10": 4.683518873550617, "aff_pf": 0.23844807346661887, "aff_hs": 0.3175436158974965, "repeats_pf": {"runs": 3, "values": [0.2752, 0.2324, 0.2077], "mean": 0.2384, "spread": 0.0676}, "repeats_hs": {"runs": 3, "values": [0.2977, 0.3226, 0.3323], "mean": 0.3175, "spread": 0.0345}, "at": 1787948904}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936914, "scored_at": 1787948904, "alerts": [], "rank": 5698}, {"candidate_id": "ODC-4ACE6A", "res_at": 1787145880, "skeleton": "BFNOVDMYQKLSOR", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 10.992, "axes": {"activity": 2.44, "binding": 4.25, "selectivity": 0.53, "admet": 1.61, "novelty": 1.12, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.746, "fraction": 0.081}, "binding": {"pIC50": 5.64, "LE": 0.351, "potency_term": 0.213, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.62, "ld50-zhu": 0.467, "herg": 0.355, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.746127650348054, "aff_pf": 0.36188669006029767, "aff_hs": 0.6093501845995585, "repeats_pf": {"runs": 3, "values": [0.2957, 0.527, 0.263], "mean": 0.3619, "spread": 0.264}, "repeats_hs": {"runs": 3, "values": [0.502, 0.6839, 0.6422], "mean": 0.6094, "spread": 0.1818}, "at": 1787145880}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143162, "scored_at": 1787145880, "alerts": [], "rank": 5699}, {"candidate_id": "ODC-41B380", "res_at": 1786863485, "skeleton": "OXTALZPMPZWRAY", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········(F)c1", "total": 10.962, "axes": {"activity": 4.65, "binding": 2.78, "selectivity": 0.86, "admet": 1.08, "novelty": 0.97, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.879, "fraction": 0.155}, "binding": {"pIC50": 5.44, "LE": 0.286, "potency_term": 0.146, "efficiency_cap": 0.955}, "selectivity": {"fold": 3.9, "selectivity_term": 0.297, "target_engagement": 0.146}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.385, "cyp3a4-substrate-carbonmangels": 0.205, "ld50-zhu": 0.592, "herg": 0.208, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "2", "pAct_q10": 4.8792198898006385, "aff_pf": 0.5631611446539561, "aff_hs": 1.1569537321726482, "repeats_pf": {"runs": 3, "values": [0.4867, 0.593, 0.6097], "mean": 0.5632, "spread": 0.123}, "repeats_hs": {"runs": 3, "values": [1.0779, 1.168, 1.2249], "mean": 1.157, "spread": 0.147}, "at": 1786863485}, "tier": 1, "relegate_reason": [], "submitted_at": 1786855385, "scored_at": 1786863485, "alerts": [], "rank": 5700}, {"candidate_id": "ODC-4C1899", "res_at": 1789893571, "skeleton": "VXDUXNWJERTADE", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCNc1nc··········F)cc1", "total": 10.949, "axes": {"activity": 6.45, "binding": 0.34, "selectivity": 0.0, "admet": 1.82, "novelty": 1.26, "synthesis": 1.07}, "detail": {"activity": {"pAct_q10": 4.987, "fraction": 0.215}, "binding": {"pIC50": 4.32, "LE": 0.282, "potency_term": 0.018, "efficiency_cap": 0.939}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.565, "per_endpoint": {"solubility-aqsoldb": 0.375, "caco2-wang": 0.858, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.85, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.915, "ld50-zhu": 0.436, "herg": 0.433, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "2", "pAct_q10": 4.986865257005528, "aff_pf": 1.6811068852742512, "aff_hs": 1.5222745339075725, "repeats_pf": {"runs": 3, "values": [1.7071, 1.7616, 1.5746], "mean": 1.6811, "spread": 0.187}, "repeats_hs": {"runs": 3, "values": [1.44, 1.5568, 1.57], "mean": 1.5223, "spread": 0.1301}, "at": 1789893571}, "tier": 1, "alerts": [], "total_sd": 0.043, "total_ci95": [10.882, 11.065], "relegate_reason": [], "submitted_at": 1789689617, "scored_at": 1789893571, "rank": 5701}, {"candidate_id": "ODC-AD3A90", "res_at": 1789123080, "skeleton": "TWJPQCSACCSLMN", "hf_user": "Bio-JS", "display_name": "0911-S1-x_N_b", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 10.939, "axes": {"activity": 5.98, "binding": 0.93, "selectivity": 0.0, "admet": 1.85, "novelty": 1.3, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.959, "fraction": 0.199}, "binding": {"pIC50": 4.7, "LE": 0.293, "potency_term": 0.048, "efficiency_cap": 0.976}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.62, "per_endpoint": {"solubility-aqsoldb": 0.528, "caco2-wang": 0.686, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.8, "ld50-zhu": 0.382, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 4.958808063306407, "aff_pf": 1.2961975733439128, "aff_hs": 0.7398651242256165, "repeats_pf": {"runs": 3, "values": [1.3169, 1.2843, 1.2874], "mean": 1.2962, "spread": 0.0325}, "repeats_hs": {"runs": 3, "values": [0.7547, 0.709, 0.7558], "mean": 0.7399, "spread": 0.0468}, "at": 1789123080}, "tier": 1, "alerts": [], "total_sd": 0.019, "total_ci95": [10.912, 10.97], "relegate_reason": [], "submitted_at": 1789117104, "scored_at": 1789123080, "rank": 5702}, {"candidate_id": "ODC-E9F351", "res_at": 1788817045, "skeleton": "VPUHPBJZPCMRMK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········nc2n1", "total": 10.936, "axes": {"activity": 4.57, "binding": 2.87, "selectivity": 0.86, "admet": 1.04, "novelty": 0.88, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.874, "fraction": 0.152}, "binding": {"pIC50": 5.48, "LE": 0.268, "potency_term": 0.161, "efficiency_cap": 0.894}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.161}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.568, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.899, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.702, "ld50-zhu": 0.532, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "0", "pAct_q10": 4.87429251081005, "aff_pf": 0.5179803172747294, "aff_hs": 1.0509003400802612, "repeats_pf": {"runs": 3, "values": [0.373, 0.4418, 0.7392], "mean": 0.518, "spread": 0.3662}, "repeats_hs": {"runs": 3, "values": [1.2599, 0.866, 1.0268], "mean": 1.0509, "spread": 0.3939}, "at": 1788817045}, "tier": 1, "alerts": [], "total_sd": 1.114, "total_ci95": [9.64, 13.142], "relegate_reason": [], "submitted_at": 1788738282, "scored_at": 1788817045, "rank": 5703}, {"candidate_id": "ODC-0F25D8", "res_at": 1789242805, "skeleton": "BWLWOKGJFSZNRL", "hf_user": "Bio-JS", "display_name": "0913-S1-div23", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNCc1nc··········)n2n1", "total": 10.931, "axes": {"activity": 5.31, "binding": 2.5, "selectivity": 0.04, "admet": 1.32, "novelty": 0.98, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 5.37, "LE": 0.32, "potency_term": 0.125, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.016, "target_engagement": 0.125}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.663, "caco2-wang": 0.401, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.463, "herg": 0.742, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.446, "novelty": 0.554}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 4.918530803323172, "aff_pf": 0.6252868473529816, "aff_hs": 0.6563210785388947, "repeats_pf": {"runs": 3, "values": [0.3955, 1.0774, 0.403], "mean": 0.6253, "spread": 0.682}, "repeats_hs": {"runs": 3, "values": [0.7918, 0.4737, 0.7035], "mean": 0.6563, "spread": 0.3181}, "at": 1789242805}, "tier": 1, "alerts": [], "total_sd": 1.404, "total_ci95": [9.376, 13.512], "relegate_reason": [], "submitted_at": 1789226372, "scored_at": 1789242805, "rank": 5704}, {"candidate_id": "ODC-F7C53F", "res_at": 1787281900, "skeleton": "CXTFAEGMJLSJIJ", "hf_user": "silversongq", "display_name": "songsong", "model_name": "GPT", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 10.905, "axes": {"activity": 2.79, "binding": 4.06, "selectivity": 0.42, "admet": 1.37, "novelty": 1.25, "synthesis": 1.02}, "detail": {"activity": {"pAct_q10": 4.768, "fraction": 0.093}, "binding": {"pIC50": 5.64, "LE": 0.286, "potency_term": 0.213, "efficiency_cap": 0.954}, "selectivity": {"fold": 1.6, "selectivity_term": 0.098, "target_engagement": 0.213}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.961, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.748, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.407, "ld50-zhu": 0.433, "herg": 0.143, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "3", "pAct_q10": 4.767511815642865, "aff_pf": 0.361284464597702, "aff_hs": 0.5575799743334452, "repeats_pf": {"runs": 3, "values": [0.2457, 0.3791, 0.4591], "mean": 0.3613, "spread": 0.2134}, "repeats_hs": {"runs": 3, "values": [0.5879, 0.5521, 0.5327], "mean": 0.5576, "spread": 0.0552}, "at": 1787281900}, "tier": 1, "relegate_reason": [], "submitted_at": 1787276500, "scored_at": 1787281900, "alerts": [], "rank": 5705}, {"candidate_id": "ODC-7898A0", "res_at": 1787188278, "skeleton": "VAYGKEIETPPLLF", "hf_user": "Ku-ku", "display_name": "XT_MAL_W3", "model_name": "manual-crosstrack", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········cncc1", "total": 10.904, "axes": {"activity": 6.21, "binding": 1.55, "selectivity": 0.0, "admet": 1.1, "novelty": 1.02, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 4.972, "fraction": 0.207}, "binding": {"pIC50": 4.95, "LE": 0.261, "potency_term": 0.089, "efficiency_cap": 0.87}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.536, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.894, "ld50-zhu": 0.308, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 1.84}}, "run": {"gpu": "3", "pAct_q10": 4.9723714783826045, "aff_pf": 1.0459342400232952, "aff_hs": 0.6648661692937216, "repeats_pf": {"runs": 3, "values": [1.0839, 0.9871, 1.0668], "mean": 1.0459, "spread": 0.0968}, "repeats_hs": {"runs": 3, "values": [0.6943, 0.6805, 0.6198], "mean": 0.6649, "spread": 0.0744}, "at": 1787188278}, "tier": 1, "relegate_reason": [], "submitted_at": 1787184196, "scored_at": 1787188278, "alerts": [], "rank": 5706}, {"candidate_id": "ODC-EE8BBD", "res_at": 1787064949, "skeleton": "BAPAVXMBHJJSFP", "hf_user": "Nicolas-007", "display_name": "Loka1", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "350-400", "visibility": "public", "smiles": "CC1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCN1c1cc(C#N)ccn1", "smiles_masked": null, "total": 10.884, "axes": {"activity": 6.41, "binding": 0.71, "selectivity": 0.0, "admet": 1.47, "novelty": 1.31, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 4.985, "fraction": 0.214}, "binding": {"pIC50": 4.68, "LE": 0.237, "potency_term": 0.045, "efficiency_cap": 0.792}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.478, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.721, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.377, "ld50-zhu": 0.443, "herg": 0.05, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.984807969585921, "aff_pf": 1.3198883930842082, "aff_hs": 1.290866216023763, "repeats_pf": {"runs": 3, "values": [1.2239, 1.545, 1.1907], "mean": 1.3199, "spread": 0.3543}, "repeats_hs": {"runs": 3, "values": [1.28, 1.3153, 1.2772], "mean": 1.2909, "spread": 0.0381}, "at": 1787064949}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064647, "scored_at": 1787064949, "alerts": [], "rank": 5707}, {"candidate_id": "ODC-2D4C27", "res_at": 1787218205, "skeleton": "FAFYLOMDNXYLDB", "hf_user": "topabaem", "display_name": "Iimura-zero", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(C)C", "total": 10.883, "axes": {"activity": 1.24, "binding": 4.13, "selectivity": 1.14, "admet": 1.85, "novelty": 1.49, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 4.674, "fraction": 0.041}, "binding": {"pIC50": 5.62, "LE": 0.385, "potency_term": 0.207, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.276, "target_engagement": 0.207}, "admet": {"geometric_mean": 0.596, "per_endpoint": {"solubility-aqsoldb": 0.538, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.771, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.217, "herg": 0.574, "dili": 0.37}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 4.674386415913409, "aff_pf": 0.38023210565249127, "aff_hs": 0.9331972797711691, "repeats_pf": {"runs": 3, "values": [0.2762, 0.5366, 0.3279], "mean": 0.3802, "spread": 0.2604}, "repeats_hs": {"runs": 3, "values": [0.9348, 0.8919, 0.9729], "mean": 0.9332, "spread": 0.081}, "at": 1787218205}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217078, "scored_at": 1787218205, "alerts": [], "rank": 5708}, {"candidate_id": "ODC-34769B", "res_at": 1789903316, "skeleton": "SAJWKOIJPOZSEM", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 10.879, "axes": {"activity": 1.46, "binding": 4.83, "selectivity": 0.48, "admet": 2.03, "novelty": 1.3, "synthesis": 0.77}, "detail": {"activity": {"pAct_q10": 4.311, "fraction": 0.049}, "binding": {"pIC50": 5.72, "LE": 0.314, "potency_term": 0.241, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.501, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.687, "cyp3a4-substrate-carbonmangels": 0.629, "ld50-zhu": 0.431, "herg": 0.923, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "2", "pAct_q10": 4.31114292843113, "aff_pf": 0.2756499995787938, "aff_hs": 0.4761485159397125, "repeats_pf": {"runs": 3, "values": [0.2949, 0.2059, 0.3261], "mean": 0.2756, "spread": 0.1202}, "repeats_hs": {"runs": 3, "values": [0.4955, 0.4462, 0.4867], "mean": 0.4761, "spread": 0.0494}, "at": 1789903316}, "tier": 1, "alerts": [], "total_sd": 0.441, "total_ci95": [10.229, 11.928], "relegate_reason": [], "submitted_at": 1789770071, "scored_at": 1789903316, "rank": 5709}, {"candidate_id": "ODC-50C450", "res_at": 1786844210, "skeleton": "TUFPLJHCJAIKAB", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(c1c··········C2)C1", "total": 10.825, "axes": {"activity": 4.31, "binding": 2.71, "selectivity": 0.9, "admet": 1.33, "novelty": 0.97, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.859, "fraction": 0.144}, "binding": {"pIC50": 5.41, "LE": 0.322, "potency_term": 0.136, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.333, "target_engagement": 0.136}, "admet": {"geometric_mean": 0.617, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.169, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 4.858809431003158, "aff_pf": 0.5932459930578867, "aff_hs": 1.2584148248036702, "repeats_pf": {"runs": 3, "values": [0.7874, 0.4763, 0.5161], "mean": 0.5932, "spread": 0.3111}, "repeats_hs": {"runs": 3, "values": [1.4449, 1.3906, 0.9397], "mean": 1.2584, "spread": 0.5052}, "at": 1786844210}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833791, "scored_at": 1786844210, "alerts": [], "rank": 5710}, {"candidate_id": "ODC-AD58DA", "res_at": 1787953783, "skeleton": "HTSAKMLTQPWZME", "hf_user": "Bio-JS", "display_name": "B7 성장칸 6-(메틸설포닐메틸)", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········)COC1", "total": 10.816, "axes": {"activity": 2.19, "binding": 4.05, "selectivity": 1.13, "admet": 1.17, "novelty": 1.46, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.731, "fraction": 0.073}, "binding": {"pIC50": 5.64, "LE": 0.286, "potency_term": 0.212, "efficiency_cap": 0.953}, "selectivity": {"fold": 3.4, "selectivity_term": 0.265, "target_engagement": 0.212}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.642, "caco2-wang": 0.678, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.55, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.618, "herg": 0.12, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 4.731388766972066, "aff_pf": 0.36326860388120014, "aff_hs": 0.8937078317006429, "repeats_pf": {"runs": 3, "values": [0.3983, 0.2749, 0.4166], "mean": 0.3633, "spread": 0.1417}, "repeats_hs": {"runs": 3, "values": [0.9538, 0.8661, 0.8612], "mean": 0.8937, "spread": 0.0927}, "at": 1787953783}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945170, "scored_at": 1787953783, "alerts": [], "rank": 5711}, {"candidate_id": "ODC-AE920B", "res_at": 1787143824, "skeleton": "XBKQVHZMWMPEEV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 10.805, "axes": {"activity": 2.23, "binding": 4.34, "selectivity": 0.0, "admet": 1.98, "novelty": 1.18, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 4.482, "fraction": 0.074}, "binding": {"pIC50": 5.65, "LE": 0.387, "potency_term": 0.217, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.217}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.957, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.796, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.581, "herg": 0.401, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "3", "pAct_q10": 4.481900721118838, "aff_pf": 0.34955163796742755, "aff_hs": 0.3463110725084941, "repeats_pf": {"runs": 3, "values": [0.2834, 0.4374, 0.3279], "mean": 0.3496, "spread": 0.154}, "repeats_hs": {"runs": 3, "values": [0.3934, 0.3549, 0.2907], "mean": 0.3463, "spread": 0.1027}, "at": 1787143824}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142852, "scored_at": 1787143824, "alerts": [], "rank": 5712}, {"candidate_id": "ODC-1721AF", "res_at": 1787059825, "skeleton": "QZMOVRHUTSNHPS", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········C2)n1", "total": 10.801, "axes": {"activity": 5.26, "binding": 2.24, "selectivity": 0.0, "admet": 1.56, "novelty": 1.33, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.916, "fraction": 0.175}, "binding": {"pIC50": 5.34, "LE": 0.305, "potency_term": 0.112, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.112}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.66, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.488, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.85, "herg": 0.068, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 4.915523402389352, "aff_pf": 0.6639580726623535, "aff_hs": 0.4295053680737813, "repeats_pf": {"runs": 3, "values": [0.4984, 0.5085, 0.985], "mean": 0.664, "spread": 0.4866}, "repeats_hs": {"runs": 3, "values": [0.3071, 0.5513, 0.4301], "mean": 0.4295, "spread": 0.2442}, "at": 1787059825}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057925, "scored_at": 1787059825, "alerts": [], "rank": 5713}, {"candidate_id": "ODC-9B5800", "res_at": 1786947179, "skeleton": "FPDBNYSYLHISGH", "hf_user": "takutoyo", "display_name": "PfD-04", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········cn2n1", "total": 10.786, "axes": {"activity": 4.96, "binding": 2.75, "selectivity": 0.41, "admet": 0.87, "novelty": 1.03, "synthesis": 0.76}, "detail": {"activity": {"pAct_q10": 4.898, "fraction": 0.165}, "binding": {"pIC50": 5.43, "LE": 0.286, "potency_term": 0.144, "efficiency_cap": 0.954}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.144}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.416, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.874, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 4.89769818342725, "aff_pf": 0.5672771135965983, "aff_hs": 0.8496086994806925, "repeats_pf": {"runs": 3, "values": [0.6791, 0.5015, 0.5212], "mean": 0.5673, "spread": 0.1776}, "repeats_hs": {"runs": 3, "values": [0.6549, 1.0671, 0.8268], "mean": 0.8496, "spread": 0.4122}, "at": 1786947179}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935211, "scored_at": 1786947179, "alerts": [], "rank": 5714}, {"candidate_id": "ODC-ADF222", "res_at": 1786805078, "skeleton": "AMQROESLFRVGTD", "hf_user": "DOATC", "display_name": "SOL_BALNOV_01", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 10.718, "axes": {"activity": 1.69, "binding": 4.36, "selectivity": 0.7, "admet": 1.76, "novelty": 1.39, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.37, "fraction": 0.056}, "binding": {"pIC50": 5.65, "LE": 0.337, "potency_term": 0.218, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.16, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.386, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.447, "herg": 0.522, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 4.370466526653614, "aff_pf": 0.3460277219613393, "aff_hs": 0.6651276548703512, "repeats_pf": {"runs": 3, "values": [0.3245, 0.3182, 0.3954], "mean": 0.346, "spread": 0.0771}, "repeats_hs": {"runs": 3, "values": [0.6925, 0.6929, 0.6099], "mean": 0.6651, "spread": 0.083}, "at": 1786805078}, "tier": 1, "relegate_reason": [], "submitted_at": 1786787440, "scored_at": 1786805078, "alerts": [], "rank": 5715}, {"candidate_id": "ODC-E81281", "res_at": 1788094059, "skeleton": "UFBSFTCUEMWABH", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cnc··········(F)c1", "total": 10.701, "axes": {"activity": 6.71, "binding": 0.19, "selectivity": 0.04, "admet": 1.17, "novelty": 1.46, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.003, "fraction": 0.224}, "binding": {"pIC50": 5.03, "LE": 0.287, "potency_term": 0.01, "efficiency_cap": 0.957}, "selectivity": {"fold": 2.5, "selectivity_term": 0.202, "target_engagement": 0.01}, "admet": {"geometric_mean": 0.35, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.969, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.248, "ld50-zhu": 0.839, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 5.002648534063615, "aff_pf": 0.9694871107737223, "aff_hs": 1.3734371264775593, "repeats_pf": {"runs": 3, "values": [0.9926, 0.9355, 0.9803], "mean": 0.9695, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [1.3923, 1.4402, 1.2878], "mean": 1.3734, "spread": 0.1524}, "at": 1788094059}, "tier": 1, "alerts": [], "total_sd": 0.107, "total_ci95": [10.52, 10.858], "relegate_reason": [], "submitted_at": 1788081299, "scored_at": 1788094059, "rank": 5716}, {"candidate_id": "ODC-AB9058", "res_at": 1788505644, "skeleton": "NYKRLFWLVKECFE", "hf_user": "dlghkdueo", "display_name": "R6-E2", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)c1F", "total": 10.664, "axes": {"activity": 2.33, "binding": 4.17, "selectivity": 0.27, "admet": 1.53, "novelty": 1.33, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 4.74, "fraction": 0.078}, "binding": {"pIC50": 5.62, "LE": 0.367, "potency_term": 0.208, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.208}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.577, "ld50-zhu": 0.284, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "0", "pAct_q10": 4.739681398020093, "aff_pf": 0.37504710753758747, "aff_hs": 0.5033082664012909, "repeats_pf": {"runs": 3, "values": [0.2602, 0.5196, 0.3454], "mean": 0.375, "spread": 0.2594}, "repeats_hs": {"runs": 3, "values": [0.4783, 0.446, 0.5856], "mean": 0.5033, "spread": 0.1397}, "at": 1788505644}, "tier": 1, "alerts": [], "total_sd": 0.983, "total_ci95": [8.53, 12.391], "relegate_reason": [], "submitted_at": 1788448222, "scored_at": 1788505644, "rank": 5717}, {"candidate_id": "ODC-A1B298", "res_at": 1787914773, "skeleton": "PNBNNJPGILOGMV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCn1c··········2c1=O", "total": 10.648, "axes": {"activity": 5.4, "binding": 2.26, "selectivity": 0.0, "admet": 1.35, "novelty": 1.02, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.924, "fraction": 0.18}, "binding": {"pIC50": 5.44, "LE": 0.233, "potency_term": 0.145, "efficiency_cap": 0.776}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.145}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.671, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.32, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 3.59}}, "run": {"gpu": "0", "pAct_q10": 4.924078834027266, "aff_pf": 0.5636182328065237, "aff_hs": 0.5398127436637878, "repeats_pf": {"runs": 3, "values": [0.6508, 0.3341, 0.706], "mean": 0.5636, "spread": 0.372}, "repeats_hs": {"runs": 3, "values": [0.5008, 0.6887, 0.4299], "mean": 0.5398, "spread": 0.2588}, "at": 1787914773}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898761, "scored_at": 1787914773, "alerts": [], "rank": 5718}, {"candidate_id": "ODC-F82496", "res_at": 1787567816, "skeleton": "FVUWHKFOTWJSCK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 10.636, "axes": {"activity": 6.33, "binding": 0.96, "selectivity": 0.0, "admet": 1.48, "novelty": 0.89, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.98, "fraction": 0.211}, "binding": {"pIC50": 4.75, "LE": 0.271, "potency_term": 0.053, "efficiency_cap": 0.904}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.259, "caco2-wang": 0.976, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.546, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.414, "herg": 0.773, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 4.98000747725176, "aff_pf": 1.2511242230733235, "aff_hs": 0.6377327640851339, "repeats_pf": {"runs": 3, "values": [1.2373, 1.2188, 1.2972], "mean": 1.2511, "spread": 0.0784}, "repeats_hs": {"runs": 3, "values": [0.6041, 0.6801, 0.629], "mean": 0.6377, "spread": 0.0761}, "at": 1787567816}, "tier": 1, "relegate_reason": [], "submitted_at": 1787564955, "scored_at": 1787567816, "alerts": [], "rank": 5719}, {"candidate_id": "ODC-B6AD36", "res_at": 1788080365, "skeleton": "NJBVGSXLQPJVSR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········CO)n1", "total": 10.624, "axes": {"activity": 5.88, "binding": 0.8, "selectivity": 0.2, "admet": 1.83, "novelty": 1.09, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.953, "fraction": 0.196}, "binding": {"pIC50": 5.12, "LE": 0.292, "potency_term": 0.041, "efficiency_cap": 0.975}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.041}, "admet": {"geometric_mean": 0.622, "per_endpoint": {"solubility-aqsoldb": 0.645, "caco2-wang": 0.819, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.859, "cyp2c9-veith": 0.401, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.682, "herg": 0.359, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 4.953039763873209, "aff_pf": 0.8774125774701437, "aff_hs": 1.3776514132817586, "repeats_pf": {"runs": 3, "values": [0.8327, 0.7998, 0.9998], "mean": 0.8774, "spread": 0.2001}, "repeats_hs": {"runs": 3, "values": [1.4755, 1.3587, 1.2987], "mean": 1.3777, "spread": 0.1768}, "at": 1788080365}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [10.048, 11.316], "relegate_reason": [], "submitted_at": 1788058591, "scored_at": 1788080365, "rank": 5720}, {"candidate_id": "ODC-B74CFF", "res_at": 1787059846, "skeleton": "FFMHFHBQCJKPCV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)CO1", "total": 10.597, "axes": {"activity": 0.31, "binding": 4.82, "selectivity": 0.15, "admet": 2.8, "novelty": 1.92, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.619, "fraction": 0.01}, "binding": {"pIC50": 5.72, "LE": 0.373, "potency_term": 0.241, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.031, "target_engagement": 0.241}, "admet": {"geometric_mean": 0.774, "per_endpoint": {"solubility-aqsoldb": 0.581, "caco2-wang": 0.985, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.197, "ld50-zhu": 0.591, "herg": 1.0, "dili": 0.95}}, "novelty": {"max_tanimoto": 0.205, "novelty": 0.795}, "synthesis": {"sa_score": 4.24}}, "run": {"gpu": "2", "pAct_q10": 4.618679835307188, "aff_pf": 0.27739572028319043, "aff_hs": 0.33980871737003326, "repeats_pf": {"runs": 3, "values": [0.3011, 0.3067, 0.2244], "mean": 0.2774, "spread": 0.0823}, "repeats_hs": {"runs": 3, "values": [0.2788, 0.2245, 0.5162], "mean": 0.3398, "spread": 0.2917}, "at": 1787059846}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057952, "scored_at": 1787059846, "alerts": [], "rank": 5721}, {"candidate_id": "ODC-68AE41", "res_at": 1787287573, "skeleton": "XHMDFFYDWFDYBO", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCC(=O)··········2)CC1", "total": 10.572, "axes": {"activity": 5.87, "binding": 0.93, "selectivity": 0.0, "admet": 1.63, "novelty": 1.36, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.952, "fraction": 0.196}, "binding": {"pIC50": 4.74, "LE": 0.27, "potency_term": 0.052, "efficiency_cap": 0.901}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.989, "cyp3a4-substrate-carbonmangels": 0.061, "ld50-zhu": 0.45, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 4.951916114843801, "aff_pf": 1.2628328402837117, "aff_hs": 0.9957772095998129, "repeats_pf": {"runs": 3, "values": [1.276, 1.2047, 1.3078], "mean": 1.2628, "spread": 0.103}, "repeats_hs": {"runs": 3, "values": [1.0386, 0.9482, 1.0006], "mean": 0.9958, "spread": 0.0904}, "at": 1787287573}, "tier": 1, "relegate_reason": [], "submitted_at": 1787286692, "scored_at": 1787287573, "alerts": [], "rank": 5722}, {"candidate_id": "ODC-EA499C", "res_at": 1788816546, "skeleton": "VUFAPDUXJQNGCC", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········nc2n1", "total": 10.567, "axes": {"activity": 6.06, "binding": 1.21, "selectivity": 0.0, "admet": 1.22, "novelty": 1.1, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 4.964, "fraction": 0.202}, "binding": {"pIC50": 5.21, "LE": 0.264, "potency_term": 0.069, "efficiency_cap": 0.881}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.069}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.585, "cyp2c9-veith": 0.165, "cyp3a4-substrate-carbonmangels": 0.53, "ld50-zhu": 0.466, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 4.963500204492595, "aff_pf": 0.7931749224662781, "aff_hs": 0.1846572458744049, "repeats_pf": {"runs": 3, "values": [0.8594, 0.8315, 0.6887], "mean": 0.7932, "spread": 0.1707}, "repeats_hs": {"runs": 3, "values": [0.0838, 0.1967, 0.2734], "mean": 0.1847, "spread": 0.1897}, "at": 1788816546}, "tier": 1, "alerts": [], "total_sd": 0.262, "total_ci95": [10.168, 11.217], "relegate_reason": [], "submitted_at": 1788738233, "scored_at": 1788816546, "rank": 5723}, {"candidate_id": "ODC-5BB268", "res_at": 1788864300, "skeleton": "SUEGQIZUKLTHER", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-30", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cn2n1", "total": 10.543, "axes": {"activity": 5.7, "binding": 1.09, "selectivity": 0.0, "admet": 1.65, "novelty": 1.15, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 4.942, "fraction": 0.19}, "binding": {"pIC50": 4.78, "LE": 0.285, "potency_term": 0.058, "efficiency_cap": 0.949}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.477, "cyp3a4-substrate-carbonmangels": 0.748, "ld50-zhu": 0.517, "herg": 0.822, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 4.94202743847476, "aff_pf": 1.2204078435897827, "aff_hs": 1.1072360674540203, "repeats_pf": {"runs": 3, "values": [1.2369, 1.2556, 1.1688], "mean": 1.2204, "spread": 0.0868}, "repeats_hs": {"runs": 3, "values": [1.1347, 1.101, 1.086], "mean": 1.1072, "spread": 0.0487}, "at": 1788864300}, "tier": 1, "alerts": [], "total_sd": 0.063, "total_ci95": [10.443, 10.707], "relegate_reason": [], "submitted_at": 1788856802, "scored_at": 1788864300, "rank": 5724}, {"candidate_id": "ODC-0E6C9A", "res_at": 1788502571, "skeleton": "AEPBGZZWNWDSKM", "hf_user": "dlghkdueo", "display_name": "R6-B4", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 10.521, "axes": {"activity": 4.82, "binding": 2.54, "selectivity": 0.07, "admet": 1.28, "novelty": 1.01, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 4.889, "fraction": 0.161}, "binding": {"pIC50": 5.38, "LE": 0.307, "potency_term": 0.127, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.027, "target_engagement": 0.127}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.971, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.4, "cyp3a4-substrate-carbonmangels": 0.652, "ld50-zhu": 0.39, "herg": 0.864, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "0", "pAct_q10": 4.8894899422881455, "aff_pf": 0.6190077165762583, "aff_hs": 0.6731066703796387, "repeats_pf": {"runs": 3, "values": [0.6227, 0.4889, 0.7455], "mean": 0.619, "spread": 0.2566}, "repeats_hs": {"runs": 3, "values": [0.7236, 0.6558, 0.6399], "mean": 0.6731, "spread": 0.0837}, "at": 1788502571}, "tier": 1, "alerts": [], "total_sd": 0.532, "total_ci95": [9.608, 11.825], "relegate_reason": [], "submitted_at": 1788447631, "scored_at": 1788502571, "rank": 5725}, {"candidate_id": "ODC-80B153", "res_at": 1789555400, "skeleton": "ICGQCHVONZVZRO", "hf_user": "Bio-JS", "display_name": "0916-S1-div28", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········c1C#N", "total": 10.521, "axes": {"activity": 6.3, "binding": 0.27, "selectivity": 0.0, "admet": 1.89, "novelty": 1.2, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.978, "fraction": 0.21}, "binding": {"pIC50": 5.04, "LE": 0.288, "potency_term": 0.014, "efficiency_cap": 0.959}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.014}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.609, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.853, "ld50-zhu": 0.435, "herg": 0.789, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 4.977756180521505, "aff_pf": 0.9576614697774252, "aff_hs": -0.019528570274511974, "repeats_pf": {"runs": 3, "values": [0.8605, 1.1316, 0.8809], "mean": 0.9577, "spread": 0.2711}, "repeats_hs": {"runs": 3, "values": [0.0497, 0.0365, -0.1448], "mean": -0.0195, "spread": 0.1945}, "at": 1789555400}, "tier": 1, "alerts": [], "total_sd": 0.554, "total_ci95": [10.477, 11.952], "relegate_reason": [], "submitted_at": 1789526930, "scored_at": 1789555400, "rank": 5726}, {"candidate_id": "ODC-C1C60B", "res_at": 1786828282, "skeleton": "CQJTUEMZPSOKQV", "hf_user": "zero-stone", "display_name": "ZERO", "model_name": "gemini", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC1=CN=··········N=S12", "total": 10.51, "axes": {"activity": 6.17, "binding": 0.45, "selectivity": 0.0, "admet": 1.97, "novelty": 1.37, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.97, "fraction": 0.206}, "binding": {"pIC50": 4.41, "LE": 0.318, "potency_term": 0.023, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.638, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.612, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.452, "herg": 0.804, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 4.14}}, "run": {"gpu": "3", "pAct_q10": 4.970175388967087, "aff_pf": 1.5934886535008748, "aff_hs": 0.694792906443278, "repeats_pf": {"runs": 3, "values": [1.5664, 1.6347, 1.5794], "mean": 1.5935, "spread": 0.0682}, "repeats_hs": {"runs": 3, "values": [0.6692, 0.6608, 0.7543], "mean": 0.6948, "spread": 0.0934}, "at": 1786828282}, "tier": 1, "relegate_reason": [], "submitted_at": 1786791492, "scored_at": 1786828282, "alerts": [], "rank": 5727}, {"candidate_id": "ODC-09F823", "res_at": 1787191076, "skeleton": "CULQQYMXEHLNPZ", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COC(=O)··········Cl)c1", "total": 10.474, "axes": {"activity": 5.85, "binding": 0.81, "selectivity": 0.0, "admet": 1.97, "novelty": 1.38, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.951, "fraction": 0.195}, "binding": {"pIC50": 4.64, "LE": 0.335, "potency_term": 0.041, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.674, "per_endpoint": {"solubility-aqsoldb": 0.704, "caco2-wang": 0.939, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.59, "herg": 0.354, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 4.32}}, "run": {"gpu": "3", "pAct_q10": 4.950800012615757, "aff_pf": 1.3603041569391887, "aff_hs": 1.2742443084716797, "repeats_pf": {"runs": 3, "values": [1.3277, 1.3983, 1.3549], "mean": 1.3603, "spread": 0.0706}, "repeats_hs": {"runs": 3, "values": [0.9817, 1.5434, 1.2977], "mean": 1.2742, "spread": 0.5617}, "at": 1787191076}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188713, "scored_at": 1787191076, "alerts": [], "rank": 5728}, {"candidate_id": "ODC-A308E0", "res_at": 1787415226, "skeleton": "CDHLYNNDBPRCJQ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1nc2··········[nH]1", "total": 10.469, "axes": {"activity": 2.24, "binding": 4.05, "selectivity": 0.0, "admet": 1.79, "novelty": 1.43, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 4.483, "fraction": 0.075}, "binding": {"pIC50": 5.61, "LE": 0.384, "potency_term": 0.203, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.203}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.406, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.754, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.483367048614032, "aff_pf": 0.3922312359015147, "aff_hs": -0.013352406521638235, "repeats_pf": {"runs": 3, "values": [0.5673, 0.5265, 0.0829], "mean": 0.3922, "spread": 0.4844}, "repeats_hs": {"runs": 3, "values": [-0.0459, -0.0688, 0.0746], "mean": -0.0134, "spread": 0.1434}, "at": 1787415226}, "tier": 1, "relegate_reason": [], "submitted_at": 1787409859, "scored_at": 1787415226, "alerts": [], "rank": 5729}, {"candidate_id": "ODC-41870C", "res_at": 1787395370, "skeleton": "BITMLTLLFJOZSR", "hf_user": "jlee277", "display_name": "Agent_KIM", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(N··········)c1=O", "total": 10.462, "axes": {"activity": 2.37, "binding": 4.04, "selectivity": 0.0, "admet": 1.76, "novelty": 1.3, "synthesis": 1.0}, "detail": {"activity": {"pAct_q10": 4.742, "fraction": 0.079}, "binding": {"pIC50": 5.61, "LE": 0.334, "potency_term": 0.202, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.202}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.224, "caco2-wang": 0.923, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.716, "ld50-zhu": 0.718, "herg": 0.43, "dili": 0.137}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.742182202044895, "aff_pf": 0.3940088947614034, "aff_hs": 0.2588922530412674, "repeats_pf": {"runs": 3, "values": [0.4428, 0.4389, 0.3003], "mean": 0.394, "spread": 0.1424}, "repeats_hs": {"runs": 3, "values": [0.2375, 0.3013, 0.2378], "mean": 0.2589, "spread": 0.0638}, "at": 1787395370}, "tier": 1, "relegate_reason": [], "submitted_at": 1787395031, "scored_at": 1787395370, "alerts": [], "rank": 5730}, {"candidate_id": "ODC-53AC90", "res_at": 1786894782, "skeleton": "KSBFDWPCLRNZOR", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(B··········)nn12", "total": 10.447, "axes": {"activity": 6.05, "binding": 0.94, "selectivity": 0.0, "admet": 1.31, "novelty": 1.34, "synthesis": 0.81}, "detail": {"activity": {"pAct_q10": 4.963, "fraction": 0.202}, "binding": {"pIC50": 4.77, "LE": 0.251, "potency_term": 0.056, "efficiency_cap": 0.837}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.458, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.314, "cyp3a4-substrate-carbonmangels": 0.119, "ld50-zhu": 0.541, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 4.962882974381207, "aff_pf": 1.232143481572469, "aff_hs": 1.1545754273732503, "repeats_pf": {"runs": 3, "values": [1.4709, 1.1047, 1.1208], "mean": 1.2321, "spread": 0.3662}, "repeats_hs": {"runs": 3, "values": [1.2591, 1.1079, 1.0967], "mean": 1.1546, "spread": 0.1623}, "at": 1786894782}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879756, "scored_at": 1786894782, "alerts": [], "rank": 5731}, {"candidate_id": "ODC-D959FE", "res_at": 1787030582, "skeleton": "UYLKMAGEQXHUFZ", "hf_user": "epicsaga", "display_name": "PFD-01", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········ccn12", "total": 10.433, "axes": {"activity": 2.5, "binding": 3.86, "selectivity": 0.49, "admet": 1.44, "novelty": 1.18, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.527, "fraction": 0.083}, "binding": {"pIC50": 5.58, "LE": 0.318, "potency_term": 0.193, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.193}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.931, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.386, "cyp3a4-substrate-carbonmangels": 0.457, "ld50-zhu": 0.472, "herg": 0.469, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 4.526698113956834, "aff_pf": 0.4206102391084035, "aff_hs": 0.6766020456949869, "repeats_pf": {"runs": 3, "values": [0.4183, 0.4063, 0.4373], "mean": 0.4206, "spread": 0.031}, "repeats_hs": {"runs": 3, "values": [0.7685, 0.6866, 0.5747], "mean": 0.6766, "spread": 0.1937}, "at": 1787030582}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029764, "scored_at": 1787030582, "alerts": [], "rank": 5732}, {"candidate_id": "ODC-7B7AEA", "res_at": 1787022039, "skeleton": "CMDCIRVYHJGOPP", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Oc··········cc1Cl", "total": 10.432, "axes": {"activity": 1.33, "binding": 4.48, "selectivity": 0.0, "admet": 2.07, "novelty": 1.46, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 4.68, "fraction": 0.044}, "binding": {"pIC50": 5.67, "LE": 0.338, "potency_term": 0.224, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.224}, "admet": {"geometric_mean": 0.617, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.997, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.616, "cyp3a4-substrate-carbonmangels": 0.659, "ld50-zhu": 0.512, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "2", "pAct_q10": 4.6800950273553426, "aff_pf": 0.3279733757177989, "aff_hs": -0.035694810251394905, "repeats_pf": {"runs": 3, "values": [0.2351, 0.3641, 0.3847], "mean": 0.328, "spread": 0.1495}, "repeats_hs": {"runs": 3, "values": [-0.081, 0.1092, -0.1353], "mean": -0.0357, "spread": 0.2445}, "at": 1787022039}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021387, "scored_at": 1787022039, "alerts": [], "rank": 5733}, {"candidate_id": "ODC-1C87B2", "res_at": 1786822774, "skeleton": "LMLQAHCGMKQUGU", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········)cc12", "total": 10.422, "axes": {"activity": 5.04, "binding": 2.24, "selectivity": 0.0, "admet": 1.16, "novelty": 1.15, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.903, "fraction": 0.168}, "binding": {"pIC50": 5.34, "LE": 0.318, "potency_term": 0.112, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.112}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.926, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.307, "herg": 0.375, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 4.902636462609927, "aff_pf": 0.6643325885136923, "aff_hs": 0.385064164797465, "repeats_pf": {"runs": 3, "values": [0.6789, 0.614, 0.7002], "mean": 0.6643, "spread": 0.0862}, "repeats_hs": {"runs": 3, "values": [0.3438, 0.4185, 0.393], "mean": 0.3851, "spread": 0.0747}, "at": 1786822774}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789987, "scored_at": 1786822774, "alerts": [], "rank": 5734}, {"candidate_id": "ODC-AA0C47", "res_at": 1787933780, "skeleton": "AZWWMJPDSFVJID", "hf_user": "gosynin", "display_name": "synin", "model_name": "", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1n[nH]c(=O)c2cc([C@](C)(O)c3ccc(C(F)(F)F)nc3)ccc12", "smiles_masked": null, "total": 10.394, "axes": {"activity": 4.2, "binding": 3.07, "selectivity": 0.56, "admet": 0.94, "novelty": 1.01, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.852, "fraction": 0.14}, "binding": {"pIC50": 5.46, "LE": 0.299, "potency_term": 0.154, "efficiency_cap": 0.998}, "selectivity": {"fold": 2.3, "selectivity_term": 0.182, "target_engagement": 0.154}, "admet": {"geometric_mean": 0.41, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.597, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.288, "herg": 0.111, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 4.851867395451043, "aff_pf": 0.5390632152557373, "aff_hs": 0.9034581184387207, "repeats_pf": {"runs": 3, "values": [0.5647, 0.5359, 0.5166], "mean": 0.5391, "spread": 0.0481}, "repeats_hs": {"runs": 3, "values": [0.8948, 0.8768, 0.9388], "mean": 0.9035, "spread": 0.062}, "at": 1787933780}, "tier": 1, "relegate_reason": [], "submitted_at": 1787914468, "scored_at": 1787933780, "alerts": [], "rank": 5735}, {"candidate_id": "ODC-9C4333", "res_at": 1788074341, "skeleton": "UHKIHOUGLAJCDC", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········COCC1", "total": 10.391, "axes": {"activity": 5.32, "binding": 1.69, "selectivity": 0.34, "admet": 1.01, "novelty": 1.13, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 5.29, "LE": 0.259, "potency_term": 0.098, "efficiency_cap": 0.863}, "selectivity": {"fold": 2.2, "selectivity_term": 0.176, "target_engagement": 0.098}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.704, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.801, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.237, "ld50-zhu": 0.436, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 4.919154681601519, "aff_pf": 0.7058257063229879, "aff_hs": 1.0574962298075359, "repeats_pf": {"runs": 3, "values": [0.8867, 0.7217, 0.5091], "mean": 0.7058, "spread": 0.3775}, "repeats_hs": {"runs": 3, "values": [1.0605, 1.0546, 1.0574], "mean": 1.0575, "spread": 0.0059}, "at": 1788074341}, "tier": 1, "alerts": [], "total_sd": 0.708, "total_ci95": [9.047, 12.179], "relegate_reason": [], "submitted_at": 1788028846, "scored_at": 1788074341, "rank": 5736}, {"candidate_id": "ODC-F8F787", "res_at": 1787949760, "skeleton": "YWFDTKLKIWPLPW", "hf_user": "dlghkdueo", "display_name": "SOMANG-D5", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 10.379, "axes": {"activity": 0.99, "binding": 4.5, "selectivity": 0.44, "admet": 1.93, "novelty": 1.39, "synthesis": 1.13}, "detail": {"activity": {"pAct_q10": 4.157, "fraction": 0.033}, "binding": {"pIC50": 5.68, "LE": 0.324, "potency_term": 0.225, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.225}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.203, "caco2-wang": 0.965, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.819, "ld50-zhu": 0.556, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "0", "pAct_q10": 4.156565807313076, "aff_pf": 0.324711412191391, "aff_hs": 0.5184415578842163, "repeats_pf": {"runs": 3, "values": [0.2958, 0.2898, 0.3886], "mean": 0.3247, "spread": 0.0988}, "repeats_hs": {"runs": 3, "values": [0.5343, 0.4815, 0.5395], "mean": 0.5184, "spread": 0.058}, "at": 1787949760}, "tier": 1, "relegate_reason": [], "submitted_at": 1787937028, "scored_at": 1787949760, "alerts": [], "rank": 5737}, {"candidate_id": "ODC-C87761", "res_at": 1786921358, "skeleton": "VMXLZAQYDKEYBU", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "gpt5.6 sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(F··········3)nn1", "total": 10.353, "axes": {"activity": 5.79, "binding": 1.06, "selectivity": 0.0, "admet": 1.76, "novelty": 0.8, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.947, "fraction": 0.193}, "binding": {"pIC50": 4.74, "LE": 0.325, "potency_term": 0.053, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.668, "cyp3a4-substrate-carbonmangels": 0.541, "ld50-zhu": 0.43, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.583, "novelty": 0.417}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 4.947484644079733, "aff_pf": 1.25527556737264, "aff_hs": 1.0589157342910767, "repeats_pf": {"runs": 3, "values": [1.3283, 1.2414, 1.1961], "mean": 1.2553, "spread": 0.1322}, "repeats_hs": {"runs": 3, "values": [0.9446, 1.1462, 1.086], "mean": 1.0589, "spread": 0.2016}, "at": 1786921358}, "tier": 1, "relegate_reason": [], "submitted_at": 1786921167, "scored_at": 1786921358, "alerts": [], "rank": 5738}, {"candidate_id": "ODC-12FB9F", "res_at": 1786980239, "skeleton": "VPFFOOZGAGNJQC", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC1C··········cccc1", "total": 10.35, "axes": {"activity": 5.74, "binding": 0.5, "selectivity": 0.0, "admet": 1.99, "novelty": 1.21, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 4.944, "fraction": 0.191}, "binding": {"pIC50": 4.46, "LE": 0.291, "potency_term": 0.026, "efficiency_cap": 0.969}, "selectivity": {"fold": 3.5, "selectivity_term": 0.274, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.693, "per_endpoint": {"solubility-aqsoldb": 0.903, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.414, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "2", "pAct_q10": 4.944495154763595, "aff_pf": 1.5449986060460408, "aff_hs": 2.093719482421875, "repeats_pf": {"runs": 3, "values": [1.398, 1.8398, 1.3972], "mean": 1.545, "spread": 0.4426}, "repeats_hs": {"runs": 3, "values": [2.1045, 2.1319, 2.0448], "mean": 2.0937, "spread": 0.087}, "at": 1786980239}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977303, "scored_at": 1786980239, "alerts": [], "rank": 5739}, {"candidate_id": "ODC-3B0955", "res_at": 1786753571, "skeleton": "ZVDMAAOOPVZZPT", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "250-300", "visibility": "public", "smiles": "Nc1ncnc2c1ccn2Cc1ccc(C(F)(F)F)cc1", "smiles_masked": null, "total": 10.35, "axes": {"activity": 5.58, "binding": 1.01, "selectivity": 0.0, "admet": 1.62, "novelty": 1.21, "synthesis": 0.93}, "detail": {"activity": {"pAct_q10": 4.935, "fraction": 0.186}, "binding": {"pIC50": 4.73, "LE": 0.308, "potency_term": 0.05, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.839, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.468, "herg": 0.259, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "3", "pAct_q10": 4.935042178828743, "aff_pf": 1.274991512298584, "aff_hs": 1.6576842069625854, "at": 1786753571}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786753571, "alerts": [], "rank": 5740}, {"candidate_id": "ODC-F80206", "res_at": 1787919750, "skeleton": "MZIIVZMICSJANX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········s2)c1", "total": 10.35, "axes": {"activity": 4.59, "binding": 2.96, "selectivity": 0.0, "admet": 1.29, "novelty": 0.74, "synthesis": 0.77}, "detail": {"activity": {"pAct_q10": 4.875, "fraction": 0.153}, "binding": {"pIC50": 5.44, "LE": 0.339, "potency_term": 0.148, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.148}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.505, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.403, "ld50-zhu": 0.29, "herg": 0.497, "dili": 0.333}}, "novelty": {"max_tanimoto": 0.515, "novelty": 0.485}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.875463844732914, "aff_pf": 0.555341362953186, "aff_hs": 0.3849968711535136, "repeats_pf": {"runs": 3, "values": [0.5314, 0.558, 0.5766], "mean": 0.5553, "spread": 0.0451}, "repeats_hs": {"runs": 3, "values": [0.3285, 0.4054, 0.421], "mean": 0.385, "spread": 0.0925}, "at": 1787919750}, "tier": 1, "relegate_reason": [], "submitted_at": 1787907333, "scored_at": 1787919750, "alerts": [], "rank": 5741}, {"candidate_id": "ODC-13BA72", "res_at": 1787219438, "skeleton": "ARKQMZYTHJZVIQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 10.325, "axes": {"activity": 4.89, "binding": 1.52, "selectivity": 0.56, "admet": 1.41, "novelty": 1.12, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.894, "fraction": 0.163}, "binding": {"pIC50": 5.23, "LE": 0.341, "potency_term": 0.076, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.371, "target_engagement": 0.076}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.609, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.439, "cyp3a4-substrate-carbonmangels": 0.348, "ld50-zhu": 0.332, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 4.893609257139976, "aff_pf": 0.7716930707295736, "aff_hs": 1.513544996579488, "repeats_pf": {"runs": 3, "values": [0.6507, 0.7625, 0.9019], "mean": 0.7717, "spread": 0.2512}, "repeats_hs": {"runs": 3, "values": [1.3821, 1.5041, 1.6545], "mean": 1.5135, "spread": 0.2724}, "at": 1787219438}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217164, "scored_at": 1787219438, "alerts": [], "rank": 5742}, {"candidate_id": "ODC-2E0300", "res_at": 1789509943, "skeleton": "AQMCSOCQQIMWMB", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 10.314, "axes": {"activity": 5.24, "binding": 1.69, "selectivity": 0.0, "admet": 1.49, "novelty": 1.02, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.915, "fraction": 0.175}, "binding": {"pIC50": 4.93, "LE": 0.307, "potency_term": 0.085, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.848, "cyp2c9-veith": 0.284, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.606, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "0", "pAct_q10": 4.914558784543874, "aff_pf": 1.0667552550633748, "aff_hs": 1.5929431120554607, "repeats_pf": {"runs": 3, "values": [1.1073, 1.0212, 1.0718], "mean": 1.0668, "spread": 0.0861}, "repeats_hs": {"runs": 3, "values": [1.5119, 1.5704, 1.6965], "mean": 1.5929, "spread": 0.1846}, "at": 1789509943}, "tier": 1, "alerts": [], "total_sd": 0.08, "total_ci95": [10.197, 10.518], "relegate_reason": [], "submitted_at": 1789495231, "scored_at": 1789509943, "rank": 5743}, {"candidate_id": "ODC-3A7E41", "res_at": 1786839678, "skeleton": "ZEYTWQVOVPEXRY", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········2)nc1", "total": 10.303, "axes": {"activity": 5.19, "binding": 1.57, "selectivity": 0.14, "admet": 1.51, "novelty": 1.03, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.911, "fraction": 0.173}, "binding": {"pIC50": 5.23, "LE": 0.398, "potency_term": 0.078, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.091, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.996, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.878, "cyp3a4-substrate-carbonmangels": 0.547, "ld50-zhu": 0.324, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.09}}, "run": {"gpu": "2", "pAct_q10": 4.911490986256301, "aff_pf": 0.7651033997535706, "aff_hs": 0.9463460644086202, "repeats_pf": {"runs": 3, "values": [0.801, 0.8494, 0.6449], "mean": 0.7651, "spread": 0.2046}, "repeats_hs": {"runs": 3, "values": [0.9358, 0.9651, 0.9381], "mean": 0.9463, "spread": 0.0292}, "at": 1786839678}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805244, "scored_at": 1786839678, "alerts": [], "rank": 5744}, {"candidate_id": "ODC-680EE0", "res_at": 1787225482, "skeleton": "MVNUZHOGNUCQJT", "hf_user": "hansu99", "display_name": "R0K", "model_name": "Neberon3A3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2s··········c2cn1", "total": 10.284, "axes": {"activity": 6.45, "binding": 0.27, "selectivity": 0.0, "admet": 1.21, "novelty": 1.3, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.987, "fraction": 0.215}, "binding": {"pIC50": 4.33, "LE": 0.22, "potency_term": 0.019, "efficiency_cap": 0.732}, "selectivity": {"fold": 2.7, "selectivity_term": 0.213, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.817, "ld50-zhu": 0.486, "herg": 0.468, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 4.987074469663869, "aff_pf": 1.6697721083958943, "aff_hs": 2.095813433329264, "repeats_pf": {"runs": 3, "values": [1.6853, 1.6874, 1.6367], "mean": 1.6698, "spread": 0.0507}, "repeats_hs": {"runs": 3, "values": [2.0703, 1.9788, 2.2383], "mean": 2.0958, "spread": 0.2595}, "at": 1787225482}, "tier": 1, "relegate_reason": [], "submitted_at": 1787221201, "scored_at": 1787225482, "alerts": [], "rank": 5745}, {"candidate_id": "ODC-618680", "res_at": 1787207690, "skeleton": "RQXWQKYIGXYKAT", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=S(=O)(Nc1ccccc1-c1cc2ccoc2cc1-c1cccc(-c2ccccc2)c1)c1ccccc1", "smiles_masked": null, "total": 10.278, "axes": {"activity": 6.29, "binding": 0.49, "selectivity": 0.0, "admet": 0.96, "novelty": 1.49, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.977, "fraction": 0.21}, "binding": {"pIC50": 4.66, "LE": 0.172, "potency_term": 0.042, "efficiency_cap": 0.575}, "selectivity": {"fold": 2.9, "selectivity_term": 0.23, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.676, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "3", "pAct_q10": 4.97732236591532, "aff_pf": 1.3425406614939372, "aff_hs": 1.8018902937571208, "repeats_pf": {"runs": 3, "values": [1.3395, 1.3812, 1.3069], "mean": 1.3425, "spread": 0.0743}, "repeats_hs": {"runs": 3, "values": [1.8661, 1.8459, 1.6936], "mean": 1.8019, "spread": 0.1724}, "at": 1787207690}, "tier": 1, "relegate_reason": [], "submitted_at": 1787204648, "scored_at": 1787207690, "alerts": [], "rank": 5746}, {"candidate_id": "ODC-709114", "res_at": 1786893029, "skeleton": "UVEDKVRIVXBVNZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Prompt-E score-based tradeoff rescue", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 10.237, "axes": {"activity": 6.48, "binding": 0.42, "selectivity": 0.05, "admet": 1.53, "novelty": 0.69, "synthesis": 1.06}, "detail": {"activity": {"pAct_q10": 4.989, "fraction": 0.216}, "binding": {"pIC50": 5.06, "LE": 0.315, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.116, "target_engagement": 0.021}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.783, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.801, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.368, "herg": 0.389, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.68, "novelty": 0.32}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.988841549737639, "aff_pf": 0.936617394288381, "aff_hs": 1.1693315903345745, "repeats_pf": {"runs": 3, "values": [0.9344, 0.899, 0.9764], "mean": 0.9366, "spread": 0.0774}, "repeats_hs": {"runs": 3, "values": [1.2452, 1.2699, 0.9928], "mean": 1.1693, "spread": 0.2771}, "at": 1786893029}, "tier": 1, "relegate_reason": [], "submitted_at": 1786878963, "scored_at": 1786893029, "alerts": [], "rank": 5747}, {"candidate_id": "ODC-0EB4F1", "res_at": 1788787131, "skeleton": "VKIXFMXBOWUBGZ", "hf_user": "Bio-JS", "display_name": "0907-S1-04", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 10.215, "axes": {"activity": 2.03, "binding": 4.08, "selectivity": 0.24, "admet": 1.68, "novelty": 1.18, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 4.722, "fraction": 0.068}, "binding": {"pIC50": 5.61, "LE": 0.366, "potency_term": 0.204, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.204}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.986, "ld50-zhu": 0.459, "herg": 0.56, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "0", "pAct_q10": 4.722082453623474, "aff_pf": 0.38802725076675415, "aff_hs": 0.5077318449815115, "repeats_pf": {"runs": 3, "values": [0.2986, 0.485, 0.3805], "mean": 0.388, "spread": 0.1864}, "repeats_hs": {"runs": 3, "values": [0.536, 0.4818, 0.5054], "mean": 0.5077, "spread": 0.0542}, "at": 1788787131}, "tier": 1, "alerts": [], "total_sd": 0.683, "total_ci95": [8.765, 11.619], "relegate_reason": [], "submitted_at": 1788707662, "scored_at": 1788787131, "rank": 5748}, {"candidate_id": "ODC-C3FF6C", "res_at": 1786897489, "skeleton": "XNUBSLPNANWSDW", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cnc··········1)n2C", "total": 10.203, "axes": {"activity": 0.2, "binding": 4.12, "selectivity": 1.71, "admet": 1.89, "novelty": 1.25, "synthesis": 1.03}, "detail": {"activity": {"pAct_q10": 4.612, "fraction": 0.007}, "binding": {"pIC50": 5.62, "LE": 0.321, "potency_term": 0.206, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.8, "selectivity_term": 0.416, "target_engagement": 0.206}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.67, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.798, "ld50-zhu": 0.189, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 4.612288769809998, "aff_pf": 0.38225318988164264, "aff_hs": 1.213767409324646, "repeats_pf": {"runs": 3, "values": [0.2337, 0.1867, 0.7264], "mean": 0.3823, "spread": 0.5397}, "repeats_hs": {"runs": 3, "values": [1.2276, 1.3414, 1.0724], "mean": 1.2138, "spread": 0.269}, "at": 1786897489}, "tier": 1, "relegate_reason": [], "submitted_at": 1786882865, "scored_at": 1786897489, "alerts": [], "rank": 5749}, {"candidate_id": "ODC-320EAE", "res_at": 1786881831, "skeleton": "NNIIGBLBRXFPLT", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········CCCC2", "total": 10.175, "axes": {"activity": 5.32, "binding": 1.26, "selectivity": 0.0, "admet": 1.49, "novelty": 1.3, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 5.19, "LE": 0.296, "potency_term": 0.064, "efficiency_cap": 0.988}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.064}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.771, "herg": 0.827, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 4.919294862998616, "aff_pf": 0.8082120021184286, "aff_hs": 0.7062870661417643, "repeats_pf": {"runs": 3, "values": [0.7501, 0.8002, 0.8744], "mean": 0.8082, "spread": 0.1243}, "repeats_hs": {"runs": 3, "values": [0.7388, 0.7013, 0.6788], "mean": 0.7063, "spread": 0.0601}, "at": 1786881831}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872780, "scored_at": 1786881831, "alerts": [], "rank": 5750}, {"candidate_id": "ODC-A2C3B9", "res_at": 1786935055, "skeleton": "FPYFLVJFDCQVGL", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#CCCCN··········2)CC1", "total": 10.122, "axes": {"activity": 6.09, "binding": 0.18, "selectivity": 0.0, "admet": 1.59, "novelty": 1.25, "synthesis": 1.01}, "detail": {"activity": {"pAct_q10": 4.965, "fraction": 0.203}, "binding": {"pIC50": 4.23, "LE": 0.181, "potency_term": 0.015, "efficiency_cap": 0.603}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.751, "caco2-wang": 0.384, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.322, "herg": 0.188, "dili": 0.728}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.965388028480029, "aff_pf": 1.772083004315694, "aff_hs": 1.9665568272272747, "repeats_pf": {"runs": 3, "values": [1.8573, 1.6222, 1.8367], "mean": 1.7721, "spread": 0.2351}, "repeats_hs": {"runs": 3, "values": [2.0506, 2.0958, 1.7533], "mean": 1.9666, "spread": 0.3425}, "at": 1786935055}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926658, "scored_at": 1786935055, "alerts": [], "rank": 5751}, {"candidate_id": "ODC-39FAAD", "res_at": 1786890894, "skeleton": "DWBKXRXAUGHKHI", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas Drug Agent", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC[C@@]··········cc2s1", "total": 10.098, "axes": {"activity": 5.9, "binding": 0.83, "selectivity": 0.0, "admet": 1.42, "novelty": 1.22, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.954, "fraction": 0.197}, "binding": {"pIC50": 5.13, "LE": 0.293, "potency_term": 0.043, "efficiency_cap": 0.976}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.043}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.857, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.172, "ld50-zhu": 0.29, "herg": 0.305, "dili": 0.479}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 4.954216861761366, "aff_pf": 0.8720752994219462, "aff_hs": 0.7009885311126709, "repeats_pf": {"runs": 3, "values": [0.9357, 0.8687, 0.8118], "mean": 0.8721, "spread": 0.1239}, "repeats_hs": {"runs": 3, "values": [0.7155, 0.8035, 0.584], "mean": 0.701, "spread": 0.2195}, "at": 1786890894}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877771, "scored_at": 1786890894, "alerts": [], "rank": 5752}, {"candidate_id": "ODC-F2F587", "res_at": 1787191868, "skeleton": "BJBVKBIWULPDSO", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········)CCO2", "total": 10.076, "axes": {"activity": 5.54, "binding": 0.93, "selectivity": 0.0, "admet": 1.8, "novelty": 1.19, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.932, "fraction": 0.185}, "binding": {"pIC50": 4.69, "LE": 0.306, "potency_term": 0.046, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.651, "per_endpoint": {"solubility-aqsoldb": 0.852, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.126, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "3", "pAct_q10": 4.932391886922677, "aff_pf": 1.3082131147384644, "aff_hs": 1.709626317024231, "repeats_pf": {"runs": 3, "values": [1.3488, 1.3157, 1.2601], "mean": 1.3082, "spread": 0.0886}, "repeats_hs": {"runs": 3, "values": [1.8272, 1.6774, 1.6242], "mean": 1.7096, "spread": 0.203}, "at": 1787191868}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188774, "scored_at": 1787191868, "alerts": [], "rank": 5753}, {"candidate_id": "ODC-770B3C", "res_at": 1788814115, "skeleton": "OVHPBQKPMXLDCN", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········nc2n1", "total": 10.04, "axes": {"activity": 4.97, "binding": 2.44, "selectivity": 0.0, "admet": 0.93, "novelty": 0.9, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 4.898, "fraction": 0.166}, "binding": {"pIC50": 5.39, "LE": 0.284, "potency_term": 0.129, "efficiency_cap": 0.946}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.129}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.818, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.437, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 4.898261165836219, "aff_pf": 0.6135846475760142, "aff_hs": 0.1758772681156794, "repeats_pf": {"runs": 3, "values": [0.7402, 0.4805, 0.62], "mean": 0.6136, "spread": 0.2598}, "repeats_hs": {"runs": 3, "values": [0.3165, 0.0119, 0.1992], "mean": 0.1759, "spread": 0.3046}, "at": 1788814115}, "tier": 1, "alerts": [], "total_sd": 0.383, "total_ci95": [9.464, 10.634], "relegate_reason": [], "submitted_at": 1788737999, "scored_at": 1788814115, "rank": 5754}, {"candidate_id": "ODC-283267", "res_at": 1786981773, "skeleton": "BJBYHCXJSPSDGA", "hf_user": "polarbearsong", "display_name": "ODC-R1-04-pyrazolopyridine-THP", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········)cc12", "total": 10.028, "axes": {"activity": 5.93, "binding": 0.47, "selectivity": 0.0, "admet": 1.31, "novelty": 1.33, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 4.956, "fraction": 0.198}, "binding": {"pIC50": 4.54, "LE": 0.222, "potency_term": 0.032, "efficiency_cap": 0.741}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.305, "caco2-wang": 0.691, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.204, "cyp2c9-veith": 0.076, "cyp3a4-substrate-carbonmangels": 0.41, "ld50-zhu": 0.845, "herg": 0.05, "dili": 0.497}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "2", "pAct_q10": 4.955680219952265, "aff_pf": 1.4576341311136882, "aff_hs": 0.941208024819692, "repeats_pf": {"runs": 3, "values": [1.535, 1.4092, 1.4287], "mean": 1.4576, "spread": 0.1258}, "repeats_hs": {"runs": 3, "values": [0.9639, 0.9431, 0.9166], "mean": 0.9412, "spread": 0.0473}, "at": 1786981773}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979212, "scored_at": 1786981773, "alerts": [], "rank": 5755}, {"candidate_id": "ODC-C832EB", "res_at": 1787145320, "skeleton": "YLNMWHCHWRBVHM", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 10.02, "axes": {"activity": 2.33, "binding": 3.54, "selectivity": 0.9, "admet": 1.5, "novelty": 0.87, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.74, "fraction": 0.078}, "binding": {"pIC50": 5.53, "LE": 0.361, "potency_term": 0.177, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.256, "target_engagement": 0.177}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.52, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.391, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.51, "novelty": 0.49}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 4.740003075631286, "aff_pf": 0.4696132342020671, "aff_hs": 0.9807172020276388, "repeats_pf": {"runs": 3, "values": [0.4821, 0.4125, 0.5142], "mean": 0.4696, "spread": 0.1018}, "repeats_hs": {"runs": 3, "values": [0.9875, 0.9581, 0.9966], "mean": 0.9807, "spread": 0.0385}, "at": 1787145320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143091, "scored_at": 1787145320, "alerts": [], "rank": 5756}, {"candidate_id": "ODC-0AD308", "res_at": 1786753260, "skeleton": "BCQOAMULBDKTCJ", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccc(OCC2CCOCC2)cc1", "smiles_masked": null, "total": 10.01, "axes": {"activity": 5.86, "binding": 0.69, "selectivity": 0.0, "admet": 1.27, "novelty": 1.21, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 4.951, "fraction": 0.195}, "binding": {"pIC50": 5.12, "LE": 0.26, "potency_term": 0.04, "efficiency_cap": 0.866}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.04}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.417, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.944, "cyp3a4-substrate-carbonmangels": 0.352, "ld50-zhu": 0.327, "herg": 0.05, "dili": 0.383}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "3", "pAct_q10": 4.951418074066664, "aff_pf": 0.8796834349632263, "aff_hs": 0.8126391172409058, "at": 1786753260}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786753260, "alerts": [], "rank": 5757}, {"candidate_id": "ODC-9BBE1C", "res_at": 1788814919, "skeleton": "VXLDFJAFZMJQSZ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········nc2n1", "total": 9.979, "axes": {"activity": 4.41, "binding": 3.03, "selectivity": 0.0, "admet": 0.97, "novelty": 0.83, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.865, "fraction": 0.147}, "binding": {"pIC50": 5.47, "LE": 0.288, "potency_term": 0.158, "efficiency_cap": 0.961}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.733, "cyp2c9-veith": 0.169, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 4.864538709432962, "aff_pf": 0.527175784111023, "aff_hs": 0.4354213873545329, "repeats_pf": {"runs": 3, "values": [0.4321, 0.474, 0.6754], "mean": 0.5272, "spread": 0.2433}, "repeats_hs": {"runs": 3, "values": [0.3838, 0.494, 0.4285], "mean": 0.4354, "spread": 0.1102}, "at": 1788814919}, "tier": 1, "alerts": [], "total_sd": 0.604, "total_ci95": [8.897, 11.215], "relegate_reason": [], "submitted_at": 1788738072, "scored_at": 1788814919, "rank": 5758}, {"candidate_id": "ODC-3EDE06", "res_at": 1787069200, "skeleton": "NOHDZYUAPIAYCG", "hf_user": "snsapple", "display_name": "snsapple", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 9.97, "axes": {"activity": 4.47, "binding": 2.8, "selectivity": 0.0, "admet": 0.96, "novelty": 0.99, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.868, "fraction": 0.149}, "binding": {"pIC50": 5.46, "LE": 0.277, "potency_term": 0.152, "efficiency_cap": 0.923}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.152}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.488, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.258, "cyp2c9-veith": 0.793, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.407, "herg": 0.05, "dili": 0.279}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.8681509846138145, "aff_pf": 0.5444961388905843, "aff_hs": 0.47779203454653424, "repeats_pf": {"runs": 3, "values": [0.5771, 0.5218, 0.5346], "mean": 0.5445, "spread": 0.0552}, "repeats_hs": {"runs": 3, "values": [0.4468, 0.4884, 0.4981], "mean": 0.4778, "spread": 0.0513}, "at": 1787069200}, "tier": 1, "relegate_reason": [], "submitted_at": 1787064956, "scored_at": 1787069200, "alerts": [], "rank": 5759}, {"candidate_id": "ODC-8B5405", "res_at": 1787024648, "skeleton": "NZWUTIASHKZJSH", "hf_user": "araai", "display_name": "aiara", "model_name": "Ara-β", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)CC1", "total": 9.97, "axes": {"activity": 5.69, "binding": 0.7, "selectivity": 0.0, "admet": 1.4, "novelty": 1.3, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.941, "fraction": 0.19}, "binding": {"pIC50": 5.13, "LE": 0.234, "potency_term": 0.045, "efficiency_cap": 0.782}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.948, "cyp2c9-veith": 0.483, "cyp3a4-substrate-carbonmangels": 0.904, "ld50-zhu": 0.454, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "2", "pAct_q10": 4.941431584502158, "aff_pf": 0.8658846616744995, "aff_hs": 0.7867956558863322, "repeats_pf": {"runs": 3, "values": [0.6622, 1.1058, 0.8297], "mean": 0.8659, "spread": 0.4436}, "repeats_hs": {"runs": 3, "values": [0.7344, 0.8, 0.8259], "mean": 0.7868, "spread": 0.0915}, "at": 1787024648}, "tier": 1, "relegate_reason": [], "submitted_at": 1787024109, "scored_at": 1787024648, "alerts": [], "rank": 5760}, {"candidate_id": "ODC-FFECFD", "res_at": 1786779129, "skeleton": "YIRMTLKGBKZLLZ", "hf_user": "DOATC", "display_name": "SD/KATA/DO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 9.97, "axes": {"activity": 3.52, "binding": 3.6, "selectivity": 0.0, "admet": 1.21, "novelty": 0.85, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.811, "fraction": 0.117}, "binding": {"pIC50": 5.54, "LE": 0.304, "potency_term": 0.18, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.293, "caco2-wang": 0.886, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.385, "herg": 0.17, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.525, "novelty": 0.475}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 4.810996186158776, "aff_pf": 0.46000391244888306, "aff_hs": 0.26362183690071106, "at": 1786779129}, "tier": 1, "relegate_reason": [], "submitted_at": 1786778977, "scored_at": 1786779129, "alerts": [], "rank": 5761}, {"candidate_id": "ODC-4EFB4B", "res_at": 1786845882, "skeleton": "FOPOMDQCBPXXTJ", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1OCC··········2)cn1", "total": 9.957, "axes": {"activity": 5.52, "binding": 0.72, "selectivity": 0.0, "admet": 1.46, "novelty": 1.34, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 4.931, "fraction": 0.184}, "binding": {"pIC50": 4.59, "LE": 0.299, "potency_term": 0.036, "efficiency_cap": 0.998}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.845, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.321, "herg": 0.804, "dili": 0.114}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 4.931089275801368, "aff_pf": 1.4101059834162395, "aff_hs": 0.5717771848042806, "repeats_pf": {"runs": 3, "values": [1.051, 1.6024, 1.5768], "mean": 1.4101, "spread": 0.5514}, "repeats_hs": {"runs": 3, "values": [0.6089, 0.5149, 0.5915], "mean": 0.5718, "spread": 0.094}, "at": 1786845882}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833800, "scored_at": 1786845882, "alerts": [], "rank": 5762}, {"candidate_id": "ODC-12FFA5", "res_at": 1788806550, "skeleton": "RWSWTBQIUMMAGY", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 9.952, "axes": {"activity": 1.79, "binding": 4.06, "selectivity": 0.66, "admet": 1.61, "novelty": 0.88, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 4.708, "fraction": 0.06}, "binding": {"pIC50": 5.61, "LE": 0.349, "potency_term": 0.203, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.162, "target_engagement": 0.203}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.657, "cyp3a4-substrate-carbonmangels": 0.078, "ld50-zhu": 0.453, "herg": 0.402, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.564, "novelty": 0.436}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 4.707578240053286, "aff_pf": 0.3916268249352773, "aff_hs": 0.7157156467437744, "repeats_pf": {"runs": 3, "values": [0.3764, 0.3593, 0.4392], "mean": 0.3916, "spread": 0.0799}, "repeats_hs": {"runs": 3, "values": [0.6782, 0.7041, 0.7648], "mean": 0.7157, "spread": 0.0867}, "at": 1788806550}, "tier": 1, "alerts": [], "total_sd": 0.315, "total_ci95": [9.263, 10.454], "relegate_reason": [], "submitted_at": 1788737224, "scored_at": 1788806550, "rank": 5763}, {"candidate_id": "ODC-413960", "res_at": 1789072847, "skeleton": "DHCNTCCUAPNSKY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCn1c··········)cc21", "total": 9.951, "axes": {"activity": 2.99, "binding": 3.51, "selectivity": 0.34, "admet": 1.13, "novelty": 1.16, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.779, "fraction": 0.1}, "binding": {"pIC50": 5.65, "LE": 0.242, "potency_term": 0.218, "efficiency_cap": 0.807}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.429, "per_endpoint": {"solubility-aqsoldb": 0.52, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.844, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.447, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "0", "pAct_q10": 4.779315421961223, "aff_pf": 0.34701017538706463, "aff_hs": 0.503549208243688, "repeats_pf": {"runs": 3, "values": [0.2528, 0.3293, 0.4588], "mean": 0.347, "spread": 0.206}, "repeats_hs": {"runs": 3, "values": [0.4728, 0.5384, 0.4994], "mean": 0.5035, "spread": 0.0656}, "at": 1789072847}, "tier": 1, "alerts": [], "total_sd": 0.731, "total_ci95": [8.465, 11.316], "relegate_reason": [], "submitted_at": 1789045963, "scored_at": 1789072847, "rank": 5764}, {"candidate_id": "ODC-CD2B2F", "res_at": 1787204259, "skeleton": "PJDHHIDMHVHIQM", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)cn1", "total": 9.939, "axes": {"activity": 5.36, "binding": 1.11, "selectivity": 0.0, "admet": 1.5, "novelty": 1.24, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.922, "fraction": 0.179}, "binding": {"pIC50": 4.82, "LE": 0.264, "potency_term": 0.063, "efficiency_cap": 0.88}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.645, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.903, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.489, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 4.92183161273155, "aff_pf": 1.1833966573079426, "aff_hs": 0.9794182777404785, "repeats_pf": {"runs": 3, "values": [1.1474, 1.2385, 1.1643], "mean": 1.1834, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [1.0371, 0.9456, 0.9555], "mean": 0.9794, "spread": 0.0915}, "at": 1787204259}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200797, "scored_at": 1787204259, "alerts": [], "rank": 5765}, {"candidate_id": "ODC-66348D", "res_at": 1787642169, "skeleton": "SQFMNXPZICNLKX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········)(F)F", "total": 9.937, "axes": {"activity": 4.33, "binding": 2.68, "selectivity": 0.33, "admet": 1.14, "novelty": 0.9, "synthesis": 0.56}, "detail": {"activity": {"pAct_q10": 4.86, "fraction": 0.144}, "binding": {"pIC50": 5.41, "LE": 0.296, "potency_term": 0.136, "efficiency_cap": 0.988}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.136}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.565, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.462, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.402, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.378, "novelty": 0.622}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 4.859692248692337, "aff_pf": 0.5933137834072113, "aff_hs": 0.8386522531509399, "repeats_pf": {"runs": 3, "values": [0.6167, 0.7144, 0.4488], "mean": 0.5933, "spread": 0.2656}, "repeats_hs": {"runs": 3, "values": [0.8459, 0.8792, 0.7908], "mean": 0.8387, "spread": 0.0883}, "at": 1787642169}, "tier": 1, "relegate_reason": [], "submitted_at": 1787637204, "scored_at": 1787642169, "alerts": [], "rank": 5766}, {"candidate_id": "ODC-519846", "res_at": 1787052815, "skeleton": "LTIHZELEHAIESR", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········nn2n1", "total": 9.936, "axes": {"activity": 5.99, "binding": 0.88, "selectivity": 0.08, "admet": 0.81, "novelty": 1.44, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.959, "fraction": 0.2}, "binding": {"pIC50": 5.18, "LE": 0.215, "potency_term": 0.061, "efficiency_cap": 0.717}, "selectivity": {"fold": 1.3, "selectivity_term": 0.063, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.085, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.532, "ld50-zhu": 0.446, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "3", "pAct_q10": 4.959366090982356, "aff_pf": 0.8161390026410421, "aff_hs": 0.9420482317606608, "repeats_pf": {"runs": 3, "values": [0.9135, 0.5008, 1.0341], "mean": 0.8161, "spread": 0.5333}, "repeats_hs": {"runs": 3, "values": [1.0038, 0.9567, 0.8657], "mean": 0.942, "spread": 0.1381}, "at": 1787052815}, "tier": 1, "relegate_reason": [], "submitted_at": 1787052117, "scored_at": 1787052815, "alerts": [], "rank": 5767}, {"candidate_id": "ODC-8C2C9F", "res_at": 1787080551, "skeleton": "IUICPLMJEBKFTR", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT 5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········3)nn1", "total": 9.918, "axes": {"activity": 5.31, "binding": 0.8, "selectivity": 0.0, "admet": 2.05, "novelty": 1.34, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.918, "fraction": 0.177}, "binding": {"pIC50": 4.71, "LE": 0.248, "potency_term": 0.048, "efficiency_cap": 0.827}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.773, "per_endpoint": {"solubility-aqsoldb": 0.597, "caco2-wang": 0.87, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.36, "ld50-zhu": 0.789, "herg": 0.634, "dili": 0.548}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 4.33}}, "run": {"gpu": "2", "pAct_q10": 4.918317298677849, "aff_pf": 1.2912824153900146, "aff_hs": 0.8630276322364807, "repeats_pf": {"runs": 3, "values": [1.3232, 1.3679, 1.1827], "mean": 1.2913, "spread": 0.1852}, "repeats_hs": {"runs": 3, "values": [1.0507, 0.9284, 0.61], "mean": 0.863, "spread": 0.4407}, "at": 1787080551}, "tier": 1, "relegate_reason": [], "submitted_at": 1787069468, "scored_at": 1787080551, "alerts": [], "rank": 5768}, {"candidate_id": "ODC-31F3F9", "res_at": 1788095701, "skeleton": "XKQOVMYQDKELQT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cc2n1", "total": 9.915, "axes": {"activity": 6.32, "binding": 0.13, "selectivity": 0.0, "admet": 1.31, "novelty": 1.11, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.979, "fraction": 0.211}, "binding": {"pIC50": 5.02, "LE": 0.287, "potency_term": 0.007, "efficiency_cap": 0.955}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.007}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.087, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.938, "cyp2c9-veith": 0.252, "cyp3a4-substrate-carbonmangels": 0.853, "ld50-zhu": 0.581, "herg": 0.079, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "0", "pAct_q10": 4.979012734347603, "aff_pf": 0.9797713955243429, "aff_hs": 0.8521666129430135, "repeats_pf": {"runs": 3, "values": [0.9482, 0.9421, 1.0489], "mean": 0.9798, "spread": 0.1068}, "repeats_hs": {"runs": 3, "values": [0.8148, 0.818, 0.9236], "mean": 0.8522, "spread": 0.1088}, "at": 1788095701}, "tier": 1, "alerts": [], "total_sd": 0.695, "total_ci95": [9.903, 11.622], "relegate_reason": [], "submitted_at": 1788081402, "scored_at": 1788095701, "rank": 5769}, {"candidate_id": "ODC-98E47B", "res_at": 1787573312, "skeleton": "OEIZDMFUHJUKHB", "hf_user": "Moonweave", "display_name": "M5AI-SH-S1", "model_name": "OpenAI Codex — scaffold-hop diagnostic", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········[nH]1", "total": 9.912, "axes": {"activity": 5.82, "binding": 0.74, "selectivity": 0.0, "admet": 1.44, "novelty": 0.93, "synthesis": 0.97}, "detail": {"activity": {"pAct_q10": 4.949, "fraction": 0.194}, "binding": {"pIC50": 4.64, "LE": 0.276, "potency_term": 0.04, "efficiency_cap": 0.921}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.178, "cyp3a4-substrate-carbonmangels": 0.271, "ld50-zhu": 0.3, "herg": 0.312, "dili": 0.316}}, "novelty": {"max_tanimoto": 0.52, "novelty": 0.48}, "synthesis": {"sa_score": 1.93}}, "run": {"gpu": "3", "pAct_q10": 4.949484637792753, "aff_pf": 1.3630940914154053, "aff_hs": 1.1644322474797566, "repeats_pf": {"runs": 3, "values": [1.3958, 1.439, 1.2545], "mean": 1.3631, "spread": 0.1845}, "repeats_hs": {"runs": 3, "values": [1.1506, 1.1577, 1.185], "mean": 1.1644, "spread": 0.0344}, "at": 1787573312}, "tier": 1, "relegate_reason": [], "submitted_at": 1787573121, "scored_at": 1787573312, "alerts": [], "rank": 5770}, {"candidate_id": "ODC-4EDE7E", "res_at": 1788863870, "skeleton": "CQNFHJCOTYXXOG", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-29", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cc2n1", "total": 9.896, "axes": {"activity": 5.63, "binding": 1.09, "selectivity": 0.0, "admet": 1.27, "novelty": 0.96, "synthesis": 0.94}, "detail": {"activity": {"pAct_q10": 4.938, "fraction": 0.188}, "binding": {"pIC50": 4.79, "LE": 0.274, "potency_term": 0.06, "efficiency_cap": 0.912}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.94, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.852, "ld50-zhu": 0.462, "herg": 0.21, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "0", "pAct_q10": 4.938028073267104, "aff_pf": 1.2051800886789958, "aff_hs": 1.1013778845469158, "repeats_pf": {"runs": 3, "values": [1.1525, 1.2396, 1.2235], "mean": 1.2052, "spread": 0.0871}, "repeats_hs": {"runs": 3, "values": [1.1011, 1.0805, 1.1225], "mean": 1.1014, "spread": 0.042}, "at": 1788863870}, "tier": 1, "alerts": [], "total_sd": 0.061, "total_ci95": [9.799, 9.985], "relegate_reason": [], "submitted_at": 1788856782, "scored_at": 1788863870, "rank": 5771}, {"candidate_id": "ODC-489A7B", "res_at": 1787130765, "skeleton": "GKAWWCALUSXPAK", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1COC··········C1CC1", "total": 9.881, "axes": {"activity": 2.74, "binding": 3.52, "selectivity": 0.55, "admet": 1.52, "novelty": 0.66, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.564, "fraction": 0.091}, "binding": {"pIC50": 5.53, "LE": 0.329, "potency_term": 0.176, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.156, "target_engagement": 0.176}, "admet": {"geometric_mean": 0.576, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.811, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.788, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.236, "herg": 0.696, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.623, "novelty": 0.377}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 4.563718612286609, "aff_pf": 0.47145864367485046, "aff_hs": 0.7842161655426025, "repeats_pf": {"runs": 3, "values": [0.5092, 0.5095, 0.3958], "mean": 0.4715, "spread": 0.1137}, "repeats_hs": {"runs": 3, "values": [0.8822, 0.7527, 0.7178], "mean": 0.7842, "spread": 0.1644}, "at": 1787130765}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787123020, "scored_at": 1787130765, "rank": 5772}, {"candidate_id": "ODC-E4A9D6", "res_at": 1788620220, "skeleton": "OBJXZSUDTUJRFX", "hf_user": "Lauhel", "display_name": "Mary", "model_name": "Mary 8B", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1ncc··········2C)n1", "total": 9.872, "axes": {"activity": 5.84, "binding": 0.21, "selectivity": 0.0, "admet": 1.61, "novelty": 1.24, "synthesis": 0.97}, "detail": {"activity": {"pAct_q10": 4.95, "fraction": 0.195}, "binding": {"pIC50": 5.03, "LE": 0.328, "potency_term": 0.011, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.011}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.842, "cyp2c9-veith": 0.622, "cyp3a4-substrate-carbonmangels": 0.365, "ld50-zhu": 0.401, "herg": 0.733, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "0", "pAct_q10": 4.950196314957974, "aff_pf": 0.9683587153752645, "aff_hs": 0.696277896563212, "repeats_pf": {"runs": 3, "values": [0.9683, 0.941, 0.9958], "mean": 0.9684, "spread": 0.0549}, "repeats_hs": {"runs": 3, "values": [0.7223, 0.6484, 0.7181], "mean": 0.6963, "spread": 0.0739}, "at": 1788620220}, "tier": 1, "alerts": [], "total_sd": 0.086, "total_ci95": [9.689, 10.055], "relegate_reason": [], "submitted_at": 1788617273, "scored_at": 1788620220, "rank": 5773}, {"candidate_id": "ODC-AC41B2", "res_at": 1787639091, "skeleton": "DGDNEOBYQACSSL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1nn··········3)c12", "total": 9.855, "axes": {"activity": 3.3, "binding": 3.13, "selectivity": 0.6, "admet": 1.11, "novelty": 1.08, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 4.798, "fraction": 0.11}, "binding": {"pIC50": 5.47, "LE": 0.3, "potency_term": 0.157, "efficiency_cap": 0.999}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.474, "per_endpoint": {"solubility-aqsoldb": 0.677, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.941, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.388, "herg": 0.097, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 4.7980220294660585, "aff_pf": 0.5294343332449595, "aff_hs": 0.9098924994468689, "repeats_pf": {"runs": 3, "values": [0.6416, 0.5644, 0.3823], "mean": 0.5294, "spread": 0.2594}, "repeats_hs": {"runs": 3, "values": [0.7214, 1.0317, 0.9765], "mean": 0.9099, "spread": 0.3103}, "at": 1787639091}, "tier": 1, "relegate_reason": [], "submitted_at": 1787637151, "scored_at": 1787639091, "alerts": [], "rank": 5774}, {"candidate_id": "ODC-5EC68D", "res_at": 1787246981, "skeleton": "IIWBSYPNOWMWAD", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-PYRDZ02]", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cc(··········[nH]1", "total": 9.809, "axes": {"activity": 1.24, "binding": 4.24, "selectivity": 0.0, "admet": 1.73, "novelty": 1.56, "synthesis": 1.05}, "detail": {"activity": {"pAct_q10": 4.248, "fraction": 0.041}, "binding": {"pIC50": 5.64, "LE": 0.386, "potency_term": 0.212, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.212}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 0.98, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.966, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.407, "ld50-zhu": 0.41, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 4.248135454116904, "aff_pf": 0.36448649565378827, "aff_hs": -0.4766497313976288, "repeats_pf": {"runs": 3, "values": [0.2953, 0.5949, 0.2033], "mean": 0.3645, "spread": 0.3916}, "repeats_hs": {"runs": 3, "values": [-0.5346, -0.3921, -0.5033], "mean": -0.4766, "spread": 0.1425}, "at": 1787246981}, "tier": 1, "relegate_reason": [], "submitted_at": 1787239435, "scored_at": 1787246981, "alerts": [], "rank": 5775}, {"candidate_id": "ODC-A73BBB", "res_at": 1788094718, "skeleton": "IBHYLWSOKLSNGX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········cc2s1", "total": 9.762, "axes": {"activity": 4.93, "binding": 1.86, "selectivity": 0.11, "admet": 0.89, "novelty": 1.15, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.896, "fraction": 0.164}, "binding": {"pIC50": 5.28, "LE": 0.314, "potency_term": 0.093, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.06, "target_engagement": 0.093}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.921, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.856, "ld50-zhu": 0.601, "herg": 0.095, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 4.895537541093148, "aff_pf": 0.7214296062787374, "aff_hs": 0.8417654434839884, "repeats_pf": {"runs": 3, "values": [0.7918, 0.678, 0.6944], "mean": 0.7214, "spread": 0.1138}, "repeats_hs": {"runs": 3, "values": [0.8169, 0.8123, 0.8961], "mean": 0.8418, "spread": 0.0839}, "at": 1788094718}, "tier": 1, "alerts": [], "total_sd": 0.244, "total_ci95": [9.235, 10.115], "relegate_reason": [], "submitted_at": 1788081345, "scored_at": 1788094718, "rank": 5776}, {"candidate_id": "ODC-5B1F63", "res_at": 1788498578, "skeleton": "FIDLPQGPYIEJKN", "hf_user": "dlghkdueo", "display_name": "R6-A4", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 9.751, "axes": {"activity": 5.43, "binding": 0.91, "selectivity": 0.0, "admet": 1.42, "novelty": 1.09, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 4.926, "fraction": 0.181}, "binding": {"pIC50": 5.14, "LE": 0.306, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.162, "caco2-wang": 0.922, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.725, "ld50-zhu": 0.437, "herg": 0.85, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "0", "pAct_q10": 4.926080476032875, "aff_pf": 0.8638081947962443, "aff_hs": 0.7310143907864889, "repeats_pf": {"runs": 3, "values": [0.7147, 0.814, 1.0628], "mean": 0.8638, "spread": 0.3481}, "repeats_hs": {"runs": 3, "values": [0.7853, 0.7251, 0.6826], "mean": 0.731, "spread": 0.1027}, "at": 1788498578}, "tier": 1, "alerts": [], "total_sd": 0.496, "total_ci95": [8.976, 10.745], "relegate_reason": [], "submitted_at": 1788447382, "scored_at": 1788498578, "rank": 5777}, {"candidate_id": "ODC-664AD9", "res_at": 1787374260, "skeleton": "QBAHQORIPANKEK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········F)nc1", "total": 9.748, "axes": {"activity": 4.5, "binding": 2.44, "selectivity": 0.0, "admet": 1.13, "novelty": 1.06, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.87, "fraction": 0.15}, "binding": {"pIC50": 5.37, "LE": 0.294, "potency_term": 0.124, "efficiency_cap": 0.981}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.4, "caco2-wang": 0.996, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.286, "cyp3a4-substrate-carbonmangels": 0.154, "ld50-zhu": 0.584, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 4.869921378004898, "aff_pf": 0.6269593834877014, "aff_hs": 0.44008882840474445, "repeats_pf": {"runs": 3, "values": [0.8085, 0.633, 0.4394], "mean": 0.627, "spread": 0.3691}, "repeats_hs": {"runs": 3, "values": [0.3335, 0.3884, 0.5983], "mean": 0.4401, "spread": 0.2648}, "at": 1787374260}, "tier": 1, "relegate_reason": [], "submitted_at": 1787367771, "scored_at": 1787374260, "alerts": [], "rank": 5778}, {"candidate_id": "ODC-BECD25", "res_at": 1787329767, "skeleton": "KZDMDWTWPJSEQG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 9.732, "axes": {"activity": 5.67, "binding": 1.1, "selectivity": 0.0, "admet": 1.04, "novelty": 0.98, "synthesis": 0.95}, "detail": {"activity": {"pAct_q10": 4.94, "fraction": 0.189}, "binding": {"pIC50": 4.78, "LE": 0.285, "potency_term": 0.058, "efficiency_cap": 0.949}, "selectivity": {"fold": 1.6, "selectivity_term": 0.1, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.987, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.117, "cyp2c9-veith": 0.674, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.38, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.48, "novelty": 0.52}, "synthesis": {"sa_score": 1.87}}, "run": {"gpu": "3", "pAct_q10": 4.94024668353563, "aff_pf": 1.2192798852920532, "aff_hs": 1.4193638960520427, "repeats_pf": {"runs": 3, "values": [1.2458, 1.205, 1.2071], "mean": 1.2193, "spread": 0.0408}, "repeats_hs": {"runs": 3, "values": [1.4752, 1.4515, 1.3314], "mean": 1.4194, "spread": 0.1438}, "at": 1787329767}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328855, "scored_at": 1787329767, "alerts": [], "rank": 5779}, {"candidate_id": "ODC-A2E3A8", "res_at": 1786835521, "skeleton": "NJJRWVRJDFHASM", "hf_user": "SEOBAEK", "display_name": "SEOBAEK-Skkima-Sol-BL001", "model_name": "Skkima + GPT-5.6 Sol (High)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nnc(··········c2)n1", "total": 9.724, "axes": {"activity": 5.32, "binding": 0.93, "selectivity": 0.0, "admet": 1.52, "novelty": 1.07, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 4.72, "LE": 0.281, "potency_term": 0.049, "efficiency_cap": 0.937}, "selectivity": {"fold": 2.2, "selectivity_term": 0.172, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.388, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.73, "cyp3a4-substrate-carbonmangels": 0.517, "ld50-zhu": 0.428, "herg": 0.633, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "3", "pAct_q10": 4.91922017401793, "aff_pf": 1.2820442120234172, "aff_hs": 1.6250522931416829, "repeats_pf": {"runs": 3, "values": [1.3699, 1.2629, 1.2134], "mean": 1.282, "spread": 0.1565}, "repeats_hs": {"runs": 3, "values": [1.5926, 1.6528, 1.6298], "mean": 1.6251, "spread": 0.0602}, "at": 1786835521}, "tier": 1, "relegate_reason": [], "submitted_at": 1786802510, "scored_at": 1786835521, "alerts": [], "rank": 5780}, {"candidate_id": "ODC-77B45A", "res_at": 1789905248, "skeleton": "DEICIOIFALIENV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nH]n1", "total": 9.707, "axes": {"activity": 5.54, "binding": 0.15, "selectivity": 0.0, "admet": 2.16, "novelty": 0.94, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 4.932, "fraction": 0.185}, "binding": {"pIC50": 4.1, "LE": 0.208, "potency_term": 0.01, "efficiency_cap": 0.693}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.78, "per_endpoint": {"solubility-aqsoldb": 0.712, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.599, "herg": 0.365, "dili": 0.703}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "2", "pAct_q10": 4.932467863043634, "aff_pf": 1.9019327561060588, "aff_hs": 1.7314646641413372, "repeats_pf": {"runs": 3, "values": [1.9287, 1.8725, 1.9046], "mean": 1.9019, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [1.7925, 1.6778, 1.7241], "mean": 1.7315, "spread": 0.1147}, "at": 1789905248}, "tier": 1, "alerts": [], "total_sd": 0.006, "total_ci95": [9.696, 9.719], "relegate_reason": [], "submitted_at": 1789778730, "scored_at": 1789905248, "rank": 5781}, {"candidate_id": "ODC-A3D15D", "res_at": 1787077320, "skeleton": "ACXJZEHJBRMDFZ", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1c(C(··········2)cc1", "total": 9.676, "axes": {"activity": 3.75, "binding": 2.59, "selectivity": 0.78, "admet": 1.1, "novelty": 0.9, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.825, "fraction": 0.125}, "binding": {"pIC50": 5.39, "LE": 0.308, "potency_term": 0.13, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.0, "selectivity_term": 0.302, "target_engagement": 0.13}, "admet": {"geometric_mean": 0.568, "per_endpoint": {"solubility-aqsoldb": 0.722, "caco2-wang": 0.766, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.472, "herg": 0.082, "dili": 0.731}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 4.825086357358772, "aff_pf": 0.6111913522084554, "aff_hs": 1.21540363629659, "repeats_pf": {"runs": 3, "values": [0.6009, 0.6393, 0.5933], "mean": 0.6112, "spread": 0.046}, "repeats_hs": {"runs": 3, "values": [1.2601, 1.142, 1.2442], "mean": 1.2154, "spread": 0.118}, "at": 1787077320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066294, "scored_at": 1787077320, "alerts": [], "rank": 5782}, {"candidate_id": "ODC-C1F22D", "res_at": 1789913765, "skeleton": "NVLVXLXOKHLIKZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc(··········)(F)F", "total": 9.648, "axes": {"activity": 4.75, "binding": 1.1, "selectivity": 0.41, "admet": 1.57, "novelty": 1.02, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.885, "fraction": 0.158}, "binding": {"pIC50": 5.17, "LE": 0.354, "potency_term": 0.055, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.055}, "admet": {"geometric_mean": 0.662, "per_endpoint": {"solubility-aqsoldb": 0.557, "caco2-wang": 0.933, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.772, "ld50-zhu": 0.445, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "0", "pAct_q10": 4.885227447939419, "aff_pf": 0.8349512418111166, "aff_hs": 1.5741257667541504, "repeats_pf": {"runs": 3, "values": [0.7571, 0.888, 0.8598], "mean": 0.835, "spread": 0.1309}, "repeats_hs": {"runs": 3, "values": [1.6302, 1.4746, 1.6176], "mean": 1.5741, "spread": 0.1556}, "at": 1789913765}, "tier": 1, "alerts": [], "total_sd": 0.308, "total_ci95": [9.163, 10.38], "relegate_reason": [], "submitted_at": 1789689560, "scored_at": 1789913765, "rank": 5783}, {"candidate_id": "ODC-7D30D0", "res_at": 1786844519, "skeleton": "VJMOJCJUAACTML", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········1CCC1", "total": 9.631, "axes": {"activity": 3.99, "binding": 2.8, "selectivity": 0.0, "admet": 1.23, "novelty": 0.95, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.84, "fraction": 0.133}, "binding": {"pIC50": 5.42, "LE": 0.371, "potency_term": 0.14, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.14}, "admet": {"geometric_mean": 0.584, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.543, "ld50-zhu": 0.319, "herg": 0.897, "dili": 0.168}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 4.839502108704951, "aff_pf": 0.5801436503728231, "aff_hs": 0.5443795323371887, "repeats_pf": {"runs": 3, "values": [0.5457, 0.5914, 0.6034], "mean": 0.5801, "spread": 0.0577}, "repeats_hs": {"runs": 3, "values": [0.5839, 0.5568, 0.4925], "mean": 0.5444, "spread": 0.0914}, "at": 1786844519}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833830, "scored_at": 1786844519, "alerts": [], "rank": 5784}, {"candidate_id": "ODC-0A1F89", "res_at": 1786841904, "skeleton": "HXQNZESBWMUZOA", "hf_user": "kevin8738", "display_name": "이정민/울산대학교/알리", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········1)=C2", "total": 9.616, "axes": {"activity": 5.56, "binding": 0.53, "selectivity": 0.04, "admet": 1.52, "novelty": 1.27, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.934, "fraction": 0.185}, "binding": {"pIC50": 5.08, "LE": 0.387, "potency_term": 0.026, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.074, "target_engagement": 0.026}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.408, "caco2-wang": 0.882, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.456, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 4.9338796581396895, "aff_pf": 0.9210580786069235, "aff_hs": 1.0699305136998494, "repeats_pf": {"runs": 3, "values": [0.89, 0.9148, 0.9583], "mean": 0.9211, "spread": 0.0683}, "repeats_hs": {"runs": 3, "values": [1.0418, 1.0919, 1.0761], "mean": 1.0699, "spread": 0.0501}, "at": 1786841904}, "tier": 1, "relegate_reason": [], "submitted_at": 1786807450, "scored_at": 1786841904, "alerts": [], "rank": 5785}, {"candidate_id": "ODC-4D10C1", "res_at": 1787022016, "skeleton": "ICZDFKWGRKIKNL", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 9.601, "axes": {"activity": 5.11, "binding": 1.2, "selectivity": 0.0, "admet": 1.46, "novelty": 1.08, "synthesis": 0.75}, "detail": {"activity": {"pAct_q10": 4.907, "fraction": 0.17}, "binding": {"pIC50": 4.86, "LE": 0.256, "potency_term": 0.07, "efficiency_cap": 0.854}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.585, "cyp3a4-substrate-carbonmangels": 0.273, "ld50-zhu": 0.6, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 4.906608344835524, "aff_pf": 1.1404496033986409, "aff_hs": 0.7158719301223755, "repeats_pf": {"runs": 3, "values": [1.1955, 1.0962, 1.1296], "mean": 1.1404, "spread": 0.0993}, "repeats_hs": {"runs": 3, "values": [0.7274, 0.7128, 0.7074], "mean": 0.7159, "spread": 0.02}, "at": 1787022016}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021319, "scored_at": 1787022016, "alerts": [], "rank": 5786}, {"candidate_id": "ODC-9B2B7F", "res_at": 1787146810, "skeleton": "VSTCSHHOVDCQDK", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cc1", "total": 9.577, "axes": {"activity": 1.09, "binding": 3.84, "selectivity": 0.86, "admet": 1.75, "novelty": 1.07, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.665, "fraction": 0.036}, "binding": {"pIC50": 5.58, "LE": 0.382, "potency_term": 0.192, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.192}, "admet": {"geometric_mean": 0.609, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.999, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.511, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.522, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 4.665171421948859, "aff_pf": 0.4238091707229614, "aff_hs": 0.874014675617218, "repeats_pf": {"runs": 3, "values": [0.5001, 0.448, 0.3233], "mean": 0.4238, "spread": 0.1768}, "repeats_hs": {"runs": 3, "values": [0.9137, 0.9359, 0.7724], "mean": 0.874, "spread": 0.1635}, "at": 1787146810}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143277, "scored_at": 1787146810, "alerts": [], "rank": 5787}, {"candidate_id": "ODC-A3C312", "res_at": 1786883844, "skeleton": "QTVCZCRZWSTFED", "hf_user": "JANE77-7", "display_name": "J-K", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 9.543, "axes": {"activity": 5.63, "binding": 0.61, "selectivity": 0.0, "admet": 1.54, "novelty": 0.87, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.938, "fraction": 0.188}, "binding": {"pIC50": 4.55, "LE": 0.283, "potency_term": 0.032, "efficiency_cap": 0.944}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.546, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.83, "cyp3a4-substrate-carbonmangels": 0.097, "ld50-zhu": 0.537, "herg": 0.798, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 4.937941366798015, "aff_pf": 1.4513669808705647, "aff_hs": 1.281526764233907, "repeats_pf": {"runs": 3, "values": [1.4202, 1.5663, 1.3676], "mean": 1.4514, "spread": 0.1987}, "repeats_hs": {"runs": 3, "values": [1.3235, 1.235, 1.2861], "mean": 1.2815, "spread": 0.0884}, "at": 1786883844}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874631, "scored_at": 1786883844, "alerts": [], "rank": 5788}, {"candidate_id": "ODC-A86B97", "res_at": 1786846148, "skeleton": "UKZKXCYLXWYQMJ", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········1CCC1", "total": 9.541, "axes": {"activity": 4.97, "binding": 1.09, "selectivity": 0.09, "admet": 1.44, "novelty": 1.13, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.898, "fraction": 0.166}, "binding": {"pIC50": 5.16, "LE": 0.322, "potency_term": 0.054, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.054}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.65, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.815, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.461, "ld50-zhu": 0.683, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 4.89835089926336, "aff_pf": 0.8368522127469381, "aff_hs": 0.9931946396827698, "repeats_pf": {"runs": 3, "values": [0.9545, 0.8121, 0.7439], "mean": 0.8369, "spread": 0.2106}, "repeats_hs": {"runs": 3, "values": [0.8923, 1.0526, 1.0346], "mean": 0.9932, "spread": 0.1603}, "at": 1786846148}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833820, "scored_at": 1786846148, "alerts": [], "rank": 5789}, {"candidate_id": "ODC-888725", "res_at": 1787576006, "skeleton": "STVVNAJPDVNBEY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)nn12", "total": 9.53, "axes": {"activity": 5.08, "binding": 1.67, "selectivity": 0.0, "admet": 1.19, "novelty": 0.82, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.905, "fraction": 0.169}, "binding": {"pIC50": 4.97, "LE": 0.272, "potency_term": 0.092, "efficiency_cap": 0.907}, "selectivity": {"fold": 1.3, "selectivity_term": 0.063, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.338, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.521, "herg": 0.577, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 4.904604200934821, "aff_pf": 1.0340654651323955, "aff_hs": 1.160549561182658, "repeats_pf": {"runs": 3, "values": [1.1416, 0.9742, 0.9863], "mean": 1.0341, "spread": 0.1674}, "repeats_hs": {"runs": 3, "values": [1.1771, 1.2038, 1.1008], "mean": 1.1605, "spread": 0.103}, "at": 1787576006}, "tier": 1, "relegate_reason": [], "submitted_at": 1787575026, "scored_at": 1787576006, "alerts": [], "rank": 5790}, {"candidate_id": "ODC-9D318F", "res_at": 1786941536, "skeleton": "JVNCPRHQBKLCIY", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccn··········nc2c1", "total": 9.517, "axes": {"activity": 4.91, "binding": 1.46, "selectivity": 0.0, "admet": 1.25, "novelty": 1.18, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.894, "fraction": 0.164}, "binding": {"pIC50": 4.93, "LE": 0.26, "potency_term": 0.084, "efficiency_cap": 0.866}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.23, "caco2-wang": 0.985, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.416, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.677, "dili": 0.12}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 4.894322910572526, "aff_pf": 1.0693009694417317, "aff_hs": 0.6397956808408102, "repeats_pf": {"runs": 3, "values": [1.036, 1.0741, 1.0978], "mean": 1.0693, "spread": 0.0619}, "repeats_hs": {"runs": 3, "values": [0.6694, 0.6316, 0.6185], "mean": 0.6398, "spread": 0.0509}, "at": 1786941536}, "tier": 1, "relegate_reason": [], "submitted_at": 1786933344, "scored_at": 1786941536, "alerts": [], "rank": 5791}, {"candidate_id": "ODC-D1D47F", "res_at": 1787075550, "skeleton": "QOQSFEBZIXFMKT", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COC1CN(··········2N)C1", "total": 9.512, "axes": {"activity": 5.33, "binding": 0.36, "selectivity": 0.09, "admet": 1.71, "novelty": 1.14, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.92, "fraction": 0.178}, "binding": {"pIC50": 5.06, "LE": 0.289, "potency_term": 0.019, "efficiency_cap": 0.962}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.644, "per_endpoint": {"solubility-aqsoldb": 0.735, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.642, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.443, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.919516276597898, "aff_pf": 0.9431671897570292, "aff_hs": 1.394145091374715, "repeats_pf": {"runs": 3, "values": [1.0253, 0.9486, 0.8555], "mean": 0.9432, "spread": 0.1698}, "repeats_hs": {"runs": 3, "values": [1.4333, 1.4117, 1.3374], "mean": 1.3941, "spread": 0.0959}, "at": 1787075550}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066207, "scored_at": 1787075550, "alerts": [], "rank": 5792}, {"candidate_id": "ODC-A41EF3", "res_at": 1789338014, "skeleton": "GNPJMXUSVLEQMA", "hf_user": "trblnfxn", "display_name": "NOVEL-PhthalazineCarbox", "model_name": "Hermes-Novel-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 9.506, "axes": {"activity": 3.23, "binding": 2.76, "selectivity": 0.92, "admet": 1.08, "novelty": 0.82, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.794, "fraction": 0.108}, "binding": {"pIC50": 5.41, "LE": 0.309, "potency_term": 0.138, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.6, "selectivity_term": 0.333, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.994, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.847, "ld50-zhu": 0.454, "herg": 0.788, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "0", "pAct_q10": 4.793681008405486, "aff_pf": 0.5854893525441488, "aff_hs": 1.2512171268463135, "repeats_pf": {"runs": 3, "values": [0.5579, 0.6431, 0.5555], "mean": 0.5855, "spread": 0.0875}, "repeats_hs": {"runs": 3, "values": [1.2028, 1.3611, 1.1897], "mean": 1.2512, "spread": 0.1713}, "at": 1789338014}, "tier": 1, "alerts": [], "total_sd": 0.368, "total_ci95": [8.628, 10.076], "relegate_reason": [], "submitted_at": 1789328213, "scored_at": 1789338014, "rank": 5793}, {"candidate_id": "ODC-FC0458", "res_at": 1787919411, "skeleton": "MMMOGQYOXABDRW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 9.502, "axes": {"activity": 5.54, "binding": 0.63, "selectivity": 0.0, "admet": 1.24, "novelty": 1.26, "synthesis": 0.84}, "detail": {"activity": {"pAct_q10": 4.932, "fraction": 0.185}, "binding": {"pIC50": 4.7, "LE": 0.201, "potency_term": 0.047, "efficiency_cap": 0.67}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.754, "caco2-wang": 0.537, "hia-hou": 1.0, "bioavailability-ma": 0.174, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.955, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.607, "herg": 0.089, "dili": 0.714}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 4.932396999907984, "aff_pf": 1.3043675820032756, "aff_hs": 0.8371986945470175, "repeats_pf": {"runs": 3, "values": [1.4059, 1.0993, 1.4079], "mean": 1.3044, "spread": 0.3086}, "repeats_hs": {"runs": 3, "values": [0.8118, 0.8468, 0.853], "mean": 0.8372, "spread": 0.0412}, "at": 1787919411}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898882, "scored_at": 1787919411, "alerts": [], "rank": 5794}, {"candidate_id": "ODC-A1CC32", "res_at": 1786845671, "skeleton": "MQCPKXASNXQGDP", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "350-400", "visibility": "public", "smiles": "Cc1nc(Nc2ccc(Br)c(F)c2)c2cc(C(C)(F)F)n(C)c2n1", "smiles_masked": null, "total": 9.497, "axes": {"activity": 5.22, "binding": 1.17, "selectivity": 0.0, "admet": 1.19, "novelty": 1.12, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 4.913, "fraction": 0.174}, "binding": {"pIC50": 5.18, "LE": 0.296, "potency_term": 0.059, "efficiency_cap": 0.985}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.059}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.354, "ld50-zhu": 0.533, "herg": 0.356, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 4.912929521840751, "aff_pf": 0.8219273090362549, "aff_hs": 0.6577605207761129, "repeats_pf": {"runs": 3, "values": [0.7952, 0.8644, 0.8061], "mean": 0.8219, "spread": 0.0692}, "repeats_hs": {"runs": 3, "values": [0.7333, 0.5338, 0.7062], "mean": 0.6578, "spread": 0.1995}, "at": 1786845671}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833067, "scored_at": 1786845671, "alerts": [], "rank": 5795}, {"candidate_id": "ODC-8B2693", "res_at": 1787588845, "skeleton": "KNRAKYDNJBSZCH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)s1", "total": 9.491, "axes": {"activity": 5.62, "binding": 0.4, "selectivity": 0.0, "admet": 1.32, "novelty": 1.42, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.937, "fraction": 0.187}, "binding": {"pIC50": 5.06, "LE": 0.315, "potency_term": 0.02, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.02}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.736, "cyp2c9-veith": 0.362, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.909}}, "novelty": {"max_tanimoto": 0.243, "novelty": 0.757}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 4.936922524163468, "aff_pf": 0.94002632300059, "aff_hs": 0.35340061287085217, "repeats_pf": {"runs": 3, "values": [0.943, 0.944, 0.9331], "mean": 0.94, "spread": 0.0109}, "repeats_hs": {"runs": 3, "values": [0.2336, 0.4277, 0.3989], "mean": 0.3534, "spread": 0.1941}, "at": 1787588845}, "tier": 1, "relegate_reason": [], "submitted_at": 1787587754, "scored_at": 1787588845, "alerts": [], "rank": 5796}, {"candidate_id": "ODC-DAF1E1", "res_at": 1786822225, "skeleton": "LTAUPOUMWAFZKS", "hf_user": "JIYEONKO", "display_name": "JIYEON KIM_KO", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc2··········cnn12", "total": 9.474, "axes": {"activity": 4.15, "binding": 2.47, "selectivity": 0.0, "admet": 1.2, "novelty": 0.98, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.849, "fraction": 0.138}, "binding": {"pIC50": 5.37, "LE": 0.32, "potency_term": 0.123, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.123}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.904, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.524, "cyp3a4-substrate-carbonmangels": 0.287, "ld50-zhu": 0.538, "herg": 0.764, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 4.8490758491568835, "aff_pf": 0.6298439900080363, "aff_hs": 0.31744542717933655, "repeats_pf": {"runs": 3, "values": [0.6357, 0.7357, 0.5181], "mean": 0.6298, "spread": 0.2175}, "repeats_hs": {"runs": 3, "values": [0.3986, 0.2989, 0.2548], "mean": 0.3174, "spread": 0.1438}, "at": 1786822225}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789912, "scored_at": 1786822225, "alerts": [], "rank": 5797}, {"candidate_id": "ODC-752753", "res_at": 1786845111, "skeleton": "WOQMKTVVQJOGTO", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "Cn1c(C(F)(F)F)nc2c(Nc3ccc(Br)c(F)c3)nc(N)nc21", "smiles_masked": null, "total": 9.418, "axes": {"activity": 4.47, "binding": 1.92, "selectivity": 0.09, "admet": 1.21, "novelty": 1.04, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.868, "fraction": 0.149}, "binding": {"pIC50": 5.29, "LE": 0.302, "potency_term": 0.096, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.096}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.27, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.492, "herg": 0.305, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 4.86800207494223, "aff_pf": 0.7117974360783895, "aff_hs": 0.8048036098480225, "repeats_pf": {"runs": 3, "values": [0.8082, 0.4589, 0.8683], "mean": 0.7118, "spread": 0.4093}, "repeats_hs": {"runs": 3, "values": [0.6837, 0.9888, 0.7419], "mean": 0.8048, "spread": 0.3051}, "at": 1786845111}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833019, "scored_at": 1786845111, "alerts": [], "rank": 5798}, {"candidate_id": "ODC-6C9FBE", "res_at": 1787063651, "skeleton": "WDNPGFXWLKQVGH", "hf_user": "Nicolas-007", "display_name": "Loka", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Clc1ccc··········cc2c1", "total": 9.415, "axes": {"activity": 4.7, "binding": 1.37, "selectivity": 0.21, "admet": 1.55, "novelty": 0.91, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.882, "fraction": 0.157}, "binding": {"pIC50": 5.21, "LE": 0.34, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.156, "target_engagement": 0.069}, "admet": {"geometric_mean": 0.662, "per_endpoint": {"solubility-aqsoldb": 0.7, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.455, "ld50-zhu": 0.477, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 4.88172522034765, "aff_pf": 0.7941728830337524, "aff_hs": 1.1056536833445232, "repeats_pf": {"runs": 3, "values": [0.7533, 0.7279, 0.9013], "mean": 0.7942, "spread": 0.1735}, "repeats_hs": {"runs": 3, "values": [1.1867, 1.1142, 1.016], "mean": 1.1057, "spread": 0.1707}, "at": 1787063651}, "tier": 1, "relegate_reason": [], "submitted_at": 1787063189, "scored_at": 1787063651, "alerts": [], "rank": 5799}, {"candidate_id": "ODC-7A7311", "res_at": 1787055848, "skeleton": "NFOAGIFXOAYGLE", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········)F)C2", "total": 9.385, "axes": {"activity": 4.04, "binding": 2.35, "selectivity": 0.44, "admet": 1.28, "novelty": 0.96, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.842, "fraction": 0.135}, "binding": {"pIC50": 5.35, "LE": 0.333, "potency_term": 0.117, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.186, "target_engagement": 0.117}, "admet": {"geometric_mean": 0.633, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.976, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.567, "herg": 0.75, "dili": 0.459}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 4.33}}, "run": {"gpu": "2", "pAct_q10": 4.842251813271152, "aff_pf": 0.6476356784502665, "aff_hs": 1.0192336638768513, "repeats_pf": {"runs": 3, "values": [0.5888, 0.6728, 0.6813], "mean": 0.6476, "spread": 0.0925}, "repeats_hs": {"runs": 3, "values": [0.9337, 1.0146, 1.1095], "mean": 1.0192, "spread": 0.1758}, "at": 1787055848}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055593, "scored_at": 1787055848, "alerts": [], "rank": 5800}, {"candidate_id": "ODC-EFAC39", "res_at": 1786841170, "skeleton": "SARBXLKFSDWWMO", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cc1", "total": 9.38, "axes": {"activity": 5.94, "binding": 0.06, "selectivity": 0.0, "admet": 1.19, "novelty": 1.21, "synthesis": 0.99}, "detail": {"activity": {"pAct_q10": 4.956, "fraction": 0.198}, "binding": {"pIC50": 5.01, "LE": 0.312, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.003}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.664, "cyp2c9-veith": 0.451, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.466, "herg": 0.311, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 1.96}}, "run": {"gpu": "3", "pAct_q10": 4.956157113401329, "aff_pf": 0.9910960992177328, "aff_hs": 0.7744348247845968, "repeats_pf": {"runs": 3, "values": [0.879, 1.0471, 1.0473], "mean": 0.9911, "spread": 0.1683}, "repeats_hs": {"runs": 3, "values": [0.7704, 0.7606, 0.7923], "mean": 0.7744, "spread": 0.0318}, "at": 1786841170}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806824, "scored_at": 1786841170, "alerts": [], "rank": 5801}, {"candidate_id": "ODC-F1F680", "res_at": 1789332311, "skeleton": "MCFRIKDRPZPGRY", "hf_user": "trblnfxn", "display_name": "NC-ANIL9-12_OxetEthO", "model_name": "Hermes-C7PolarMass-v9", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········1F)N3", "total": 9.361, "axes": {"activity": 4.47, "binding": 2.09, "selectivity": 0.48, "admet": 1.13, "novelty": 1.14, "synthesis": 0.06}, "detail": {"activity": {"pAct_q10": 4.868, "fraction": 0.149}, "binding": {"pIC50": 5.32, "LE": 0.292, "potency_term": 0.107, "efficiency_cap": 0.972}, "selectivity": {"fold": 2.8, "selectivity_term": 0.224, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.455, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.969, "cyp2c9-veith": 0.235, "cyp3a4-substrate-carbonmangels": 0.312, "ld50-zhu": 0.544, "herg": 0.174, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.236, "novelty": 0.764}, "synthesis": {"sa_score": 5.73}}, "run": {"gpu": "0", "pAct_q10": 4.8679153866875025, "aff_pf": 0.6779690782229105, "aff_hs": 1.1264984607696533, "repeats_pf": {"runs": 3, "values": [0.6219, 0.7825, 0.6295], "mean": 0.678, "spread": 0.1605}, "repeats_hs": {"runs": 3, "values": [1.2439, 1.0143, 1.1213], "mean": 1.1265, "spread": 0.2296}, "at": 1789332311}, "tier": 1, "alerts": [], "total_sd": 0.394, "total_ci95": [8.48, 9.95], "relegate_reason": [], "submitted_at": 1789322862, "scored_at": 1789332311, "rank": 5802}, {"candidate_id": "ODC-D1D622", "res_at": 1786852230, "skeleton": "YXOBDLRUWOEKPW", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 9.359, "axes": {"activity": 5.62, "binding": 0.65, "selectivity": 0.01, "admet": 1.16, "novelty": 1.1, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.937, "fraction": 0.187}, "binding": {"pIC50": 5.1, "LE": 0.304, "potency_term": 0.033, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.442, "herg": 0.482, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.937066111588286, "aff_pf": 0.9024424155553182, "aff_hs": 0.9400275548299154, "repeats_pf": {"runs": 3, "values": [0.8554, 1.0016, 0.8504], "mean": 0.9024, "spread": 0.1512}, "repeats_hs": {"runs": 3, "values": [0.9004, 0.9574, 0.9623], "mean": 0.94, "spread": 0.062}, "at": 1786852230}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847524, "scored_at": 1786852230, "alerts": [], "rank": 5803}, {"candidate_id": "ODC-961C2A", "res_at": 1788787751, "skeleton": "SAMSRGGUMNMFFW", "hf_user": "Bio-JS", "display_name": "0907-S1-05", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········Cl)c1", "total": 9.335, "axes": {"activity": 1.86, "binding": 3.65, "selectivity": 0.21, "admet": 1.57, "novelty": 1.13, "synthesis": 0.91}, "detail": {"activity": {"pAct_q10": 4.408, "fraction": 0.062}, "binding": {"pIC50": 5.55, "LE": 0.33, "potency_term": 0.183, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.056, "target_engagement": 0.183}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.957, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.172, "cyp3a4-substrate-carbonmangels": 0.887, "ld50-zhu": 0.723, "herg": 0.807, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 4.408417513024718, "aff_pf": 0.45188361406326294, "aff_hs": 0.5641083717346191, "repeats_pf": {"runs": 3, "values": [0.4619, 0.4014, 0.4924], "mean": 0.4519, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [0.6175, 0.4535, 0.6213], "mean": 0.5641, "spread": 0.1678}, "at": 1788787751}, "tier": 1, "alerts": [], "total_sd": 0.317, "total_ci95": [8.774, 10.015], "relegate_reason": [], "submitted_at": 1788707668, "scored_at": 1788787751, "rank": 5804}, {"candidate_id": "ODC-23A5A0", "res_at": 1786876923, "skeleton": "HEDFCQVMDTUKEZ", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 9.321, "axes": {"activity": 0.7, "binding": 3.84, "selectivity": 1.32, "admet": 1.7, "novelty": 1.02, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.642, "fraction": 0.023}, "binding": {"pIC50": 5.58, "LE": 0.318, "potency_term": 0.192, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.345, "target_engagement": 0.192}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.687, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.667, "cyp3a4-substrate-carbonmangels": 0.569, "ld50-zhu": 0.627, "herg": 0.12, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "2", "pAct_q10": 4.64206612493676, "aff_pf": 0.4235851963361104, "aff_hs": 1.112836440404256, "repeats_pf": {"runs": 3, "values": [0.5538, 0.3784, 0.3386], "mean": 0.4236, "spread": 0.2152}, "repeats_hs": {"runs": 3, "values": [1.076, 1.1194, 1.1431], "mean": 1.1128, "spread": 0.0671}, "at": 1786876923}, "tier": 1, "relegate_reason": [], "submitted_at": 1786870100, "scored_at": 1786876923, "alerts": [], "rank": 5805}, {"candidate_id": "ODC-1FA5EA", "res_at": 1788080156, "skeleton": "CWZOPGWSCCLWIL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········CO)n1", "total": 9.285, "axes": {"activity": 4.71, "binding": 1.52, "selectivity": 0.0, "admet": 1.41, "novelty": 0.93, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.883, "fraction": 0.157}, "binding": {"pIC50": 4.92, "LE": 0.281, "potency_term": 0.081, "efficiency_cap": 0.936}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.761, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.793, "cyp3a4-substrate-carbonmangels": 0.807, "ld50-zhu": 0.275, "herg": 0.153, "dili": 0.335}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "0", "pAct_q10": 4.882867213027076, "aff_pf": 1.0828745762507122, "aff_hs": 0.732907215754191, "repeats_pf": {"runs": 3, "values": [0.9501, 1.0514, 1.2471], "mean": 1.0829, "spread": 0.297}, "repeats_hs": {"runs": 3, "values": [0.7042, 0.7252, 0.7693], "mean": 0.7329, "spread": 0.0651}, "at": 1788080156}, "tier": 1, "alerts": [], "total_sd": 0.492, "total_ci95": [7.866, 9.578], "relegate_reason": [], "submitted_at": 1788058544, "scored_at": 1788080156, "rank": 5806}, {"candidate_id": "ODC-E0178F", "res_at": 1786989375, "skeleton": "IRWLTHDOQGUAKN", "hf_user": "polarbearsong", "display_name": "ODC-R2-05-pyrrole-carboxamide", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1[nH]··········F)nc1", "total": 9.284, "axes": {"activity": 1.83, "binding": 3.46, "selectivity": 0.74, "admet": 1.65, "novelty": 0.86, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.71, "fraction": 0.061}, "binding": {"pIC50": 5.52, "LE": 0.329, "potency_term": 0.173, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.213, "target_engagement": 0.173}, "admet": {"geometric_mean": 0.638, "per_endpoint": {"solubility-aqsoldb": 0.513, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.58, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.299, "herg": 1.0, "dili": 0.24}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 4.709693120877392, "aff_pf": 0.48150352636973065, "aff_hs": 0.9084371328353882, "repeats_pf": {"runs": 3, "values": [0.3364, 0.5872, 0.5209], "mean": 0.4815, "spread": 0.2507}, "repeats_hs": {"runs": 3, "values": [0.8933, 1.0707, 0.7614], "mean": 0.9084, "spread": 0.3093}, "at": 1786989375}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984668, "scored_at": 1786989375, "alerts": [], "rank": 5807}, {"candidate_id": "ODC-DE5E6A", "res_at": 1788137846, "skeleton": "IZBYDDBRRPHGNI", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — recursive champion [S1-SYNC-06]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(-c··········F)cc1", "total": 9.255, "axes": {"activity": 4.9, "binding": 1.43, "selectivity": 0.0, "admet": 1.02, "novelty": 1.09, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.894, "fraction": 0.163}, "binding": {"pIC50": 5.23, "LE": 0.286, "potency_term": 0.075, "efficiency_cap": 0.955}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.075}, "admet": {"geometric_mean": 0.416, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.937, "cyp2c9-veith": 0.669, "cyp3a4-substrate-carbonmangels": 0.152, "ld50-zhu": 0.327, "herg": 0.112, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 4.893838757126599, "aff_pf": 0.7745294769605001, "aff_hs": 0.35318706432978314, "repeats_pf": {"runs": 3, "values": [0.6872, 0.7721, 0.8643], "mean": 0.7745, "spread": 0.1771}, "repeats_hs": {"runs": 3, "values": [0.2844, 0.4403, 0.3348], "mean": 0.3532, "spread": 0.1558}, "at": 1788137846}, "tier": 1, "alerts": [], "total_sd": 0.279, "total_ci95": [8.669, 9.844], "relegate_reason": [], "submitted_at": 1788137292, "scored_at": 1788137846, "rank": 5808}, {"candidate_id": "ODC-04F8E7", "res_at": 1788974452, "skeleton": "FUBXUMZDHJQPEA", "hf_user": "trblnfxn", "display_name": "NC-TZP-04", "model_name": "Hermes-TZP-Core-v2", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC1CC1C··········cnn12", "total": 9.252, "axes": {"activity": 4.91, "binding": 1.59, "selectivity": 0.3, "admet": 1.05, "novelty": 0.86, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.895, "fraction": 0.164}, "binding": {"pIC50": 5.3, "LE": 0.242, "potency_term": 0.098, "efficiency_cap": 0.806}, "selectivity": {"fold": 2.0, "selectivity_term": 0.152, "target_engagement": 0.098}, "admet": {"geometric_mean": 0.428, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.165, "cyp3a4-substrate-carbonmangels": 0.664, "ld50-zhu": 0.562, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.477, "novelty": 0.523}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "0", "pAct_q10": 4.8948068677925365, "aff_pf": 0.7048784693082174, "aff_hs": 1.007882793744405, "repeats_pf": {"runs": 3, "values": [0.5387, 0.7932, 0.7827], "mean": 0.7049, "spread": 0.2545}, "repeats_hs": {"runs": 3, "values": [0.8572, 1.0476, 1.1188], "mean": 1.0079, "spread": 0.2616}, "at": 1788974452}, "tier": 1, "alerts": [], "total_sd": 0.532, "total_ci95": [8.588, 10.548], "relegate_reason": [], "submitted_at": 1788969098, "scored_at": 1788974452, "rank": 5809}, {"candidate_id": "ODC-D6E1C9", "res_at": 1786846881, "skeleton": "VZMVWNOJRXNNTG", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)o1", "total": 9.241, "axes": {"activity": 2.96, "binding": 3.25, "selectivity": 0.0, "admet": 1.28, "novelty": 1.08, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.594, "fraction": 0.099}, "binding": {"pIC50": 5.49, "LE": 0.327, "potency_term": 0.163, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.523, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.81, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.872, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.718, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "1", "pAct_q10": 4.594357521989952, "aff_pf": 0.5118797024091085, "aff_hs": -0.2608865996201833, "repeats_pf": {"runs": 3, "values": [0.5326, 0.5092, 0.4939], "mean": 0.5119, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [-0.1335, -0.3454, -0.3038], "mean": -0.2609, "spread": 0.2118}, "at": 1786846881}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845824, "scored_at": 1786846881, "alerts": [], "rank": 5810}, {"candidate_id": "ODC-30278F", "res_at": 1786977643, "skeleton": "AJYPKQFBFURVTI", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 9.227, "axes": {"activity": 3.61, "binding": 2.79, "selectivity": 0.0, "admet": 1.26, "novelty": 0.87, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.817, "fraction": 0.12}, "binding": {"pIC50": 5.42, "LE": 0.337, "potency_term": 0.139, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.139}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.789, "cyp3a4-substrate-carbonmangels": 0.855, "ld50-zhu": 0.467, "herg": 0.554, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "2", "pAct_q10": 4.816819283850989, "aff_pf": 0.5818899671236674, "aff_hs": 0.549707293510437, "repeats_pf": {"runs": 3, "values": [0.5984, 0.5973, 0.5499], "mean": 0.5819, "spread": 0.0485}, "repeats_hs": {"runs": 3, "values": [0.5676, 0.5271, 0.5544], "mean": 0.5497, "spread": 0.0405}, "at": 1786977643}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975869, "scored_at": 1786977643, "alerts": [], "rank": 5811}, {"candidate_id": "ODC-50F56A", "res_at": 1788630227, "skeleton": "IPMHNYANBXYJFO", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 9.224, "axes": {"activity": 5.33, "binding": 0.83, "selectivity": 0.17, "admet": 1.0, "novelty": 1.01, "synthesis": 0.89}, "detail": {"activity": {"pAct_q10": 4.92, "fraction": 0.178}, "binding": {"pIC50": 5.14, "LE": 0.271, "potency_term": 0.046, "efficiency_cap": 0.902}, "selectivity": {"fold": 2.4, "selectivity_term": 0.187, "target_engagement": 0.046}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.126, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.718, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.659, "ld50-zhu": 0.63, "herg": 0.082, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "0", "pAct_q10": 4.919624923277781, "aff_pf": 0.862534244855245, "aff_hs": 1.2368041276931763, "repeats_pf": {"runs": 3, "values": [0.9567, 0.789, 0.8419], "mean": 0.8625, "spread": 0.1678}, "repeats_hs": {"runs": 3, "values": [1.243, 1.307, 1.1604], "mean": 1.2368, "spread": 0.1466}, "at": 1788630227}, "tier": 1, "alerts": [], "total_sd": 0.319, "total_ci95": [8.525, 9.832], "relegate_reason": [], "submitted_at": 1788629707, "scored_at": 1788630227, "rank": 5812}, {"candidate_id": "ODC-AE9BDE", "res_at": 1787203022, "skeleton": "NAYIISYMLZEPFW", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········c2)c1", "total": 9.206, "axes": {"activity": 5.29, "binding": 0.63, "selectivity": 0.0, "admet": 1.29, "novelty": 1.11, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.917, "fraction": 0.176}, "binding": {"pIC50": 4.58, "LE": 0.273, "potency_term": 0.035, "efficiency_cap": 0.909}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.429, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 0.567, "ld50-zhu": 0.416, "herg": 0.383, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "3", "pAct_q10": 4.9173897144853544, "aff_pf": 1.4237119754155476, "aff_hs": 0.6092124581336975, "repeats_pf": {"runs": 3, "values": [1.3776, 1.4693, 1.4242], "mean": 1.4237, "spread": 0.0917}, "repeats_hs": {"runs": 3, "values": [0.3606, 0.8133, 0.6538], "mean": 0.6092, "spread": 0.4527}, "at": 1787203022}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200443, "scored_at": 1787203022, "alerts": [], "rank": 5813}, {"candidate_id": "ODC-41AAC1", "res_at": 1789904953, "skeleton": "IFMWRBHDRRVNBN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCC(··········2)CC1", "total": 9.182, "axes": {"activity": 4.86, "binding": 0.72, "selectivity": 0.0, "admet": 1.75, "novelty": 1.04, "synthesis": 0.81}, "detail": {"activity": {"pAct_q10": 4.892, "fraction": 0.162}, "binding": {"pIC50": 4.66, "LE": 0.255, "potency_term": 0.042, "efficiency_cap": 0.85}, "selectivity": {"fold": 1.4, "selectivity_term": 0.067, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.718, "per_endpoint": {"solubility-aqsoldb": 0.687, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.824, "ld50-zhu": 0.768, "herg": 0.05, "dili": 0.984}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "2", "pAct_q10": 4.891888486777057, "aff_pf": 1.3444948196411133, "aff_hs": 1.4789882898330688, "repeats_pf": {"runs": 3, "values": [1.3294, 1.3232, 1.3809], "mean": 1.3445, "spread": 0.0576}, "repeats_hs": {"runs": 3, "values": [1.4846, 1.439, 1.5133], "mean": 1.479, "spread": 0.0743}, "at": 1789904953}, "tier": 1, "alerts": [], "total_sd": 0.031, "total_ci95": [9.115, 9.225], "relegate_reason": [], "submitted_at": 1789778710, "scored_at": 1789904953, "rank": 5814}, {"candidate_id": "ODC-A49319", "res_at": 1787024278, "skeleton": "YTSWVTUNSATJGJ", "hf_user": "araai", "display_name": "aiara", "model_name": "Ara-β", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(F··········C2)n1", "total": 9.181, "axes": {"activity": 5.27, "binding": 0.43, "selectivity": 0.0, "admet": 1.55, "novelty": 1.18, "synthesis": 0.75}, "detail": {"activity": {"pAct_q10": 4.916, "fraction": 0.176}, "binding": {"pIC50": 4.5, "LE": 0.228, "potency_term": 0.028, "efficiency_cap": 0.76}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.722, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.078, "ld50-zhu": 0.829, "herg": 0.05, "dili": 0.367}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 4.915917290549583, "aff_pf": 1.5044141213099163, "aff_hs": 1.216020981470744, "repeats_pf": {"runs": 3, "values": [1.5387, 1.668, 1.3066], "mean": 1.5044, "spread": 0.3614}, "repeats_hs": {"runs": 3, "values": [1.2274, 1.2234, 1.1972], "mean": 1.216, "spread": 0.0303}, "at": 1787024278}, "tier": 1, "relegate_reason": [], "submitted_at": 1787024079, "scored_at": 1787024278, "alerts": [], "rank": 5815}, {"candidate_id": "ODC-EFFDFC", "res_at": 1787247372, "skeleton": "ODYSUBCWDRSHJW", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-PYDON03]", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(=··········C1CC1", "total": 9.181, "axes": {"activity": 5.3, "binding": 0.54, "selectivity": 0.0, "admet": 1.59, "novelty": 0.87, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.918, "fraction": 0.177}, "binding": {"pIC50": 5.08, "LE": 0.366, "potency_term": 0.027, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.027}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.519, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.811, "cyp3a4-substrate-carbonmangels": 0.228, "ld50-zhu": 0.543, "herg": 0.657, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.917910773095528, "aff_pf": 0.9189683794975281, "aff_hs": 0.5729289849599203, "repeats_pf": {"runs": 3, "values": [0.9271, 0.9348, 0.8951], "mean": 0.919, "spread": 0.0397}, "repeats_hs": {"runs": 3, "values": [0.5323, 0.6075, 0.579], "mean": 0.5729, "spread": 0.0753}, "at": 1787247372}, "tier": 1, "relegate_reason": [], "submitted_at": 1787239440, "scored_at": 1787247372, "alerts": [], "rank": 5816}, {"candidate_id": "ODC-195BD8", "res_at": 1787906899, "skeleton": "HIYMVYJHFUEDRL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········F)cc1", "total": 9.17, "axes": {"activity": 4.8, "binding": 1.41, "selectivity": 0.0, "admet": 1.49, "novelty": 0.91, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.888, "fraction": 0.16}, "binding": {"pIC50": 4.97, "LE": 0.227, "potency_term": 0.093, "efficiency_cap": 0.757}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.623, "per_endpoint": {"solubility-aqsoldb": 0.788, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.616, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.551, "ld50-zhu": 0.591, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 4.88814799554387, "aff_pf": 1.0281580289204915, "aff_hs": 1.0287787119547527, "repeats_pf": {"runs": 3, "values": [1.16, 0.7506, 1.1739], "mean": 1.0282, "spread": 0.4233}, "repeats_hs": {"runs": 3, "values": [0.9873, 1.1185, 0.9806], "mean": 1.0288, "spread": 0.1379}, "at": 1787906899}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898674, "scored_at": 1787906899, "alerts": [], "rank": 5817}, {"candidate_id": "ODC-54F39E", "res_at": 1789338625, "skeleton": "KHWGPVWOHYDTEL", "hf_user": "trblnfxn", "display_name": "NOVEL-ThiazoloPyrazine", "model_name": "Hermes-Novel-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 9.17, "axes": {"activity": 0.05, "binding": 4.33, "selectivity": 0.41, "admet": 1.87, "novelty": 1.44, "synthesis": 1.08}, "detail": {"activity": {"pAct_q10": 4.603, "fraction": 0.002}, "binding": {"pIC50": 5.65, "LE": 0.337, "potency_term": 0.217, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.094, "target_engagement": 0.217}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.437, "cyp3a4-substrate-carbonmangels": 0.851, "ld50-zhu": 0.566, "herg": 0.875, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 4.6027924632668284, "aff_pf": 0.35032208760579425, "aff_hs": 0.5378251870473226, "repeats_pf": {"runs": 3, "values": [0.3946, 0.4314, 0.225], "mean": 0.3503, "spread": 0.2063}, "repeats_hs": {"runs": 3, "values": [0.5283, 0.6268, 0.4583], "mean": 0.5378, "spread": 0.1685}, "at": 1789338625}, "tier": 1, "alerts": [], "total_sd": 0.842, "total_ci95": [8.007, 11.254], "relegate_reason": [], "submitted_at": 1789328229, "scored_at": 1789338625, "rank": 5818}, {"candidate_id": "ODC-2587A9", "res_at": 1787235952, "skeleton": "IKGDNMAMWUVANJ", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C2)n1", "total": 9.166, "axes": {"activity": 5.43, "binding": 0.77, "selectivity": 0.0, "admet": 0.91, "novelty": 1.28, "synthesis": 0.77}, "detail": {"activity": {"pAct_q10": 4.926, "fraction": 0.181}, "binding": {"pIC50": 5.17, "LE": 0.202, "potency_term": 0.057, "efficiency_cap": 0.675}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.057}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.553, "caco2-wang": 0.3, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.05, "dili": 0.706}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 4.925955131576503, "aff_pf": 0.8279877503712972, "aff_hs": -0.05401239668329557, "repeats_pf": {"runs": 3, "values": [0.7107, 0.733, 1.0403], "mean": 0.828, "spread": 0.3295}, "repeats_hs": {"runs": 3, "values": [-0.2139, 0.0391, 0.0128], "mean": -0.054, "spread": 0.2529}, "at": 1787235952}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232198, "scored_at": 1787235952, "alerts": [], "rank": 5819}, {"candidate_id": "ODC-7CAA41", "res_at": 1787330380, "skeleton": "NOPPKJLAEUQRGC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········)cc12", "total": 9.115, "axes": {"activity": 4.91, "binding": 1.0, "selectivity": 0.16, "admet": 1.18, "novelty": 1.05, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.895, "fraction": 0.164}, "binding": {"pIC50": 5.15, "LE": 0.294, "potency_term": 0.051, "efficiency_cap": 0.98}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.051}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.455, "cyp3a4-substrate-carbonmangels": 0.286, "ld50-zhu": 0.407, "herg": 0.38, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 4.894813624706182, "aff_pf": 0.8474359114964803, "aff_hs": 1.1532658735911052, "repeats_pf": {"runs": 3, "values": [0.9164, 0.896, 0.7299], "mean": 0.8474, "spread": 0.1864}, "repeats_hs": {"runs": 3, "values": [1.1043, 1.2185, 1.137], "mean": 1.1533, "spread": 0.1142}, "at": 1787330380}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328924, "scored_at": 1787330380, "alerts": [], "rank": 5820}, {"candidate_id": "ODC-0EA86E", "res_at": 1787946401, "skeleton": "YSDPEKMKLMFSDJ", "hf_user": "dlghkdueo", "display_name": "SOMANG-A5", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········cnc21", "total": 9.115, "axes": {"activity": 4.01, "binding": 2.28, "selectivity": 0.32, "admet": 1.04, "novelty": 0.79, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.841, "fraction": 0.134}, "binding": {"pIC50": 5.34, "LE": 0.305, "potency_term": 0.114, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.142, "target_engagement": 0.114}, "admet": {"geometric_mean": 0.517, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.973, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.159, "ld50-zhu": 0.335, "herg": 0.873, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "0", "pAct_q10": 4.8407471667070965, "aff_pf": 0.6575725078582764, "aff_hs": 0.942264974117279, "repeats_pf": {"runs": 3, "values": [0.6441, 0.667, 0.6616], "mean": 0.6576, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [0.889, 0.9792, 0.9586], "mean": 0.9423, "spread": 0.0903}, "at": 1787946401}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936598, "scored_at": 1787946401, "alerts": [], "rank": 5821}, {"candidate_id": "ODC-1B18B2", "res_at": 1786916918, "skeleton": "XPMPTKWZLWDKOR", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········)cc12", "total": 9.102, "axes": {"activity": 4.51, "binding": 1.77, "selectivity": 0.36, "admet": 0.7, "novelty": 1.04, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.87, "fraction": 0.15}, "binding": {"pIC50": 5.29, "LE": 0.279, "potency_term": 0.095, "efficiency_cap": 0.928}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.095}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.076, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.865, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.203, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.870418688736902, "aff_pf": 0.7139257192611694, "aff_hs": 1.0918326179186504, "repeats_pf": {"runs": 3, "values": [0.7257, 0.762, 0.6541], "mean": 0.7139, "spread": 0.1079}, "repeats_hs": {"runs": 3, "values": [1.1715, 1.1819, 0.9221], "mean": 1.0918, "spread": 0.2599}, "at": 1786916918}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915663, "scored_at": 1786916918, "alerts": [], "rank": 5822}, {"candidate_id": "ODC-97CB0B", "res_at": 1786893419, "skeleton": "LVSZUSOSZMXILS", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········)n2n1", "total": 9.094, "axes": {"activity": 5.24, "binding": 1.25, "selectivity": 0.0, "admet": 1.05, "novelty": 0.75, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 4.914, "fraction": 0.175}, "binding": {"pIC50": 4.83, "LE": 0.288, "potency_term": 0.065, "efficiency_cap": 0.959}, "selectivity": {"fold": 1.3, "selectivity_term": 0.054, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.324, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.477, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 4.9142747494731935, "aff_pf": 1.1715073585510254, "aff_hs": 1.2801543076833088, "repeats_pf": {"runs": 3, "values": [1.1482, 1.2121, 1.1542], "mean": 1.1715, "spread": 0.0639}, "repeats_hs": {"runs": 3, "values": [1.2725, 1.2439, 1.3241], "mean": 1.2802, "spread": 0.0801}, "at": 1786893419}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879152, "scored_at": 1786893419, "alerts": [], "rank": 5823}, {"candidate_id": "ODC-595638", "res_at": 1786916372, "skeleton": "RUWFEGXZFBFSGR", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········COCC1", "total": 9.091, "axes": {"activity": 4.37, "binding": 1.74, "selectivity": 0.15, "admet": 1.1, "novelty": 1.05, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.862, "fraction": 0.146}, "binding": {"pIC50": 5.28, "LE": 0.278, "potency_term": 0.094, "efficiency_cap": 0.928}, "selectivity": {"fold": 1.4, "selectivity_term": 0.08, "target_engagement": 0.094}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.525, "ld50-zhu": 0.552, "herg": 0.05, "dili": 0.556}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 4.862390108300557, "aff_pf": 0.7192884286244711, "aff_hs": 0.8797824184099833, "repeats_pf": {"runs": 3, "values": [0.7254, 0.6366, 0.7959], "mean": 0.7193, "spread": 0.1593}, "repeats_hs": {"runs": 3, "values": [0.9129, 0.8742, 0.8522], "mean": 0.8798, "spread": 0.0606}, "at": 1786916372}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915603, "scored_at": 1786916372, "alerts": [], "rank": 5824}, {"candidate_id": "ODC-32A957", "res_at": 1788332725, "skeleton": "ZUMPJJSUAOULSZ", "hf_user": "Bio-JS", "display_name": "0902-피라졸아마이드 옥세탄", "model_name": "Claude Fable 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········F)nc1", "total": 9.091, "axes": {"activity": 4.99, "binding": 0.46, "selectivity": 0.0, "admet": 1.8, "novelty": 1.12, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.9, "fraction": 0.166}, "binding": {"pIC50": 4.48, "LE": 0.255, "potency_term": 0.027, "efficiency_cap": 0.852}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.721, "per_endpoint": {"solubility-aqsoldb": 0.888, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.88, "cyp3a4-substrate-carbonmangels": 0.908, "ld50-zhu": 0.418, "herg": 0.355, "dili": 0.219}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.899503007673355, "aff_pf": 1.5249327421188354, "aff_hs": 1.6040884256362915, "repeats_pf": {"runs": 3, "values": [1.5012, 1.5475, 1.5261], "mean": 1.5249, "spread": 0.0463}, "repeats_hs": {"runs": 3, "values": [1.58, 1.6614, 1.5709], "mean": 1.6041, "spread": 0.0906}, "at": 1788332725}, "tier": 1, "alerts": [], "total_sd": 0.013, "total_ci95": [9.063, 9.121], "relegate_reason": [], "submitted_at": 1788327408, "scored_at": 1788332725, "rank": 5825}, {"candidate_id": "ODC-564BB7", "res_at": 1786980213, "skeleton": "QOXPNWANDNLPSB", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········cccc1", "total": 9.064, "axes": {"activity": 5.19, "binding": 0.21, "selectivity": 0.0, "admet": 1.78, "novelty": 1.11, "synthesis": 0.77}, "detail": {"activity": {"pAct_q10": 4.911, "fraction": 0.173}, "binding": {"pIC50": 4.22, "LE": 0.222, "potency_term": 0.014, "efficiency_cap": 0.741}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.814, "caco2-wang": 0.679, "hia-hou": 1.0, "bioavailability-ma": 0.852, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.566, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.911480709080499, "aff_pf": 1.783277114232381, "aff_hs": 1.5632884899775188, "repeats_pf": {"runs": 3, "values": [2.0664, 1.5863, 1.6971], "mean": 1.7833, "spread": 0.48}, "repeats_hs": {"runs": 3, "values": [2.1881, 1.2238, 1.278], "mean": 1.5633, "spread": 0.9643}, "at": 1786980213}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977366, "scored_at": 1786980213, "alerts": [], "rank": 5826}, {"candidate_id": "ODC-FDC505", "res_at": 1787282666, "skeleton": "PTYJLUFTFLLXMW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········2)cn1", "total": 9.056, "axes": {"activity": 5.27, "binding": 0.23, "selectivity": 0.05, "admet": 1.56, "novelty": 1.28, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.916, "fraction": 0.176}, "binding": {"pIC50": 5.03, "LE": 0.345, "potency_term": 0.011, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.011}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.235, "ld50-zhu": 0.384, "herg": 0.054, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 4.916201347269544, "aff_pf": 0.9661985238393148, "aff_hs": 1.4112660090128581, "repeats_pf": {"runs": 3, "values": [0.9697, 0.9665, 0.9624], "mean": 0.9662, "spread": 0.0072}, "repeats_hs": {"runs": 3, "values": [1.4329, 1.5479, 1.253], "mean": 1.4113, "spread": 0.2949}, "at": 1787282666}, "tier": 1, "relegate_reason": [], "submitted_at": 1787279524, "scored_at": 1787282666, "alerts": [], "rank": 5827}, {"candidate_id": "ODC-29C0EB", "res_at": 1787148106, "skeleton": "AJXPQTINFTWRKH", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M-P1", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCn1ccc··········)c1=O", "total": 9.053, "axes": {"activity": 2.34, "binding": 3.3, "selectivity": 0.59, "admet": 1.17, "novelty": 0.83, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.5, "fraction": 0.078}, "binding": {"pIC50": 5.5, "LE": 0.342, "potency_term": 0.165, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.18, "target_engagement": 0.165}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.48, "caco2-wang": 0.966, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.573, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.253, "herg": 0.08, "dili": 0.394}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.05}}, "run": {"gpu": "3", "pAct_q10": 4.499864374601557, "aff_pf": 0.504441112279892, "aff_hs": 0.8645273645718893, "repeats_pf": {"runs": 3, "values": [0.5353, 0.4812, 0.4968], "mean": 0.5044, "spread": 0.0541}, "repeats_hs": {"runs": 3, "values": [0.8889, 0.8832, 0.8215], "mean": 0.8645, "spread": 0.0675}, "at": 1787148106}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145188, "scored_at": 1787148106, "alerts": [], "rank": 5828}, {"candidate_id": "ODC-61C9BD", "res_at": 1787147177, "skeleton": "BXGUJNPUFVYLLY", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 9.052, "axes": {"activity": 2.9, "binding": 2.81, "selectivity": 0.57, "admet": 1.3, "novelty": 0.76, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.586, "fraction": 0.097}, "binding": {"pIC50": 5.42, "LE": 0.354, "potency_term": 0.141, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.203, "target_engagement": 0.141}, "admet": {"geometric_mean": 0.618, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.973, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.553, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.616, "herg": 0.776, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.586440114343647, "aff_pf": 0.5780362983544668, "aff_hs": 0.984092116355896, "repeats_pf": {"runs": 3, "values": [0.5635, 0.4492, 0.7214], "mean": 0.578, "spread": 0.2722}, "repeats_hs": {"runs": 3, "values": [0.9868, 0.9963, 0.9691], "mean": 0.9841, "spread": 0.0272}, "at": 1787147177}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143337, "scored_at": 1787147177, "alerts": [], "rank": 5829}, {"candidate_id": "ODC-F02FB7", "res_at": 1787161156, "skeleton": "VLNGTCGWRCOLJI", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········)cc12", "total": 9.039, "axes": {"activity": 4.4, "binding": 1.91, "selectivity": 0.0, "admet": 1.0, "novelty": 1.0, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.864, "fraction": 0.147}, "binding": {"pIC50": 4.98, "LE": 0.325, "potency_term": 0.096, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.069, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.225, "cyp3a4-substrate-carbonmangels": 0.781, "ld50-zhu": 0.218, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "3", "pAct_q10": 4.863743716450247, "aff_pf": 1.0182675123214722, "aff_hs": 1.1553115844726562, "repeats_pf": {"runs": 3, "values": [1.0695, 1.0334, 0.9519], "mean": 1.0183, "spread": 0.1175}, "repeats_hs": {"runs": 3, "values": [1.3027, 1.0452, 1.118], "mean": 1.1553, "spread": 0.2574}, "at": 1787161156}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151111, "scored_at": 1787161156, "alerts": [], "rank": 5830}, {"candidate_id": "ODC-00B66F", "res_at": 1787203856, "skeleton": "AZFXZWADQIJUCO", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 9.009, "axes": {"activity": 2.5, "binding": 3.59, "selectivity": 0.0, "admet": 1.78, "novelty": 0.74, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.75, "fraction": 0.083}, "binding": {"pIC50": 5.54, "LE": 0.316, "potency_term": 0.179, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.179}, "admet": {"geometric_mean": 0.661, "per_endpoint": {"solubility-aqsoldb": 0.856, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.564, "herg": 0.328, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.587, "novelty": 0.413}, "synthesis": {"sa_score": 4.44}}, "run": {"gpu": "3", "pAct_q10": 4.750037932737086, "aff_pf": 0.4617154896259308, "aff_hs": -0.08374469851454099, "repeats_pf": {"runs": 3, "values": [0.5035, 0.4923, 0.3894], "mean": 0.4617, "spread": 0.1141}, "repeats_hs": {"runs": 3, "values": [-0.1428, -0.0481, -0.0604], "mean": -0.0837, "spread": 0.0947}, "at": 1787203856}, "tier": 1, "relegate_reason": [], "submitted_at": 1787200636, "scored_at": 1787203856, "alerts": [], "rank": 5831}, {"candidate_id": "ODC-9BD67A", "res_at": 1789939512, "skeleton": "WAASFXMSYZQKHG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········s2)C1", "total": 9.003, "axes": {"activity": 5.01, "binding": 0.97, "selectivity": 0.0, "admet": 1.25, "novelty": 1.04, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.901, "fraction": 0.167}, "binding": {"pIC50": 4.77, "LE": 0.261, "potency_term": 0.056, "efficiency_cap": 0.871}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.57, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.587, "herg": 0.06, "dili": 0.271}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 4.900711267039305, "aff_pf": 1.2339833974838257, "aff_hs": 0.8149946729342142, "repeats_pf": {"runs": 3, "values": [1.2143, 1.2256, 1.262], "mean": 1.234, "spread": 0.0478}, "repeats_hs": {"runs": 3, "values": [0.7574, 0.8698, 0.8178], "mean": 0.815, "spread": 0.1124}, "at": 1789939512}, "tier": 1, "alerts": [], "total_sd": 0.029, "total_ci95": [8.963, 9.057], "relegate_reason": [], "submitted_at": 1789778829, "scored_at": 1789939512, "rank": 5832}, {"candidate_id": "ODC-0EB2A6", "res_at": 1787146438, "skeleton": "QBQWSIDUHYPXAE", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········3)cc1", "total": 8.985, "axes": {"activity": 1.64, "binding": 3.5, "selectivity": 0.47, "admet": 1.51, "novelty": 0.98, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.699, "fraction": 0.055}, "binding": {"pIC50": 5.52, "LE": 0.344, "potency_term": 0.175, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.135, "target_engagement": 0.175}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.822, "cyp3a4-substrate-carbonmangels": 0.72, "ld50-zhu": 0.391, "herg": 0.601, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "3", "pAct_q10": 4.698564500381885, "aff_pf": 0.4753507375717163, "aff_hs": 0.7459895610809326, "repeats_pf": {"runs": 3, "values": [0.6568, 0.485, 0.2843], "mean": 0.4754, "spread": 0.3726}, "repeats_hs": {"runs": 3, "values": [0.633, 0.8409, 0.7641], "mean": 0.746, "spread": 0.2079}, "at": 1787146438}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143233, "scored_at": 1787146438, "alerts": [], "rank": 5833}, {"candidate_id": "ODC-6E06F3", "res_at": 1787162903, "skeleton": "ATUPCBNKVVLKJT", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········2)on1", "total": 8.969, "axes": {"activity": 5.53, "binding": 0.19, "selectivity": 0.03, "admet": 1.1, "novelty": 1.2, "synthesis": 0.92}, "detail": {"activity": {"pAct_q10": 4.932, "fraction": 0.184}, "binding": {"pIC50": 5.03, "LE": 0.3, "potency_term": 0.009, "efficiency_cap": 0.998}, "selectivity": {"fold": 2.0, "selectivity_term": 0.148, "target_engagement": 0.009}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.778, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.367, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.188, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.02}}, "run": {"gpu": "3", "pAct_q10": 4.931877680790408, "aff_pf": 0.9715884129206339, "aff_hs": 1.26723845799764, "repeats_pf": {"runs": 3, "values": [0.9785, 0.9168, 1.0194], "mean": 0.9716, "spread": 0.1027}, "repeats_hs": {"runs": 3, "values": [1.3531, 1.1796, 1.269], "mean": 1.2672, "spread": 0.1735}, "at": 1787162903}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151588, "scored_at": 1787162903, "alerts": [], "rank": 5834}, {"candidate_id": "ODC-BBE3E4", "res_at": 1786992095, "skeleton": "IKVDIKADKSAXMT", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········C(F)F", "total": 8.931, "axes": {"activity": 2.15, "binding": 3.0, "selectivity": 0.93, "admet": 1.36, "novelty": 0.94, "synthesis": 0.56}, "detail": {"activity": {"pAct_q10": 4.466, "fraction": 0.072}, "binding": {"pIC50": 5.45, "LE": 0.325, "potency_term": 0.15, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.2, "selectivity_term": 0.31, "target_engagement": 0.15}, "admet": {"geometric_mean": 0.606, "per_endpoint": {"solubility-aqsoldb": 0.881, "caco2-wang": 0.928, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 0.528, "ld50-zhu": 0.407, "herg": 0.188, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 4.466367857123708, "aff_pf": 0.5506338079770406, "aff_hs": 1.1711307764053345, "repeats_pf": {"runs": 3, "values": [0.6221, 0.4547, 0.5751], "mean": 0.5506, "spread": 0.1674}, "repeats_hs": {"runs": 3, "values": [1.2124, 1.1425, 1.1585], "mean": 1.1711, "spread": 0.0699}, "at": 1786992095}, "tier": 1, "relegate_reason": [], "submitted_at": 1786991585, "scored_at": 1786992095, "alerts": [], "rank": 5835}, {"candidate_id": "ODC-C3C525", "res_at": 1786981963, "skeleton": "QTQRGTUNQNOMON", "hf_user": "polarbearsong", "display_name": "ODC-R1-08-pyridopyrimidinone", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········C(F)F", "total": 8.92, "axes": {"activity": 5.32, "binding": 0.17, "selectivity": 0.0, "admet": 1.32, "novelty": 1.25, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.919, "fraction": 0.177}, "binding": {"pIC50": 4.11, "LE": 0.235, "potency_term": 0.011, "efficiency_cap": 0.782}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.288, "ld50-zhu": 0.247, "herg": 0.323, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 4.919124489859369, "aff_pf": 1.8903193076451619, "aff_hs": 1.7065815528233845, "repeats_pf": {"runs": 3, "values": [1.8909, 1.8915, 1.8886], "mean": 1.8903, "spread": 0.0029}, "repeats_hs": {"runs": 3, "values": [1.6352, 1.6464, 1.8382], "mean": 1.7066, "spread": 0.2031}, "at": 1786981963}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979326, "scored_at": 1786981963, "alerts": [], "rank": 5836}, {"candidate_id": "ODC-6C80EA", "res_at": 1787589225, "skeleton": "UEZROFFUZQLKPB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)s1", "total": 8.915, "axes": {"activity": 4.57, "binding": 1.21, "selectivity": 0.0, "admet": 1.33, "novelty": 1.16, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.874, "fraction": 0.152}, "binding": {"pIC50": 4.8, "LE": 0.313, "potency_term": 0.06, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.424, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.512, "cyp3a4-substrate-carbonmangels": 0.502, "ld50-zhu": 0.51, "herg": 0.05, "dili": 0.834}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "3", "pAct_q10": 4.87413339140963, "aff_pf": 1.201763431231181, "aff_hs": 0.757383128007253, "repeats_pf": {"runs": 3, "values": [1.2742, 1.2773, 1.0538], "mean": 1.2018, "spread": 0.2234}, "repeats_hs": {"runs": 3, "values": [0.6206, 0.8025, 0.849], "mean": 0.7574, "spread": 0.2284}, "at": 1787589225}, "tier": 1, "relegate_reason": [], "submitted_at": 1787587783, "scored_at": 1787589225, "alerts": [], "rank": 5837}, {"candidate_id": "ODC-7DD23F", "res_at": 1786753883, "skeleton": "UATRCFWLEIPVBR", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "250-300", "visibility": "public", "smiles": "Cc1ccc(Nc2ncc3c(n2)CCC3)c(OC(C)C)c1", "smiles_masked": null, "total": 8.9, "axes": {"activity": 4.29, "binding": 1.98, "selectivity": 0.0, "admet": 0.97, "novelty": 0.95, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.857, "fraction": 0.143}, "binding": {"pIC50": 5.3, "LE": 0.346, "potency_term": 0.099, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.186, "herg": 0.109, "dili": 0.193}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "3", "pAct_q10": 4.857487612922744, "aff_pf": 0.7026503086090088, "aff_hs": 0.4699375331401825, "at": 1786753883}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786753883, "alerts": [], "rank": 5838}, {"candidate_id": "ODC-4D5D99", "res_at": 1786886981, "skeleton": "KDBKLCMSUNZFSO", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(B··········)nn12", "total": 8.892, "axes": {"activity": 5.47, "binding": 0.28, "selectivity": 0.0, "admet": 1.14, "novelty": 1.26, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.928, "fraction": 0.182}, "binding": {"pIC50": 5.05, "LE": 0.277, "potency_term": 0.015, "efficiency_cap": 0.922}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.015}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.736, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.326, "ld50-zhu": 0.536, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "2", "pAct_q10": 4.928495826884095, "aff_pf": 0.9537818431854248, "aff_hs": 0.875377357006073, "repeats_pf": {"runs": 3, "values": [1.0151, 0.8723, 0.9739], "mean": 0.9538, "spread": 0.1427}, "repeats_hs": {"runs": 3, "values": [0.9106, 0.858, 0.8575], "mean": 0.8754, "spread": 0.0531}, "at": 1786886981}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879595, "scored_at": 1786886981, "alerts": [], "rank": 5839}, {"candidate_id": "ODC-588BBA", "res_at": 1787075756, "skeleton": "MCLLLUNZCVQKAH", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COC1CN(··········2N)C1", "total": 8.892, "axes": {"activity": 4.25, "binding": 1.71, "selectivity": 0.0, "admet": 1.26, "novelty": 0.99, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.855, "fraction": 0.142}, "binding": {"pIC50": 4.96, "LE": 0.283, "potency_term": 0.09, "efficiency_cap": 0.944}, "selectivity": {"fold": 4.5, "selectivity_term": 0.327, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.939, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.944, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.424, "herg": 0.05, "dili": 0.228}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 4.8547738121045905, "aff_pf": 1.0401832461357117, "aff_hs": 1.693694790204366, "repeats_pf": {"runs": 3, "values": [0.9818, 1.0643, 1.0745], "mean": 1.0402, "spread": 0.0927}, "repeats_hs": {"runs": 3, "values": [1.6286, 1.7725, 1.68], "mean": 1.6937, "spread": 0.1439}, "at": 1787075756}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066220, "scored_at": 1787075756, "alerts": [], "rank": 5840}, {"candidate_id": "ODC-C32263", "res_at": 1787145694, "skeleton": "MDEVFWDSLKDMCA", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 8.886, "axes": {"activity": 3.79, "binding": 2.65, "selectivity": 0.36, "admet": 0.97, "novelty": 0.45, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.827, "fraction": 0.126}, "binding": {"pIC50": 5.4, "LE": 0.336, "potency_term": 0.133, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.133}, "admet": {"geometric_mean": 0.486, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.918, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.402, "ld50-zhu": 0.383, "herg": 0.256, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 4.827308182181088, "aff_pf": 0.6022112369537354, "aff_hs": 0.8769704103469849, "repeats_pf": {"runs": 3, "values": [0.5561, 0.6373, 0.6132], "mean": 0.6022, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [0.8734, 0.8842, 0.8734], "mean": 0.877, "spread": 0.0108}, "at": 1787145694}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143140, "scored_at": 1787145694, "alerts": [], "rank": 5841}, {"candidate_id": "ODC-A402FD", "res_at": 1787157552, "skeleton": "ZVUCKBWEXFXSRQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W2-R4", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cc1", "total": 8.881, "axes": {"activity": 5.36, "binding": 0.1, "selectivity": 0.0, "admet": 1.44, "novelty": 1.11, "synthesis": 0.88}, "detail": {"activity": {"pAct_q10": 4.922, "fraction": 0.179}, "binding": {"pIC50": 3.85, "LE": 0.264, "potency_term": 0.006, "efficiency_cap": 0.88}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.912, "cyp2c9-veith": 0.786, "cyp3a4-substrate-carbonmangels": 0.802, "ld50-zhu": 0.313, "herg": 0.551, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.921681995209551, "aff_pf": 2.1470371087392173, "aff_hs": 1.3865166505177815, "repeats_pf": {"runs": 3, "values": [2.2035, 2.1718, 2.0658], "mean": 2.147, "spread": 0.1378}, "repeats_hs": {"runs": 3, "values": [1.4159, 1.4183, 1.3253], "mean": 1.3865, "spread": 0.093}, "at": 1787157552}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148214, "scored_at": 1787157552, "alerts": [], "rank": 5842}, {"candidate_id": "ODC-E36EBA", "res_at": 1788458961, "skeleton": "GMHHSWHSNRPQAN", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C1C(C··········c2)o1", "total": 8.876, "axes": {"activity": 3.56, "binding": 2.28, "selectivity": 1.14, "admet": 0.58, "novelty": 0.83, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.814, "fraction": 0.119}, "binding": {"pIC50": 5.48, "LE": 0.214, "potency_term": 0.159, "efficiency_cap": 0.715}, "selectivity": {"fold": 5.2, "selectivity_term": 0.359, "target_engagement": 0.159}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.306, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.653, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 4.8137940440932825, "aff_pf": 0.5220452745755514, "aff_hs": 1.2396875619888306, "repeats_pf": {"runs": 3, "values": [0.4076, 0.7192, 0.4394], "mean": 0.522, "spread": 0.3115}, "repeats_hs": {"runs": 3, "values": [1.1018, 1.3316, 1.2856], "mean": 1.2397, "spread": 0.2298}, "at": 1788458961}, "tier": 1, "alerts": [], "total_sd": 0.899, "total_ci95": [7.246, 10.379], "relegate_reason": [], "submitted_at": 1788394203, "scored_at": 1788458961, "rank": 5843}, {"candidate_id": "ODC-87B6A0", "res_at": 1787073323, "skeleton": "CCGIDWGREIQARW", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········cc2n1", "total": 8.855, "axes": {"activity": 3.14, "binding": 2.91, "selectivity": 0.0, "admet": 1.05, "novelty": 1.05, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.789, "fraction": 0.105}, "binding": {"pIC50": 5.44, "LE": 0.324, "potency_term": 0.145, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.145}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.608, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.302, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.7886903119683595, "aff_pf": 0.5641115208466848, "aff_hs": 0.3678116997083028, "repeats_pf": {"runs": 3, "values": [0.5429, 0.6959, 0.4535], "mean": 0.5641, "spread": 0.2424}, "repeats_hs": {"runs": 3, "values": [0.3617, 0.3281, 0.4137], "mean": 0.3678, "spread": 0.0856}, "at": 1787073323}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066078, "scored_at": 1787073323, "alerts": [], "rank": 5844}, {"candidate_id": "ODC-2631A2", "res_at": 1786930681, "skeleton": "MHOJCTPTJNWOEU", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········)c1=O", "total": 8.833, "axes": {"activity": 2.6, "binding": 3.07, "selectivity": 0.0, "admet": 1.31, "novelty": 1.2, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.543, "fraction": 0.087}, "binding": {"pIC50": 5.46, "LE": 0.312, "potency_term": 0.154, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.154}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.955, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.622, "ld50-zhu": 0.88, "herg": 0.928, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.217, "novelty": 0.783}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "3", "pAct_q10": 4.543461288576003, "aff_pf": 0.5388649304707845, "aff_hs": 0.3717329998811086, "repeats_pf": {"runs": 3, "values": [0.5608, 0.5652, 0.4906], "mean": 0.5389, "spread": 0.0746}, "repeats_hs": {"runs": 3, "values": [0.4178, 0.3153, 0.3822], "mean": 0.3717, "spread": 0.1025}, "at": 1786930681}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924842, "scored_at": 1786930681, "alerts": [], "rank": 5845}, {"candidate_id": "ODC-3CEFA2", "res_at": 1786809920, "skeleton": "BOHDBUIPVWERMY", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········ccn12", "total": 8.775, "axes": {"activity": 4.78, "binding": 0.8, "selectivity": 0.05, "admet": 1.33, "novelty": 1.13, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.887, "fraction": 0.159}, "binding": {"pIC50": 5.13, "LE": 0.281, "potency_term": 0.042, "efficiency_cap": 0.937}, "selectivity": {"fold": 1.3, "selectivity_term": 0.058, "target_engagement": 0.042}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.949}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 4.886935779312731, "aff_pf": 0.87255330880483, "aff_hs": 0.9892052412033081, "repeats_pf": {"runs": 3, "values": [0.7132, 1.0143, 0.8902], "mean": 0.8726, "spread": 0.3011}, "repeats_hs": {"runs": 3, "values": [1.0889, 0.8584, 1.0204], "mean": 0.9892, "spread": 0.2305}, "at": 1786809920}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789405, "scored_at": 1786809920, "alerts": [], "rank": 5846}, {"candidate_id": "ODC-FDB231", "res_at": 1788892733, "skeleton": "LQVVARAPNYJQCV", "hf_user": "trblnfxn", "display_name": "DZB-F", "model_name": "DZB-v1-docking", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 8.741, "axes": {"activity": 4.61, "binding": 1.31, "selectivity": 0.0, "admet": 1.17, "novelty": 0.97, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.877, "fraction": 0.154}, "binding": {"pIC50": 4.86, "LE": 0.278, "potency_term": 0.071, "efficiency_cap": 0.925}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.499, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.609, "ld50-zhu": 0.424, "herg": 0.778, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 4.876623462350964, "aff_pf": 1.136819879213969, "aff_hs": 0.6163178284962972, "repeats_pf": {"runs": 3, "values": [1.0235, 1.2068, 1.1802], "mean": 1.1368, "spread": 0.1832}, "repeats_hs": {"runs": 3, "values": [0.6019, 0.6065, 0.6406], "mean": 0.6163, "spread": 0.0386}, "at": 1788892733}, "tier": 1, "alerts": [], "total_sd": 0.175, "total_ci95": [8.54, 9.212], "relegate_reason": [], "submitted_at": 1788889063, "scored_at": 1788892733, "rank": 5847}, {"candidate_id": "ODC-800949", "res_at": 1786907490, "skeleton": "ZFBUIXDVBNCDOT", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(Nc··········)c1=O", "total": 8.731, "axes": {"activity": 2.04, "binding": 3.01, "selectivity": 0.53, "admet": 1.43, "novelty": 1.14, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.446, "fraction": 0.068}, "binding": {"pIC50": 5.45, "LE": 0.311, "potency_term": 0.151, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.175, "target_engagement": 0.151}, "admet": {"geometric_mean": 0.635, "per_endpoint": {"solubility-aqsoldb": 0.466, "caco2-wang": 0.938, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.373, "cyp3a4-substrate-carbonmangels": 0.445, "ld50-zhu": 0.837, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 4.445517140559033, "aff_pf": 0.5484094222386678, "aff_hs": 0.898134688536326, "repeats_pf": {"runs": 3, "values": [0.4727, 0.5811, 0.5914], "mean": 0.5484, "spread": 0.1187}, "repeats_hs": {"runs": 3, "values": [0.8154, 0.9602, 0.9188], "mean": 0.8981, "spread": 0.1448}, "at": 1786907490}, "tier": 1, "relegate_reason": [], "submitted_at": 1786895339, "scored_at": 1786907490, "alerts": [], "rank": 5848}, {"candidate_id": "ODC-FAE522", "res_at": 1789914530, "skeleton": "XBQQXPHUBMGTDI", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········F)cc1", "total": 8.728, "axes": {"activity": 4.13, "binding": 1.51, "selectivity": 0.52, "admet": 1.05, "novelty": 0.83, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.848, "fraction": 0.138}, "binding": {"pIC50": 5.23, "LE": 0.377, "potency_term": 0.076, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.346, "target_engagement": 0.076}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.604, "cyp3a4-substrate-carbonmangels": 0.621, "ld50-zhu": 0.203, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 1.81}}, "run": {"gpu": "0", "pAct_q10": 4.847694822592913, "aff_pf": 0.7730157772699991, "aff_hs": 1.464990496635437, "repeats_pf": {"runs": 3, "values": [0.8196, 0.7051, 0.7944], "mean": 0.773, "spread": 0.1145}, "repeats_hs": {"runs": 3, "values": [1.5387, 1.4416, 1.4147], "mean": 1.465, "spread": 0.1241}, "at": 1789914530}, "tier": 1, "alerts": [], "total_sd": 0.266, "total_ci95": [8.307, 9.133], "relegate_reason": [], "submitted_at": 1789689578, "scored_at": 1789914530, "rank": 5849}, {"candidate_id": "ODC-B72F56", "res_at": 1787910358, "skeleton": "TZWWQVXVUIPUFW", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········F)cc1", "total": 8.727, "axes": {"activity": 4.6, "binding": 1.35, "selectivity": 0.0, "admet": 1.32, "novelty": 0.88, "synthesis": 0.57}, "detail": {"activity": {"pAct_q10": 4.876, "fraction": 0.153}, "binding": {"pIC50": 4.97, "LE": 0.22, "potency_term": 0.092, "efficiency_cap": 0.732}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.575, "per_endpoint": {"solubility-aqsoldb": 0.835, "caco2-wang": 0.506, "hia-hou": 0.934, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.745, "cyp2c9-veith": 0.729, "cyp3a4-substrate-carbonmangels": 0.534, "ld50-zhu": 0.941, "herg": 0.104, "dili": 0.06}}, "novelty": {"max_tanimoto": 0.427, "novelty": 0.573}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 4.876225015217054, "aff_pf": 1.0331565539042156, "aff_hs": 1.125065843264262, "repeats_pf": {"runs": 3, "values": [1.1781, 0.8779, 1.0435], "mean": 1.0332, "spread": 0.3002}, "repeats_hs": {"runs": 3, "values": [0.9575, 1.229, 1.1887], "mean": 1.1251, "spread": 0.2715}, "at": 1787910358}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898736, "scored_at": 1787910358, "alerts": [], "rank": 5850}, {"candidate_id": "ODC-222A95", "res_at": 1787056058, "skeleton": "TYRWWMBQHVLAOV", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········O1)C2", "total": 8.716, "axes": {"activity": 2.52, "binding": 3.26, "selectivity": 0.09, "admet": 1.33, "novelty": 1.18, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.529, "fraction": 0.084}, "binding": {"pIC50": 5.49, "LE": 0.301, "potency_term": 0.163, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.875, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.438, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 4.59}}, "run": {"gpu": "3", "pAct_q10": 4.529465228707837, "aff_pf": 0.5104421774546305, "aff_hs": 0.5685338377952576, "repeats_pf": {"runs": 3, "values": [0.6104, 0.6226, 0.2983], "mean": 0.5104, "spread": 0.3244}, "repeats_hs": {"runs": 3, "values": [0.4969, 0.6191, 0.5896], "mean": 0.5685, "spread": 0.1222}, "at": 1787056058}, "tier": 1, "relegate_reason": [], "submitted_at": 1787055661, "scored_at": 1787056058, "alerts": [], "rank": 5851}, {"candidate_id": "ODC-39987B", "res_at": 1788487767, "skeleton": "WGHUPPPRGGZWRT", "hf_user": "Lauhel", "display_name": "Mary", "model_name": "mary 8B", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1nc··········oc2n1", "total": 8.714, "axes": {"activity": 5.25, "binding": 0.44, "selectivity": 0.0, "admet": 1.13, "novelty": 1.02, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.915, "fraction": 0.175}, "binding": {"pIC50": 4.48, "LE": 0.245, "potency_term": 0.027, "efficiency_cap": 0.818}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.432, "per_endpoint": {"solubility-aqsoldb": 0.349, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.391, "herg": 0.248, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 4.9148849735848295, "aff_pf": 1.5212270418802898, "aff_hs": 1.6953067779541016, "repeats_pf": {"runs": 3, "values": [1.4987, 1.5175, 1.5475], "mean": 1.5212, "spread": 0.0488}, "repeats_hs": {"runs": 3, "values": [1.6619, 1.7458, 1.6783], "mean": 1.6953, "spread": 0.0839}, "at": 1788487767}, "tier": 1, "alerts": [], "total_sd": 0.014, "total_ci95": [8.683, 8.742], "relegate_reason": [], "submitted_at": 1788422538, "scored_at": 1788487767, "rank": 5852}, {"candidate_id": "ODC-FBBF57", "res_at": 1788859021, "skeleton": "QOWCHIZAKNZCEJ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-19", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cc2n1", "total": 8.695, "axes": {"activity": 4.96, "binding": 0.57, "selectivity": 0.0, "admet": 1.34, "novelty": 1.0, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.897, "fraction": 0.165}, "binding": {"pIC50": 4.52, "LE": 0.282, "potency_term": 0.03, "efficiency_cap": 0.939}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.924, "cyp2c9-veith": 0.519, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.371, "herg": 0.806, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "0", "pAct_q10": 4.8973102924959795, "aff_pf": 1.4778422117233276, "aff_hs": 1.3720204035441081, "repeats_pf": {"runs": 3, "values": [1.5586, 1.3289, 1.5461], "mean": 1.4778, "spread": 0.2297}, "repeats_hs": {"runs": 3, "values": [1.3532, 1.3122, 1.4507], "mean": 1.372, "spread": 0.1385}, "at": 1788859021}, "tier": 1, "alerts": [], "total_sd": 0.099, "total_ci95": [8.583, 8.979], "relegate_reason": [], "submitted_at": 1788856497, "scored_at": 1788859021, "rank": 5853}, {"candidate_id": "ODC-87A791", "res_at": 1787910872, "skeleton": "GTRJFXLZVCHSEY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 8.684, "axes": {"activity": 3.77, "binding": 2.52, "selectivity": 0.39, "admet": 0.93, "novelty": 0.64, "synthesis": 0.43}, "detail": {"activity": {"pAct_q10": 4.826, "fraction": 0.126}, "binding": {"pIC50": 5.43, "LE": 0.266, "potency_term": 0.142, "efficiency_cap": 0.885}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.142}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.642, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.174, "cyp2c9-veith": 0.5, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.815, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.493, "novelty": 0.507}, "synthesis": {"sa_score": 3.6}}, "run": {"gpu": "3", "pAct_q10": 4.826057051798513, "aff_pf": 0.5725131432215372, "aff_hs": 0.8490631977717081, "repeats_pf": {"runs": 3, "values": [0.6292, 0.5479, 0.5404], "mean": 0.5725, "spread": 0.0888}, "repeats_hs": {"runs": 3, "values": [0.8087, 0.9005, 0.838], "mean": 0.8491, "spread": 0.0918}, "at": 1787910872}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898771, "scored_at": 1787910872, "alerts": [], "rank": 5854}, {"candidate_id": "ODC-790869", "res_at": 1789932671, "skeleton": "FYZDPASJMDHGJT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········nH]n1", "total": 8.682, "axes": {"activity": 4.74, "binding": 0.68, "selectivity": 0.0, "admet": 1.39, "novelty": 1.07, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.885, "fraction": 0.158}, "binding": {"pIC50": 4.62, "LE": 0.264, "potency_term": 0.039, "efficiency_cap": 0.88}, "selectivity": {"fold": 1.7, "selectivity_term": 0.121, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.777, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.249, "ld50-zhu": 0.258, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "0", "pAct_q10": 4.884691324315971, "aff_pf": 1.377309799194336, "aff_hs": 1.6202419598897297, "repeats_pf": {"runs": 3, "values": [1.3672, 1.4043, 1.3604], "mean": 1.3773, "spread": 0.0438}, "repeats_hs": {"runs": 3, "values": [1.5889, 1.6609, 1.6108], "mean": 1.6202, "spread": 0.072}, "at": 1789932671}, "tier": 1, "alerts": [], "total_sd": 0.022, "total_ci95": [8.634, 8.714], "relegate_reason": [], "submitted_at": 1789778702, "scored_at": 1789932671, "rank": 5855}, {"candidate_id": "ODC-E11F1A", "res_at": 1787194984, "skeleton": "YRHFYBCZHUMWHR", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cn1", "total": 8.668, "axes": {"activity": 4.86, "binding": 0.64, "selectivity": 0.0, "admet": 1.37, "novelty": 1.1, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.892, "fraction": 0.162}, "binding": {"pIC50": 4.6, "LE": 0.262, "potency_term": 0.036, "efficiency_cap": 0.875}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.565, "per_endpoint": {"solubility-aqsoldb": 0.637, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.483, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 4.8915925576129204, "aff_pf": 1.4032042423884075, "aff_hs": 1.350846767425537, "repeats_pf": {"runs": 3, "values": [1.4255, 1.4544, 1.3297], "mean": 1.4032, "spread": 0.1246}, "repeats_hs": {"runs": 3, "values": [1.2671, 1.3833, 1.4021], "mean": 1.3508, "spread": 0.135}, "at": 1787194984}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192149, "scored_at": 1787194984, "alerts": [], "rank": 5856}, {"candidate_id": "ODC-F6BCBC", "res_at": 1789297732, "skeleton": "AITRGQOTIIVMHH", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 8.645, "axes": {"activity": 1.29, "binding": 4.05, "selectivity": 0.0, "admet": 1.52, "novelty": 0.96, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.677, "fraction": 0.043}, "binding": {"pIC50": 5.61, "LE": 0.349, "potency_term": 0.202, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.202}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.789, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.393, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.617, "herg": 0.803, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 4.677193208422823, "aff_pf": 0.39259212215741474, "aff_hs": 0.2703334490458171, "repeats_pf": {"runs": 3, "values": [0.3926, 0.3254, 0.4598], "mean": 0.3926, "spread": 0.1344}, "repeats_hs": {"runs": 3, "values": [0.2661, 0.2784, 0.2665], "mean": 0.2703, "spread": 0.0123}, "at": 1789297732}, "tier": 1, "alerts": [], "total_sd": 0.384, "total_ci95": [7.83, 9.458], "relegate_reason": [], "submitted_at": 1789296980, "scored_at": 1789297732, "rank": 5857}, {"candidate_id": "ODC-6EF15C", "res_at": 1788333194, "skeleton": "KZCDDLFWLJZETO", "hf_user": "Bio-JS", "display_name": "0902-싸이아졸아마이드", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········c2)s1", "total": 8.643, "axes": {"activity": 4.67, "binding": 0.74, "selectivity": 0.0, "admet": 1.48, "novelty": 1.09, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.88, "fraction": 0.156}, "binding": {"pIC50": 4.64, "LE": 0.276, "potency_term": 0.04, "efficiency_cap": 0.92}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.633, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 0.983, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.402, "cyp3a4-substrate-carbonmangels": 0.179, "ld50-zhu": 0.564, "herg": 1.0, "dili": 0.191}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "0", "pAct_q10": 4.880417866517798, "aff_pf": 1.3648350238800049, "aff_hs": 0.8152225812276205, "repeats_pf": {"runs": 3, "values": [1.3706, 1.2404, 1.4835], "mean": 1.3648, "spread": 0.2431}, "repeats_hs": {"runs": 3, "values": [0.7379, 0.8902, 0.8176], "mean": 0.8152, "spread": 0.1522}, "at": 1788333194}, "tier": 1, "alerts": [], "total_sd": 0.109, "total_ci95": [8.497, 8.94], "relegate_reason": [], "submitted_at": 1788327418, "scored_at": 1788333194, "rank": 5858}, {"candidate_id": "ODC-77B3DE", "res_at": 1786886795, "skeleton": "OIUWJOFHKZJCLQ", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········)nn12", "total": 8.616, "axes": {"activity": 5.45, "binding": 0.39, "selectivity": 0.0, "admet": 0.97, "novelty": 1.02, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.927, "fraction": 0.182}, "binding": {"pIC50": 4.43, "LE": 0.243, "potency_term": 0.024, "efficiency_cap": 0.808}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.591, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.058, "ld50-zhu": 0.535, "herg": 0.05, "dili": 0.206}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "2", "pAct_q10": 4.927104750482121, "aff_pf": 1.5739502509435017, "aff_hs": 1.591067910194397, "repeats_pf": {"runs": 3, "values": [1.623, 1.5834, 1.5154], "mean": 1.574, "spread": 0.1076}, "repeats_hs": {"runs": 3, "values": [1.5142, 1.6318, 1.6272], "mean": 1.5911, "spread": 0.1176}, "at": 1786886795}, "tier": 1, "relegate_reason": [], "submitted_at": 1786879437, "scored_at": 1786886795, "alerts": [], "rank": 5859}, {"candidate_id": "ODC-1D7F8F", "res_at": 1787373875, "skeleton": "JJCYAIDYBPGTNQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········2)c1C", "total": 8.6, "axes": {"activity": 2.55, "binding": 2.72, "selectivity": 0.99, "admet": 1.15, "novelty": 0.58, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.535, "fraction": 0.085}, "binding": {"pIC50": 5.41, "LE": 0.337, "potency_term": 0.136, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.136}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.58, "cyp3a4-substrate-carbonmangels": 0.248, "ld50-zhu": 0.466, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.577, "novelty": 0.423}, "synthesis": {"sa_score": 2.85}}, "run": {"gpu": "3", "pAct_q10": 4.5350072346443975, "aff_pf": 0.5914628704388937, "aff_hs": 1.3161133130391438, "repeats_pf": {"runs": 3, "values": [0.5709, 0.6646, 0.5389], "mean": 0.5915, "spread": 0.1256}, "repeats_hs": {"runs": 3, "values": [1.3835, 1.2802, 1.2847], "mean": 1.3161, "spread": 0.1034}, "at": 1787373875}, "tier": 1, "relegate_reason": [], "submitted_at": 1787367743, "scored_at": 1787373875, "alerts": [], "rank": 5860}, {"candidate_id": "ODC-07D305", "res_at": 1787561593, "skeleton": "RFFPMZKBOFCVFX", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DIVBENZ01]", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 8.59, "axes": {"activity": 3.38, "binding": 2.64, "selectivity": 0.17, "admet": 0.99, "novelty": 0.75, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.803, "fraction": 0.113}, "binding": {"pIC50": 5.4, "LE": 0.308, "potency_term": 0.132, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.132}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.899, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.558, "herg": 0.705, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 4.802930883032743, "aff_pf": 0.6035548448562622, "aff_hs": 0.7316153049468994, "repeats_pf": {"runs": 3, "values": [0.4466, 0.5412, 0.8229], "mean": 0.6036, "spread": 0.3762}, "repeats_hs": {"runs": 3, "values": [0.9128, 0.635, 0.6471], "mean": 0.7316, "spread": 0.2778}, "at": 1787561593}, "tier": 1, "relegate_reason": [], "submitted_at": 1787552761, "scored_at": 1787561593, "alerts": [], "rank": 5861}, {"candidate_id": "ODC-8DD1D4", "res_at": 1788333309, "skeleton": "RRRLRKZYJAVWOC", "hf_user": "Bio-JS", "display_name": "0902-옥사졸아마이드", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········c2)o1", "total": 8.59, "axes": {"activity": 4.29, "binding": 1.33, "selectivity": 0.0, "admet": 1.38, "novelty": 1.0, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.858, "fraction": 0.143}, "binding": {"pIC50": 4.85, "LE": 0.289, "potency_term": 0.069, "efficiency_cap": 0.964}, "selectivity": {"fold": 2.3, "selectivity_term": 0.181, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.713, "cyp3a4-substrate-carbonmangels": 0.227, "ld50-zhu": 0.635, "herg": 1.0, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 4.857508311935294, "aff_pf": 1.14705757300059, "aff_hs": 1.5098585685094197, "repeats_pf": {"runs": 3, "values": [1.1789, 1.1355, 1.1268], "mean": 1.1471, "spread": 0.0521}, "repeats_hs": {"runs": 3, "values": [1.5071, 1.4506, 1.5719], "mean": 1.5099, "spread": 0.1213}, "at": 1788333309}, "tier": 1, "alerts": [], "total_sd": 0.048, "total_ci95": [8.48, 8.654], "relegate_reason": [], "submitted_at": 1788327426, "scored_at": 1788333309, "rank": 5862}, {"candidate_id": "ODC-5BFAFF", "res_at": 1786897871, "skeleton": "IXMJGZFMJJSGAN", "hf_user": "choa712", "display_name": "lucy", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 8.578, "axes": {"activity": 5.13, "binding": 0.48, "selectivity": 0.0, "admet": 1.25, "novelty": 0.86, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.908, "fraction": 0.171}, "binding": {"pIC50": 4.43, "LE": 0.304, "potency_term": 0.024, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.564, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.364, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.86}}, "run": {"gpu": "3", "pAct_q10": 4.907806881443706, "aff_pf": 1.5676404237747192, "aff_hs": 1.0068657000859578, "repeats_pf": {"runs": 3, "values": [1.4886, 1.5176, 1.6967], "mean": 1.5676, "spread": 0.2082}, "repeats_hs": {"runs": 3, "values": [0.9071, 1.0655, 1.048], "mean": 1.0069, "spread": 0.1584}, "at": 1786897871}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884105, "scored_at": 1786897871, "alerts": [], "rank": 5863}, {"candidate_id": "ODC-E0ED60", "res_at": 1787374069, "skeleton": "DAQAAZPWWHMLOH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nn(C··········F)nc1", "total": 8.564, "axes": {"activity": 4.57, "binding": 0.93, "selectivity": 0.0, "admet": 1.36, "novelty": 0.97, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.874, "fraction": 0.152}, "binding": {"pIC50": 4.74, "LE": 0.27, "potency_term": 0.052, "efficiency_cap": 0.901}, "selectivity": {"fold": 2.2, "selectivity_term": 0.167, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.486, "caco2-wang": 0.946, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.762, "cyp3a4-substrate-carbonmangels": 0.291, "ld50-zhu": 0.594, "herg": 0.478, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.874335614677115, "aff_pf": 1.2631715536117554, "aff_hs": 1.596907377243042, "repeats_pf": {"runs": 3, "values": [1.2154, 1.2856, 1.2885], "mean": 1.2632, "spread": 0.0731}, "repeats_hs": {"runs": 3, "values": [1.6367, 1.4991, 1.6549], "mean": 1.5969, "spread": 0.1558}, "at": 1787374069}, "tier": 1, "relegate_reason": [], "submitted_at": 1787367759, "scored_at": 1787374069, "alerts": [], "rank": 5864}, {"candidate_id": "ODC-8A3BAE", "res_at": 1787022580, "skeleton": "NHIHEQQLZVOXPG", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cnnc··········cnc12", "total": 8.562, "axes": {"activity": 3.62, "binding": 2.47, "selectivity": 0.0, "admet": 1.07, "novelty": 0.83, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.817, "fraction": 0.121}, "binding": {"pIC50": 5.37, "LE": 0.307, "potency_term": 0.123, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.123}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.372, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.614, "ld50-zhu": 0.509, "herg": 0.738, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "2", "pAct_q10": 4.817300232838009, "aff_pf": 0.6302481094996134, "aff_hs": 0.2654385765393575, "repeats_pf": {"runs": 3, "values": [0.609, 0.5328, 0.7489], "mean": 0.6302, "spread": 0.2161}, "repeats_hs": {"runs": 3, "values": [0.2542, 0.2943, 0.2479], "mean": 0.2654, "spread": 0.0464}, "at": 1787022580}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021461, "scored_at": 1787022580, "alerts": [], "rank": 5865}, {"candidate_id": "ODC-D7953E", "res_at": 1787129427, "skeleton": "ANOHTKWFFMUIAH", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "OpenAI Codex GPT5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNc1c(C··········)c1=O", "total": 8.515, "axes": {"activity": 4.21, "binding": 1.7, "selectivity": 0.0, "admet": 1.11, "novelty": 1.05, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.852, "fraction": 0.14}, "binding": {"pIC50": 4.96, "LE": 0.283, "potency_term": 0.09, "efficiency_cap": 0.944}, "selectivity": {"fold": 1.7, "selectivity_term": 0.114, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.547, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 4.852414296482252, "aff_pf": 1.0407485564549763, "aff_hs": 1.268318812052409, "repeats_pf": {"runs": 3, "values": [1.0367, 1.0317, 1.0538], "mean": 1.0407, "spread": 0.0222}, "repeats_hs": {"runs": 3, "values": [1.229, 1.2323, 1.3436], "mean": 1.2683, "spread": 0.1146}, "at": 1787129427}, "tier": 1, "relegate_reason": [], "submitted_at": 1787117174, "scored_at": 1787129427, "alerts": [], "rank": 5866}, {"candidate_id": "ODC-BD28E5", "res_at": 1787028616, "skeleton": "DNJQBEAXPGELOY", "hf_user": "SUSU01010", "display_name": "SU", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········)(F)F", "total": 8.512, "axes": {"activity": 4.12, "binding": 1.62, "selectivity": 0.0, "admet": 1.23, "novelty": 0.95, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.847, "fraction": 0.137}, "binding": {"pIC50": 5.31, "LE": 0.235, "potency_term": 0.103, "efficiency_cap": 0.782}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.103}, "admet": {"geometric_mean": 0.597, "per_endpoint": {"solubility-aqsoldb": 0.662, "caco2-wang": 0.881, "hia-hou": 0.473, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.894, "ld50-zhu": 0.544, "herg": 0.437, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 4.847158609895171, "aff_pf": 0.689568837483724, "aff_hs": 0.63442063331604, "repeats_pf": {"runs": 3, "values": [0.8034, 0.6391, 0.6261], "mean": 0.6896, "spread": 0.1773}, "repeats_hs": {"runs": 3, "values": [0.6213, 0.7743, 0.5077], "mean": 0.6344, "spread": 0.2667}, "at": 1787028616}, "tier": 1, "relegate_reason": [], "submitted_at": 1787026675, "scored_at": 1787028616, "alerts": [], "rank": 5867}, {"candidate_id": "ODC-636408", "res_at": 1787030397, "skeleton": "ZGINMKFYFYUPOU", "hf_user": "epicsaga", "display_name": "PFD-08", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········[nH]1", "total": 8.486, "axes": {"activity": 1.36, "binding": 3.32, "selectivity": 0.59, "admet": 1.39, "novelty": 1.03, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.045}, "binding": {"pIC50": 5.5, "LE": 0.359, "potency_term": 0.166, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.993, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.804, "cyp3a4-substrate-carbonmangels": 0.302, "ld50-zhu": 0.503, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.6817972376541865, "aff_pf": 0.5024311939875284, "aff_hs": 0.8568480014801025, "repeats_pf": {"runs": 3, "values": [0.4617, 0.5504, 0.4953], "mean": 0.5024, "spread": 0.0887}, "repeats_hs": {"runs": 3, "values": [0.8271, 0.7857, 0.9577], "mean": 0.8568, "spread": 0.172}, "at": 1787030397}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029700, "scored_at": 1787030397, "alerts": [], "rank": 5868}, {"candidate_id": "ODC-2D4FBF", "res_at": 1788315533, "skeleton": "QYSVZNVGNZNILP", "hf_user": "Hyeon-Min", "display_name": "Qoka", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········)(F)F", "total": 8.469, "axes": {"activity": 2.85, "binding": 2.48, "selectivity": 0.83, "admet": 0.95, "novelty": 0.74, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.771, "fraction": 0.095}, "binding": {"pIC50": 5.37, "LE": 0.307, "potency_term": 0.124, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.7, "selectivity_term": 0.336, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.369, "cyp3a4-substrate-carbonmangels": 0.285, "ld50-zhu": 0.489, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 4.770760662592291, "aff_pf": 0.6286280949910482, "aff_hs": 1.2999833424886067, "repeats_pf": {"runs": 3, "values": [0.6263, 0.6021, 0.6575], "mean": 0.6286, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [1.307, 1.373, 1.22], "mean": 1.3, "spread": 0.1531}, "at": 1788315533}, "tier": 1, "alerts": [], "total_sd": 0.213, "total_ci95": [7.999, 8.868], "relegate_reason": [], "submitted_at": 1788315060, "scored_at": 1788315533, "rank": 5869}, {"candidate_id": "ODC-87E557", "res_at": 1786884342, "skeleton": "QOYMEJZXUGJHPW", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas Drug Agent", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········2c1=O", "total": 8.443, "axes": {"activity": 4.86, "binding": 0.9, "selectivity": 0.0, "admet": 1.13, "novelty": 0.92, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 4.892, "fraction": 0.162}, "binding": {"pIC50": 4.74, "LE": 0.26, "potency_term": 0.052, "efficiency_cap": 0.865}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.875, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.816, "herg": 0.482, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "2", "pAct_q10": 4.8918572248675405, "aff_pf": 1.2629489103953044, "aff_hs": 0.6245748003323873, "repeats_pf": {"runs": 3, "values": [1.2726, 1.2979, 1.2183], "mean": 1.2629, "spread": 0.0795}, "repeats_hs": {"runs": 3, "values": [0.5426, 0.6405, 0.6906], "mean": 0.6246, "spread": 0.1479}, "at": 1786884342}, "tier": 1, "relegate_reason": [], "submitted_at": 1786877782, "scored_at": 1786884342, "alerts": [], "rank": 5870}, {"candidate_id": "ODC-5AC818", "res_at": 1786990292, "skeleton": "QUAZOMZWBOQFRB", "hf_user": "polarbearsong", "display_name": "ODC-R2-09-benzamide-dichloropyridinyl", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C#··········nc1Cl", "total": 8.435, "axes": {"activity": 2.59, "binding": 2.86, "selectivity": 0.39, "admet": 0.97, "novelty": 0.9, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.542, "fraction": 0.086}, "binding": {"pIC50": 5.43, "LE": 0.372, "potency_term": 0.143, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.137, "target_engagement": 0.143}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.141, "ld50-zhu": 0.294, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "2", "pAct_q10": 4.5415711163456205, "aff_pf": 0.5708996653556824, "aff_hs": 0.844428022702535, "repeats_pf": {"runs": 3, "values": [0.553, 0.6088, 0.5509], "mean": 0.5709, "spread": 0.0579}, "repeats_hs": {"runs": 3, "values": [0.8227, 0.712, 0.9986], "mean": 0.8444, "spread": 0.2866}, "at": 1786990292}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984843, "scored_at": 1786990292, "alerts": [], "rank": 5871}, {"candidate_id": "ODC-727444", "res_at": 1788890308, "skeleton": "NTAPPDMVEGHZLD", "hf_user": "trblnfxn", "display_name": "DZB-CF3", "model_name": "DZB-v1-docking", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 8.418, "axes": {"activity": 5.06, "binding": 0.55, "selectivity": 0.0, "admet": 1.01, "novelty": 1.1, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.904, "fraction": 0.169}, "binding": {"pIC50": 5.1, "LE": 0.259, "potency_term": 0.032, "efficiency_cap": 0.862}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.032}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.54, "herg": 0.058, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 4.903652095842653, "aff_pf": 0.9044086734453837, "aff_hs": 0.5479224721590678, "repeats_pf": {"runs": 3, "values": [0.8975, 0.8896, 0.9261], "mean": 0.9044, "spread": 0.0364}, "repeats_hs": {"runs": 3, "values": [0.566, 0.6362, 0.4416], "mean": 0.5479, "spread": 0.1946}, "at": 1788890308}, "tier": 1, "alerts": [], "total_sd": 0.057, "total_ci95": [8.292, 8.505], "relegate_reason": [], "submitted_at": 1788889039, "scored_at": 1788890308, "rank": 5872}, {"candidate_id": "ODC-617036", "res_at": 1788890933, "skeleton": "JFGGMBYUVONXBU", "hf_user": "trblnfxn", "display_name": "DZB-CF3", "model_name": "DZB-v1-docking", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 8.407, "axes": {"activity": 4.95, "binding": 0.75, "selectivity": 0.0, "admet": 1.0, "novelty": 1.0, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.897, "fraction": 0.165}, "binding": {"pIC50": 4.7, "LE": 0.238, "potency_term": 0.047, "efficiency_cap": 0.795}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.403, "per_endpoint": {"solubility-aqsoldb": 0.37, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.542, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.03}}, "run": {"gpu": "0", "pAct_q10": 4.897221595603247, "aff_pf": 1.300231138865153, "aff_hs": 1.0594341953595479, "repeats_pf": {"runs": 3, "values": [1.2879, 1.3098, 1.303], "mean": 1.3002, "spread": 0.0219}, "repeats_hs": {"runs": 3, "values": [1.0988, 0.9676, 1.1119], "mean": 1.0594, "spread": 0.1443}, "at": 1788890933}, "tier": 1, "alerts": [], "total_sd": 0.011, "total_ci95": [8.387, 8.432], "relegate_reason": [], "submitted_at": 1788889045, "scored_at": 1788890933, "rank": 5873}, {"candidate_id": "ODC-8F1E73", "res_at": 1786961707, "skeleton": "ZMLLPFWNYUZKKT", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc(··········C(C)C", "total": 8.398, "axes": {"activity": 4.38, "binding": 1.51, "selectivity": 0.0, "admet": 1.06, "novelty": 0.81, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.863, "fraction": 0.146}, "binding": {"pIC50": 4.94, "LE": 0.261, "potency_term": 0.087, "efficiency_cap": 0.868}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.357, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.856, "herg": 0.342, "dili": 0.236}}, "novelty": {"max_tanimoto": 0.447, "novelty": 0.553}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.862940975888028, "aff_pf": 1.0555459260940552, "aff_hs": 1.00709468126297, "repeats_pf": {"runs": 3, "values": [0.8989, 1.0076, 1.2601], "mean": 1.0555, "spread": 0.3612}, "repeats_hs": {"runs": 3, "values": [1.0241, 1.0023, 0.9949], "mean": 1.0071, "spread": 0.0292}, "at": 1786961707}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959837, "scored_at": 1786961707, "alerts": [], "rank": 5874}, {"candidate_id": "ODC-48167B", "res_at": 1786938710, "skeleton": "LFXNZYLFVYXAJO", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)cc1", "total": 8.392, "axes": {"activity": 5.2, "binding": 0.11, "selectivity": 0.0, "admet": 1.18, "novelty": 1.04, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.912, "fraction": 0.173}, "binding": {"pIC50": 4.05, "LE": 0.173, "potency_term": 0.009, "efficiency_cap": 0.578}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.455, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.406, "hia-hou": 0.989, "bioavailability-ma": 0.122, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.417, "herg": 0.325, "dili": 0.853}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "2", "pAct_q10": 4.911704595748386, "aff_pf": 1.951202392578125, "aff_hs": 2.0100637674331665, "repeats_pf": {"runs": 3, "values": [1.9502, 1.9416, 1.9618], "mean": 1.9512, "spread": 0.0202}, "repeats_hs": {"runs": 3, "values": [2.0039, 1.9838, 2.0425], "mean": 2.0101, "spread": 0.0587}, "at": 1786938710}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926650, "scored_at": 1786938710, "alerts": [], "rank": 5875}, {"candidate_id": "ODC-19D3A5", "res_at": 1788442836, "skeleton": "IGBSKXVPYNICMQ", "hf_user": "Lauhel", "display_name": "MaryWorld", "model_name": "Mary 8B", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnn12", "total": 8.388, "axes": {"activity": 4.25, "binding": 1.38, "selectivity": 0.3, "admet": 0.99, "novelty": 0.77, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.855, "fraction": 0.142}, "binding": {"pIC50": 5.21, "LE": 0.297, "potency_term": 0.07, "efficiency_cap": 0.991}, "selectivity": {"fold": 2.7, "selectivity_term": 0.217, "target_engagement": 0.07}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.983, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.18, "ld50-zhu": 0.385, "herg": 0.327, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.459, "novelty": 0.541}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "0", "pAct_q10": 4.855038639683073, "aff_pf": 0.7914129694302877, "aff_hs": 1.2246474822362263, "repeats_pf": {"runs": 3, "values": [0.8001, 0.7996, 0.7746], "mean": 0.7914, "spread": 0.0255}, "repeats_hs": {"runs": 3, "values": [1.2768, 1.3255, 1.0717], "mean": 1.2246, "spread": 0.2538}, "at": 1788442836}, "tier": 1, "alerts": [], "total_sd": 0.08, "total_ci95": [8.256, 8.541], "relegate_reason": [], "submitted_at": 1788364530, "scored_at": 1788442836, "rank": 5876}, {"candidate_id": "ODC-D9C41A", "res_at": 1787124226, "skeleton": "RKDRLCXUEPKBCH", "hf_user": "polarbearsong", "display_name": "ODC-R3-01-imidazopyrimidine-H", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 8.369, "axes": {"activity": 2.74, "binding": 2.47, "selectivity": 1.07, "admet": 1.02, "novelty": 0.45, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.564, "fraction": 0.091}, "binding": {"pIC50": 5.37, "LE": 0.387, "potency_term": 0.123, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.4, "selectivity_term": 0.435, "target_engagement": 0.123}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.489, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.682, "cyp3a4-substrate-carbonmangels": 0.188, "ld50-zhu": 0.294, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.633, "novelty": 0.367}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 4.563585503817193, "aff_pf": 0.6300549507141113, "aff_hs": 1.500980019569397, "repeats_pf": {"runs": 3, "values": [0.6024, 0.6734, 0.6144], "mean": 0.6301, "spread": 0.071}, "repeats_hs": {"runs": 3, "values": [1.4954, 1.5177, 1.4899], "mean": 1.501, "spread": 0.0278}, "at": 1787124226}, "tier": 1, "relegate_reason": [], "submitted_at": 1787107809, "scored_at": 1787124226, "alerts": [], "rank": 5877}, {"candidate_id": "ODC-CCCFD5", "res_at": 1788504705, "skeleton": "AOUYZNOMPDELPA", "hf_user": "dlghkdueo", "display_name": "R6-E1", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)c1F", "total": 8.366, "axes": {"activity": 1.37, "binding": 3.14, "selectivity": 0.76, "admet": 1.34, "novelty": 0.97, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.046}, "binding": {"pIC50": 5.47, "LE": 0.357, "potency_term": 0.157, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.501, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.348, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 4.6821479853915555, "aff_pf": 0.5282769203186035, "aff_hs": 1.0088678399721782, "repeats_pf": {"runs": 3, "values": [0.5539, 0.6026, 0.4284], "mean": 0.5283, "spread": 0.1742}, "repeats_hs": {"runs": 3, "values": [0.9533, 1.0601, 1.0132], "mean": 1.0089, "spread": 0.1068}, "at": 1788504705}, "tier": 1, "alerts": [], "total_sd": 0.65, "total_ci95": [7.212, 9.42], "relegate_reason": [], "submitted_at": 1788448194, "scored_at": 1788504705, "rank": 5878}, {"candidate_id": "ODC-9240FB", "res_at": 1787076574, "skeleton": "BHQMPEPNDGCCTG", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCN(··········N)CC1", "total": 8.351, "axes": {"activity": 4.08, "binding": 1.33, "selectivity": 0.0, "admet": 1.33, "novelty": 0.94, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.845, "fraction": 0.136}, "binding": {"pIC50": 4.88, "LE": 0.268, "potency_term": 0.074, "efficiency_cap": 0.892}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.653, "per_endpoint": {"solubility-aqsoldb": 0.998, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.695, "ld50-zhu": 0.538, "herg": 0.05, "dili": 0.303}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.844554361194559, "aff_pf": 1.1181915998458862, "aff_hs": 1.50521981716156, "repeats_pf": {"runs": 3, "values": [1.2277, 1.1081, 1.0188], "mean": 1.1182, "spread": 0.2089}, "repeats_hs": {"runs": 3, "values": [1.479, 1.4508, 1.5859], "mean": 1.5052, "spread": 0.1351}, "at": 1787076574}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066263, "scored_at": 1787076574, "alerts": [], "rank": 5879}, {"candidate_id": "ODC-31974D", "res_at": 1787073920, "skeleton": "GZYARMKFZCCTFM", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "c1cc2cc··········cn2n1", "total": 8.349, "axes": {"activity": 1.28, "binding": 3.27, "selectivity": 0.35, "admet": 1.45, "novelty": 1.18, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.258, "fraction": 0.043}, "binding": {"pIC50": 5.49, "LE": 0.396, "potency_term": 0.164, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.108, "target_engagement": 0.164}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.705, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.559, "cyp3a4-substrate-carbonmangels": 0.974, "ld50-zhu": 0.29, "herg": 0.461, "dili": 0.18}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.258380090658347, "aff_pf": 0.5092704097429911, "aff_hs": 0.7254137198130289, "repeats_pf": {"runs": 3, "values": [0.4358, 0.5582, 0.5338], "mean": 0.5093, "spread": 0.1223}, "repeats_hs": {"runs": 3, "values": [0.7399, 0.7311, 0.7053], "mean": 0.7254, "spread": 0.0346}, "at": 1787073920}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066113, "scored_at": 1787073920, "alerts": [], "rank": 5880}, {"candidate_id": "ODC-75D26F", "res_at": 1787871703, "skeleton": "AWRRQQIXHOKVMT", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CNC··········)CCC1", "total": 8.342, "axes": {"activity": 2.72, "binding": 2.77, "selectivity": 0.05, "admet": 1.27, "novelty": 1.0, "synthesis": 0.54}, "detail": {"activity": {"pAct_q10": 4.561, "fraction": 0.091}, "binding": {"pIC50": 5.42, "LE": 0.337, "potency_term": 0.138, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.018, "target_engagement": 0.138}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.707, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.879, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.41, "herg": 0.184, "dili": 0.531}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 4.560612349213983, "aff_pf": 0.5849369764328003, "aff_hs": 0.6213942964871725, "repeats_pf": {"runs": 3, "values": [0.4287, 0.6576, 0.6685], "mean": 0.5849, "spread": 0.2398}, "repeats_hs": {"runs": 3, "values": [0.8179, 0.5227, 0.5237], "mean": 0.6214, "spread": 0.2952}, "at": 1787853863}, "tier": 1, "relegate_reason": [], "submitted_at": 1787799713, "scored_at": 1787853863, "alerts": [], "rank": 5881}, {"candidate_id": "ODC-121FE8", "res_at": 1787016250, "skeleton": "TYYJAHIFTUKAAG", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(C··········CCCC1", "total": 8.328, "axes": {"activity": 2.74, "binding": 2.87, "selectivity": 0.08, "admet": 1.03, "novelty": 0.92, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.764, "fraction": 0.091}, "binding": {"pIC50": 5.43, "LE": 0.298, "potency_term": 0.145, "efficiency_cap": 0.993}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.145}, "admet": {"geometric_mean": 0.477, "per_endpoint": {"solubility-aqsoldb": 0.411, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.55, "herg": 0.05, "dili": 0.196}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 4.764499559019833, "aff_pf": 0.566074957450231, "aff_hs": 0.6240311165650686, "repeats_pf": {"runs": 3, "values": [0.6271, 0.6226, 0.4486], "mean": 0.5661, "spread": 0.1785}, "repeats_hs": {"runs": 3, "values": [0.8352, 0.5641, 0.4728], "mean": 0.624, "spread": 0.3625}, "at": 1787016250}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016047, "scored_at": 1787016250, "alerts": [], "rank": 5882}, {"candidate_id": "ODC-2EA60D", "res_at": 1787191265, "skeleton": "ORCYQHMSVFWJIS", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········(C)=O", "total": 8.312, "axes": {"activity": 5.21, "binding": 0.32, "selectivity": 0.0, "admet": 0.9, "novelty": 1.14, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.913, "fraction": 0.174}, "binding": {"pIC50": 4.36, "LE": 0.239, "potency_term": 0.02, "efficiency_cap": 0.796}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.343, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.262, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.293, "herg": 0.05, "dili": 0.19}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 3.0}}, "run": {"gpu": "3", "pAct_q10": 4.9127891374877795, "aff_pf": 1.6431914170583088, "aff_hs": 1.7712303400039673, "repeats_pf": {"runs": 3, "values": [1.4944, 1.769, 1.6662], "mean": 1.6432, "spread": 0.2746}, "repeats_hs": {"runs": 3, "values": [1.763, 1.7948, 1.7559], "mean": 1.7712, "spread": 0.0389}, "at": 1787191265}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188725, "scored_at": 1787191265, "alerts": [], "rank": 5883}, {"candidate_id": "ODC-891F35", "res_at": 1786843418, "skeleton": "LHQZSUPFVAPLQN", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCN(C(=··········2)cs1", "total": 8.305, "axes": {"activity": 4.17, "binding": 1.33, "selectivity": 0.0, "admet": 1.22, "novelty": 0.89, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.85, "fraction": 0.139}, "binding": {"pIC50": 4.84, "LE": 0.331, "potency_term": 0.067, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.579, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.627, "ld50-zhu": 0.308, "herg": 1.0, "dili": 0.306}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "1", "pAct_q10": 4.850161602048035, "aff_pf": 1.1625502109527588, "aff_hs": 1.2571996450424194, "repeats_pf": {"runs": 3, "values": [1.1466, 1.1961, 1.145], "mean": 1.1626, "spread": 0.051}, "repeats_hs": {"runs": 3, "values": [1.2699, 1.1889, 1.3128], "mean": 1.2572, "spread": 0.1239}, "at": 1786843418}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833768, "scored_at": 1786843418, "alerts": [], "rank": 5884}, {"candidate_id": "ODC-700D4B", "res_at": 1789227913, "skeleton": "HEONTFOZHBBURB", "hf_user": "Bio-JS", "display_name": "0913-S1-div03", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········3)cc1", "total": 8.241, "axes": {"activity": 3.93, "binding": 1.79, "selectivity": 0.0, "admet": 1.18, "novelty": 0.76, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.836, "fraction": 0.131}, "binding": {"pIC50": 5.27, "LE": 0.344, "potency_term": 0.089, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.554, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.927, "ld50-zhu": 0.408, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 4.835520041361103, "aff_pf": 0.7321133812268575, "aff_hs": 0.5121670067310333, "repeats_pf": {"runs": 3, "values": [0.7127, 0.7259, 0.7577], "mean": 0.7321, "spread": 0.0449}, "repeats_hs": {"runs": 3, "values": [0.5315, 0.4645, 0.5405], "mean": 0.5122, "spread": 0.076}, "at": 1789227913}, "tier": 1, "alerts": [], "total_sd": 0.072, "total_ci95": [8.071, 8.371], "relegate_reason": [], "submitted_at": 1789226282, "scored_at": 1789227913, "rank": 5885}, {"candidate_id": "ODC-3F231D", "res_at": 1789322835, "skeleton": "FCDAULNLNJVTDZ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 8.196, "axes": {"activity": 2.27, "binding": 2.89, "selectivity": 0.0, "admet": 1.36, "novelty": 0.96, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.736, "fraction": 0.076}, "binding": {"pIC50": 5.43, "LE": 0.338, "potency_term": 0.144, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.144}, "admet": {"geometric_mean": 0.629, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.941, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.197, "ld50-zhu": 0.706, "herg": 0.721, "dili": 0.158}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "0", "pAct_q10": 4.73590807287663, "aff_pf": 0.5671199162801107, "aff_hs": 0.09882849703232448, "repeats_pf": {"runs": 3, "values": [0.4337, 0.5023, 0.7653], "mean": 0.5671, "spread": 0.3316}, "repeats_hs": {"runs": 3, "values": [-0.0153, 0.1837, 0.1282], "mean": 0.0988, "spread": 0.199}, "at": 1789322835}, "tier": 1, "alerts": [], "total_sd": 1.073, "total_ci95": [6.682, 10.024], "relegate_reason": [], "submitted_at": 1789317684, "scored_at": 1789322835, "rank": 5886}, {"candidate_id": "ODC-FB22BF", "res_at": 1787058431, "skeleton": "OVPDWMWAHBSXEK", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········O)n2C", "total": 8.176, "axes": {"activity": 4.31, "binding": 1.46, "selectivity": 0.11, "admet": 0.67, "novelty": 0.91, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.858, "fraction": 0.144}, "binding": {"pIC50": 5.27, "LE": 0.241, "potency_term": 0.091, "efficiency_cap": 0.803}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.616, "cyp3a4-substrate-carbonmangels": 0.203, "ld50-zhu": 0.47, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 4.858429665041189, "aff_pf": 0.7266834775606791, "aff_hs": 0.8489275376001993, "repeats_pf": {"runs": 3, "values": [0.7816, 0.757, 0.6414], "mean": 0.7267, "spread": 0.1402}, "repeats_hs": {"runs": 3, "values": [0.6335, 0.9769, 0.9364], "mean": 0.8489, "spread": 0.3434}, "at": 1787058431}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057463, "scored_at": 1787058431, "alerts": [], "rank": 5887}, {"candidate_id": "ODC-3CC64F", "res_at": 1789079962, "skeleton": "QJXDDIHEZKCHHC", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)c2c1", "total": 8.175, "axes": {"activity": 2.31, "binding": 2.42, "selectivity": 1.54, "admet": 0.58, "novelty": 0.73, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.738, "fraction": 0.077}, "binding": {"pIC50": 5.45, "LE": 0.241, "potency_term": 0.151, "efficiency_cap": 0.803}, "selectivity": {"fold": 10.4, "selectivity_term": 0.509, "target_engagement": 0.151}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.558, "herg": 0.05, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.398, "novelty": 0.602}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 4.738426157045956, "aff_pf": 0.5473597248395284, "aff_hs": 1.565701683362325, "repeats_pf": {"runs": 3, "values": [0.5421, 0.4575, 0.6425], "mean": 0.5474, "spread": 0.185}, "repeats_hs": {"runs": 3, "values": [1.4585, 1.7106, 1.528], "mean": 1.5657, "spread": 0.2522}, "at": 1789079962}, "tier": 1, "alerts": [], "total_sd": 0.666, "total_ci95": [7.113, 9.588], "relegate_reason": [], "submitted_at": 1789046057, "scored_at": 1789079962, "rank": 5888}, {"candidate_id": "ODC-0432C4", "res_at": 1787249125, "skeleton": "QFXGIHSNALQJLF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(c··········)(F)F", "total": 8.174, "axes": {"activity": 4.67, "binding": 0.52, "selectivity": 0.06, "admet": 1.08, "novelty": 1.06, "synthesis": 0.78}, "detail": {"activity": {"pAct_q10": 4.88, "fraction": 0.156}, "binding": {"pIC50": 5.08, "LE": 0.29, "potency_term": 0.027, "efficiency_cap": 0.967}, "selectivity": {"fold": 1.6, "selectivity_term": 0.107, "target_engagement": 0.027}, "admet": {"geometric_mean": 0.46, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.698, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.187, "ld50-zhu": 0.537, "herg": 0.076, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.880471921517306, "aff_pf": 0.9190718531608582, "aff_hs": 1.1333784262339275, "repeats_pf": {"runs": 3, "values": [0.9242, 0.9901, 0.843], "mean": 0.9191, "spread": 0.1471}, "repeats_hs": {"runs": 3, "values": [1.2037, 1.1176, 1.0788], "mean": 1.1334, "spread": 0.1249}, "at": 1787249125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787241882, "scored_at": 1787249125, "alerts": [], "rank": 5889}, {"candidate_id": "ODC-37BD6E", "res_at": 1787553098, "skeleton": "KTSCHGOWCCXQKI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)o1", "total": 8.174, "axes": {"activity": 4.58, "binding": 0.48, "selectivity": 0.0, "admet": 1.3, "novelty": 1.16, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.875, "fraction": 0.153}, "binding": {"pIC50": 4.44, "LE": 0.29, "potency_term": 0.025, "efficiency_cap": 0.966}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.47, "caco2-wang": 0.802, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.762, "cyp3a4-substrate-carbonmangels": 0.21, "ld50-zhu": 0.416, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 4.874990968568377, "aff_pf": 1.55997633934021, "aff_hs": 1.1847674051920574, "repeats_pf": {"runs": 3, "values": [1.5592, 1.5719, 1.5489], "mean": 1.56, "spread": 0.023}, "repeats_hs": {"runs": 3, "values": [1.2624, 1.0549, 1.237], "mean": 1.1848, "spread": 0.2074}, "at": 1787553098}, "tier": 1, "relegate_reason": [], "submitted_at": 1787533138, "scored_at": 1787553098, "alerts": [], "rank": 5890}, {"candidate_id": "ODC-1B0EA9", "res_at": 1788503571, "skeleton": "WKMXPBOKHCINNL", "hf_user": "dlghkdueo", "display_name": "R6-C0", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 8.163, "axes": {"activity": 1.53, "binding": 3.27, "selectivity": 0.33, "admet": 1.31, "novelty": 0.9, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.692, "fraction": 0.051}, "binding": {"pIC50": 5.49, "LE": 0.376, "potency_term": 0.164, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.164}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.239, "caco2-wang": 0.895, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.494, "cyp3a4-substrate-carbonmangels": 0.743, "ld50-zhu": 0.312, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.452, "novelty": 0.548}, "synthesis": {"sa_score": 1.94}}, "run": {"gpu": "0", "pAct_q10": 4.692043629104924, "aff_pf": 0.5091027518113455, "aff_hs": 0.7115038633346558, "repeats_pf": {"runs": 3, "values": [0.6193, 0.4511, 0.4569], "mean": 0.5091, "spread": 0.1682}, "repeats_hs": {"runs": 3, "values": [0.7003, 0.7011, 0.733], "mean": 0.7115, "spread": 0.0327}, "at": 1788503571}, "tier": 1, "alerts": [], "total_sd": 0.7, "total_ci95": [6.535, 9.053], "relegate_reason": [], "submitted_at": 1788447659, "scored_at": 1788503571, "rank": 5891}, {"candidate_id": "ODC-A395E9", "res_at": 1789894402, "skeleton": "WJRRJUXGXZGJDA", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 8.086, "axes": {"activity": 4.32, "binding": 0.87, "selectivity": 0.0, "admet": 1.24, "novelty": 0.94, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.859, "fraction": 0.144}, "binding": {"pIC50": 4.67, "LE": 0.355, "potency_term": 0.043, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.007, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.456, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.875, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.453, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "2", "pAct_q10": 4.8590874562466295, "aff_pf": 1.3330234289169312, "aff_hs": 1.3471737305323284, "repeats_pf": {"runs": 3, "values": [1.3678, 1.1848, 1.4465], "mean": 1.333, "spread": 0.2617}, "repeats_hs": {"runs": 3, "values": [1.3841, 1.2992, 1.3582], "mean": 1.3472, "spread": 0.0849}, "at": 1789894402}, "tier": 1, "alerts": [], "total_sd": 0.144, "total_ci95": [7.871, 8.477], "relegate_reason": [], "submitted_at": 1789689684, "scored_at": 1789894402, "rank": 5892}, {"candidate_id": "ODC-416E7F", "res_at": 1787119866, "skeleton": "MDPQLTZJZBVHCR", "hf_user": "Ku-ku", "display_name": "NCA20260819_001", "model_name": "novel-core/amide-coupling/maxmin", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········[nH]1", "total": 8.073, "axes": {"activity": 4.54, "binding": 1.14, "selectivity": 0.0, "admet": 0.78, "novelty": 0.86, "synthesis": 0.76}, "detail": {"activity": {"pAct_q10": 4.872, "fraction": 0.151}, "binding": {"pIC50": 4.83, "LE": 0.264, "potency_term": 0.065, "efficiency_cap": 0.882}, "selectivity": {"fold": 1.1, "selectivity_term": 0.022, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.724, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.446, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.756, "ld50-zhu": 0.338, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.432, "novelty": 0.568}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "3", "pAct_q10": 4.872339976273376, "aff_pf": 1.1737970113754272, "aff_hs": 1.2172468900680542, "repeats_pf": {"runs": 3, "values": [1.0854, 1.2262, 1.2098], "mean": 1.1738, "spread": 0.1408}, "repeats_hs": {"runs": 3, "values": [1.2645, 1.1686, 1.2187], "mean": 1.2172, "spread": 0.0959}, "at": 1787119866}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102425, "scored_at": 1787119866, "alerts": [], "rank": 5893}, {"candidate_id": "ODC-331EBE", "res_at": 1787638902, "skeleton": "WARCPXIOODUKOG", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(O··········l)cc1", "total": 8.072, "axes": {"activity": 4.28, "binding": 1.11, "selectivity": 0.0, "admet": 1.27, "novelty": 0.71, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.857, "fraction": 0.143}, "binding": {"pIC50": 4.76, "LE": 0.311, "potency_term": 0.056, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.745, "caco2-wang": 0.986, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.422, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.386, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 4.856818249320618, "aff_pf": 1.2353877623875935, "aff_hs": 1.039730707804362, "repeats_pf": {"runs": 3, "values": [1.1768, 1.2366, 1.2928], "mean": 1.2354, "spread": 0.116}, "repeats_hs": {"runs": 3, "values": [1.1524, 0.9965, 0.9703], "mean": 1.0397, "spread": 0.182}, "at": 1787638902}, "tier": 1, "relegate_reason": [], "submitted_at": 1787637136, "scored_at": 1787638902, "alerts": [], "rank": 5894}, {"candidate_id": "ODC-F8C5D4", "res_at": 1789507718, "skeleton": "PJUGMVGLRNITCZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 8.061, "axes": {"activity": 4.06, "binding": 1.34, "selectivity": 0.0, "admet": 1.29, "novelty": 0.69, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.844, "fraction": 0.135}, "binding": {"pIC50": 4.84, "LE": 0.368, "potency_term": 0.067, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.067, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.637, "per_endpoint": {"solubility-aqsoldb": 0.571, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.901, "cyp3a4-substrate-carbonmangels": 0.083, "ld50-zhu": 0.304, "herg": 0.513, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.08}}, "run": {"gpu": "0", "pAct_q10": 4.843606024281556, "aff_pf": 1.159236192703247, "aff_hs": 1.2937780618667603, "repeats_pf": {"runs": 3, "values": [1.2037, 1.1119, 1.1621], "mean": 1.1592, "spread": 0.0918}, "repeats_hs": {"runs": 3, "values": [1.283, 1.467, 1.1313], "mean": 1.2938, "spread": 0.3357}, "at": 1789507718}, "tier": 1, "alerts": [], "total_sd": 0.078, "total_ci95": [7.919, 8.229], "relegate_reason": [], "submitted_at": 1789495212, "scored_at": 1789507718, "rank": 5895}, {"candidate_id": "ODC-400256", "res_at": 1788553021, "skeleton": "GSJZUHWGHPJEJW", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 8.059, "axes": {"activity": 4.7, "binding": 0.94, "selectivity": 0.0, "admet": 1.17, "novelty": 0.57, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.882, "fraction": 0.157}, "binding": {"pIC50": 5.15, "LE": 0.282, "potency_term": 0.05, "efficiency_cap": 0.941}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.05}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.235, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.493, "cyp3a4-substrate-carbonmangels": 0.346, "ld50-zhu": 0.487, "herg": 0.343, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.636, "novelty": 0.364}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "0", "pAct_q10": 4.8820880576459915, "aff_pf": 0.8494956294695536, "aff_hs": 0.43854957818984985, "repeats_pf": {"runs": 3, "values": [0.7704, 0.8712, 0.9069], "mean": 0.8495, "spread": 0.1366}, "repeats_hs": {"runs": 3, "values": [0.282, 0.5328, 0.5009], "mean": 0.4385, "spread": 0.2508}, "at": 1788553021}, "tier": 1, "alerts": [], "total_sd": 0.208, "total_ci95": [7.692, 8.355], "relegate_reason": [], "submitted_at": 1788549002, "scored_at": 1788553021, "rank": 5896}, {"candidate_id": "ODC-CDED63", "res_at": 1786846070, "skeleton": "JNQNGFXAMUBVAE", "hf_user": "JANE77-7", "display_name": "J-7", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C1Nc2··········C1CC1", "total": 8.037, "axes": {"activity": 4.82, "binding": 0.39, "selectivity": 0.0, "admet": 1.08, "novelty": 1.19, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.889, "fraction": 0.161}, "binding": {"pIC50": 4.43, "LE": 0.243, "potency_term": 0.024, "efficiency_cap": 0.81}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.71, "herg": 0.286, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "2", "pAct_q10": 4.889291637999483, "aff_pf": 1.5658955574035645, "aff_hs": 1.2364691098531086, "repeats_pf": {"runs": 3, "values": [1.6933, 1.5836, 1.4208], "mean": 1.5659, "spread": 0.2725}, "repeats_hs": {"runs": 3, "values": [1.064, 1.0665, 1.579], "mean": 1.2365, "spread": 0.515}, "at": 1786846070}, "tier": 1, "relegate_reason": [], "submitted_at": 1786842551, "scored_at": 1786846070, "alerts": [], "rank": 5897}, {"candidate_id": "ODC-4613BB", "res_at": 1786946990, "skeleton": "NWMRQYZFWQJOJQ", "hf_user": "takutoyo", "display_name": "PfD-02", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cn··········)nn12", "total": 8.034, "axes": {"activity": 4.68, "binding": 0.69, "selectivity": 0.0, "admet": 0.9, "novelty": 1.02, "synthesis": 0.75}, "detail": {"activity": {"pAct_q10": 4.881, "fraction": 0.156}, "binding": {"pIC50": 4.62, "LE": 0.264, "potency_term": 0.039, "efficiency_cap": 0.88}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.41, "caco2-wang": 0.954, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.071, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.486, "herg": 0.148, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 4.880734308316057, "aff_pf": 1.3771819670995076, "aff_hs": 1.2182081937789917, "repeats_pf": {"runs": 3, "values": [1.4251, 1.5338, 1.1726], "mean": 1.3772, "spread": 0.3611}, "repeats_hs": {"runs": 3, "values": [1.1448, 1.1835, 1.3264], "mean": 1.2182, "spread": 0.1816}, "at": 1786946990}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935181, "scored_at": 1786946990, "alerts": [], "rank": 5898}, {"candidate_id": "ODC-9FB9A2", "res_at": 1788566535, "skeleton": "AESGQTUCYGGUDG", "hf_user": "Lauhel", "display_name": "Mary", "model_name": "Mary", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CNc1ncc··········2C)n1", "total": 8.011, "axes": {"activity": 3.86, "binding": 1.49, "selectivity": 0.0, "admet": 1.21, "novelty": 0.81, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.832, "fraction": 0.129}, "binding": {"pIC50": 4.88, "LE": 0.372, "potency_term": 0.075, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.219, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.556, "caco2-wang": 0.872, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.875, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.47, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "0", "pAct_q10": 4.831874313572023, "aff_pf": 1.117545525232951, "aff_hs": 1.556402603785197, "repeats_pf": {"runs": 3, "values": [1.0794, 1.0711, 1.2022], "mean": 1.1175, "spread": 0.131}, "repeats_hs": {"runs": 3, "values": [1.5983, 1.5165, 1.5545], "mean": 1.5564, "spread": 0.0818}, "at": 1788566535}, "tier": 1, "alerts": [], "total_sd": 0.128, "total_ci95": [7.727, 8.195], "relegate_reason": [], "submitted_at": 1788540739, "scored_at": 1788566535, "rank": 5899}, {"candidate_id": "ODC-2AC2FF", "res_at": 1789906304, "skeleton": "XOBDNDLTACJMOI", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········ccc12", "total": 8.008, "axes": {"activity": 4.84, "binding": 0.62, "selectivity": 0.0, "admet": 0.87, "novelty": 0.87, "synthesis": 0.81}, "detail": {"activity": {"pAct_q10": 4.89, "fraction": 0.161}, "binding": {"pIC50": 4.66, "LE": 0.22, "potency_term": 0.042, "efficiency_cap": 0.733}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.362, "per_endpoint": {"solubility-aqsoldb": 0.105, "caco2-wang": 0.744, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 0.526, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.502}}, "novelty": {"max_tanimoto": 0.462, "novelty": 0.538}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "2", "pAct_q10": 4.890309174973174, "aff_pf": 1.3445271253585815, "aff_hs": 1.0257856845855713, "repeats_pf": {"runs": 3, "values": [1.4039, 1.2784, 1.3513], "mean": 1.3445, "spread": 0.1255}, "repeats_hs": {"runs": 3, "values": [0.8584, 1.2096, 1.0094], "mean": 1.0258, "spread": 0.3511}, "at": 1789906304}, "tier": 1, "alerts": [], "total_sd": 0.046, "total_ci95": [7.915, 8.082], "relegate_reason": [], "submitted_at": 1789778776, "scored_at": 1789906304, "rank": 5900}, {"candidate_id": "ODC-AEC8FB", "res_at": 1786845669, "skeleton": "JNQNGFXAMUBVAE", "hf_user": "JANE77-7", "display_name": "J-7", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C1Nc2··········C1CC1", "total": 7.994, "axes": {"activity": 4.82, "binding": 0.35, "selectivity": 0.0, "admet": 1.08, "novelty": 1.19, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.889, "fraction": 0.161}, "binding": {"pIC50": 4.39, "LE": 0.241, "potency_term": 0.022, "efficiency_cap": 0.802}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.71, "herg": 0.286, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "1", "pAct_q10": 4.889291637999483, "aff_pf": 1.6084047953287761, "aff_hs": 1.2965176900227864, "repeats_pf": {"runs": 3, "values": [1.6376, 1.64, 1.5476], "mean": 1.6084, "spread": 0.0923}, "repeats_hs": {"runs": 3, "values": [1.4554, 1.3309, 1.1033], "mean": 1.2965, "spread": 0.352}, "at": 1786845669}, "tier": 1, "relegate_reason": [], "submitted_at": 1786842565, "scored_at": 1786845669, "alerts": [], "rank": 5901}, {"candidate_id": "ODC-0D46EB", "res_at": 1787581276, "skeleton": "JGRRAONDWIQANM", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4F", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)cc12", "total": 7.984, "axes": {"activity": 4.81, "binding": 0.78, "selectivity": 0.0, "admet": 0.69, "novelty": 0.91, "synthesis": 0.8}, "detail": {"activity": {"pAct_q10": 4.888, "fraction": 0.16}, "binding": {"pIC50": 4.71, "LE": 0.239, "potency_term": 0.049, "efficiency_cap": 0.797}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.075, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.214, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.335, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "3", "pAct_q10": 4.88841572010455, "aff_pf": 1.2868454257647197, "aff_hs": 1.8093299865722656, "repeats_pf": {"runs": 3, "values": [1.116, 1.7589, 0.9857], "mean": 1.2868, "spread": 0.7732}, "repeats_hs": {"runs": 3, "values": [1.7425, 1.9242, 1.7613], "mean": 1.8093, "spread": 0.1817}, "at": 1787581276}, "tier": 1, "relegate_reason": [], "submitted_at": 1787578612, "scored_at": 1787581276, "alerts": [], "rank": 5902}, {"candidate_id": "ODC-C2424B", "res_at": 1787022377, "skeleton": "QLIFTHHLRWIRRS", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(N··········)(F)F", "total": 7.983, "axes": {"activity": 4.11, "binding": 0.84, "selectivity": 0.21, "admet": 1.21, "novelty": 0.97, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.847, "fraction": 0.137}, "binding": {"pIC50": 5.13, "LE": 0.37, "potency_term": 0.042, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.247, "target_engagement": 0.042}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.425, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.524, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 4.846816162726279, "aff_pf": 0.8746809959411621, "aff_hs": 1.3687158425649006, "repeats_pf": {"runs": 3, "values": [0.868, 0.8635, 0.8926], "mean": 0.8747, "spread": 0.0292}, "repeats_hs": {"runs": 3, "values": [1.4611, 1.4232, 1.2218], "mean": 1.3687, "spread": 0.2393}, "at": 1787022377}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021395, "scored_at": 1787022377, "alerts": [], "rank": 5903}, {"candidate_id": "ODC-CA975E", "res_at": 1786904346, "skeleton": "TXWWADKKBMIRON", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········O)n1C", "total": 7.973, "axes": {"activity": 3.86, "binding": 1.25, "selectivity": 0.0, "admet": 1.34, "novelty": 0.89, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 4.831, "fraction": 0.129}, "binding": {"pIC50": 4.81, "LE": 0.33, "potency_term": 0.063, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.696, "per_endpoint": {"solubility-aqsoldb": 0.55, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.494, "ld50-zhu": 0.644, "herg": 1.0, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 4.8313781879033835, "aff_pf": 1.186702013015747, "aff_hs": 0.9725895126660665, "repeats_pf": {"runs": 3, "values": [1.2019, 1.1811, 1.1772], "mean": 1.1867, "spread": 0.0247}, "repeats_hs": {"runs": 3, "values": [0.9851, 0.9756, 0.9571], "mean": 0.9726, "spread": 0.028}, "at": 1786904346}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891866, "scored_at": 1786904346, "alerts": [], "rank": 5904}, {"candidate_id": "ODC-42F782", "res_at": 1787120263, "skeleton": "ZVGLNCGBCUERDK", "hf_user": "Ku-ku", "display_name": "NCA20260819_003", "model_name": "novel-core/amide-coupling/maxmin", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········nc2s1", "total": 7.882, "axes": {"activity": 4.3, "binding": 0.96, "selectivity": 0.0, "admet": 0.93, "novelty": 0.98, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.858, "fraction": 0.143}, "binding": {"pIC50": 4.75, "LE": 0.271, "potency_term": 0.053, "efficiency_cap": 0.903}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.435, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.948, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.331, "cyp3a4-substrate-carbonmangels": 0.242, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.411}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 4.857745184632888, "aff_pf": 1.253829002380371, "aff_hs": 1.259657621383667, "repeats_pf": {"runs": 3, "values": [1.2659, 1.2213, 1.2743], "mean": 1.2538, "spread": 0.053}, "repeats_hs": {"runs": 3, "values": [1.2794, 1.2176, 1.282], "mean": 1.2597, "spread": 0.0644}, "at": 1787120263}, "tier": 1, "relegate_reason": [], "submitted_at": 1787102432, "scored_at": 1787120263, "alerts": [], "rank": 5905}, {"candidate_id": "ODC-362FCA", "res_at": 1786879330, "skeleton": "WPNWZHQNJWFYCL", "hf_user": "route-rude", "display_name": "WONNOW-SuperDaddy", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)N(··········2)cc1", "total": 7.867, "axes": {"activity": 4.18, "binding": 1.02, "selectivity": 0.0, "admet": 1.05, "novelty": 0.92, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.851, "fraction": 0.139}, "binding": {"pIC50": 4.8, "LE": 0.253, "potency_term": 0.061, "efficiency_cap": 0.843}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.713, "caco2-wang": 0.525, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.624, "herg": 0.944, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "2", "pAct_q10": 4.850852768596745, "aff_pf": 1.2008992830912273, "aff_hs": 0.8716134826342264, "repeats_pf": {"runs": 3, "values": [1.0355, 1.2875, 1.2797], "mean": 1.2009, "spread": 0.252}, "repeats_hs": {"runs": 3, "values": [0.9711, 0.8715, 0.7723], "mean": 0.8716, "spread": 0.1988}, "at": 1786879330}, "tier": 1, "relegate_reason": [], "submitted_at": 1786874660, "scored_at": 1786879330, "alerts": [], "rank": 5906}, {"candidate_id": "ODC-963774", "res_at": 1787237890, "skeleton": "WUFWNYIZUROCJV", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········C1CC1", "total": 7.863, "axes": {"activity": 4.89, "binding": 0.37, "selectivity": 0.0, "admet": 0.76, "novelty": 1.16, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.893, "fraction": 0.163}, "binding": {"pIC50": 5.07, "LE": 0.248, "potency_term": 0.022, "efficiency_cap": 0.826}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.723, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.156, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.938, "herg": 0.05, "dili": 0.215}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 4.8932501776424555, "aff_pf": 0.9331528147061666, "aff_hs": 0.88451619942983, "repeats_pf": {"runs": 3, "values": [1.0096, 1.0026, 0.7872], "mean": 0.9332, "spread": 0.2224}, "repeats_hs": {"runs": 3, "values": [0.7366, 1.0092, 0.9077], "mean": 0.8845, "spread": 0.2727}, "at": 1787237890}, "tier": 1, "relegate_reason": [], "submitted_at": 1787234325, "scored_at": 1787237890, "alerts": [], "rank": 5907}, {"candidate_id": "ODC-A9F7D3", "res_at": 1786853093, "skeleton": "ISCUEYVLBTWDEF", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 7.835, "axes": {"activity": 4.74, "binding": 0.43, "selectivity": 0.01, "admet": 1.07, "novelty": 0.84, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.885, "fraction": 0.158}, "binding": {"pIC50": 5.06, "LE": 0.302, "potency_term": 0.022, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.953, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.152, "cyp3a4-substrate-carbonmangels": 0.146, "ld50-zhu": 0.297, "herg": 0.665, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.884539668484842, "aff_pf": 0.935471773147583, "aff_hs": 0.9764516949653625, "repeats_pf": {"runs": 3, "values": [0.9168, 0.9286, 0.961], "mean": 0.9355, "spread": 0.0442}, "repeats_hs": {"runs": 3, "values": [1.0617, 0.9034, 0.9643], "mean": 0.9765, "spread": 0.1583}, "at": 1786853093}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847540, "scored_at": 1786853093, "alerts": [], "rank": 5908}, {"candidate_id": "ODC-27F648", "res_at": 1786846336, "skeleton": "YOVDCMTZFRMLGM", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)nccc2n1-c1ccc(C(=O)NC2CC2)o1", "smiles_masked": null, "total": 7.826, "axes": {"activity": 4.1, "binding": 1.27, "selectivity": 0.0, "admet": 1.1, "novelty": 0.75, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.846, "fraction": 0.137}, "binding": {"pIC50": 5.19, "LE": 0.309, "potency_term": 0.063, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.063}, "admet": {"geometric_mean": 0.539, "per_endpoint": {"solubility-aqsoldb": 0.598, "caco2-wang": 0.797, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.935, "cyp3a4-substrate-carbonmangels": 0.177, "ld50-zhu": 0.389, "herg": 0.326, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 2.9}}, "run": {"gpu": "1", "pAct_q10": 4.845866322516237, "aff_pf": 0.8096877137819926, "aff_hs": -0.012590572237968445, "repeats_pf": {"runs": 3, "values": [0.7367, 0.8253, 0.8671], "mean": 0.8097, "spread": 0.1305}, "repeats_hs": {"runs": 3, "values": [0.0636, -0.1068, 0.0054], "mean": -0.0126, "spread": 0.1704}, "at": 1786846336}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845798, "scored_at": 1786846336, "alerts": [], "rank": 5909}, {"candidate_id": "ODC-818632", "res_at": 1787161543, "skeleton": "WZXQCYVJFDLPTF", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2n1", "total": 7.797, "axes": {"activity": 2.57, "binding": 2.4, "selectivity": 0.65, "admet": 0.85, "novelty": 0.73, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.754, "fraction": 0.086}, "binding": {"pIC50": 5.36, "LE": 0.35, "potency_term": 0.12, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.124, "cyp3a4-substrate-carbonmangels": 0.799, "ld50-zhu": 0.223, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.392, "novelty": 0.608}, "synthesis": {"sa_score": 1.95}}, "run": {"gpu": "3", "pAct_q10": 4.754289282919882, "aff_pf": 0.6400837699572245, "aff_hs": 1.1797558069229126, "repeats_pf": {"runs": 3, "values": [0.6547, 0.6231, 0.6424], "mean": 0.6401, "spread": 0.0316}, "repeats_hs": {"runs": 3, "values": [1.1722, 1.1657, 1.2013], "mean": 1.1798, "spread": 0.0356}, "at": 1787161543}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151118, "scored_at": 1787161543, "alerts": [], "rank": 5910}, {"candidate_id": "ODC-8DAE86", "res_at": 1789339266, "skeleton": "AGRCIYQUJGVJOU", "hf_user": "trblnfxn", "display_name": "NOVEL-NorbornaneCarbox", "model_name": "Hermes-Novel-v1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········C1CC2", "total": 7.79, "axes": {"activity": 1.57, "binding": 2.91, "selectivity": 0.59, "admet": 1.28, "novelty": 0.9, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.694, "fraction": 0.052}, "binding": {"pIC50": 5.44, "LE": 0.339, "potency_term": 0.145, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.145}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.91, "cyp3a4-substrate-carbonmangels": 0.675, "ld50-zhu": 0.773, "herg": 0.05, "dili": 0.579}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "0", "pAct_q10": 4.694387461596324, "aff_pf": 0.5636452535788218, "aff_hs": 0.9723928769429525, "repeats_pf": {"runs": 3, "values": [0.5362, 0.685, 0.4697], "mean": 0.5636, "spread": 0.2154}, "repeats_hs": {"runs": 3, "values": [1.1004, 0.9584, 0.8584], "mean": 0.9724, "spread": 0.2419}, "at": 1789339266}, "tier": 1, "alerts": [], "total_sd": 0.776, "total_ci95": [5.933, 9.151], "relegate_reason": [], "submitted_at": 1789328646, "scored_at": 1789339266, "rank": 5911}, {"candidate_id": "ODC-564273", "res_at": 1789889427, "skeleton": "UMTMCNDRWNULMX", "hf_user": "Bio-JS", "display_name": "0918-S1-div04", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········3)cc1", "total": 7.786, "axes": {"activity": 3.96, "binding": 1.28, "selectivity": 0.0, "admet": 1.21, "novelty": 0.75, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.838, "fraction": 0.132}, "binding": {"pIC50": 4.82, "LE": 0.3, "potency_term": 0.064, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.034, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.61, "per_endpoint": {"solubility-aqsoldb": 0.626, "caco2-wang": 0.397, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.8, "ld50-zhu": 0.495, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "2", "pAct_q10": 4.837620411360086, "aff_pf": 1.178592363993327, "aff_hs": 1.2461823225021362, "repeats_pf": {"runs": 3, "values": [1.2133, 1.1635, 1.1589], "mean": 1.1786, "spread": 0.0544}, "repeats_hs": {"runs": 3, "values": [1.2437, 1.1442, 1.3506], "mean": 1.2462, "spread": 0.2065}, "at": 1789889427}, "tier": 1, "alerts": [], "total_sd": 0.048, "total_ci95": [7.672, 7.851], "relegate_reason": [], "submitted_at": 1789687015, "scored_at": 1789889427, "rank": 5912}, {"candidate_id": "ODC-B424B5", "res_at": 1786815592, "skeleton": "BXDDIILNWVEBOO", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········ccn12", "total": 7.783, "axes": {"activity": 4.2, "binding": 0.83, "selectivity": 0.0, "admet": 1.16, "novelty": 0.93, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.852, "fraction": 0.14}, "binding": {"pIC50": 4.72, "LE": 0.249, "potency_term": 0.05, "efficiency_cap": 0.829}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.821, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.988, "cyp2c9-veith": 0.543, "cyp3a4-substrate-carbonmangels": 0.265, "ld50-zhu": 0.621, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 4.8522872748291555, "aff_pf": 1.2776110967000325, "aff_hs": 1.233467658360799, "repeats_pf": {"runs": 3, "values": [1.2924, 1.3569, 1.1836], "mean": 1.2776, "spread": 0.1733}, "repeats_hs": {"runs": 3, "values": [1.318, 1.2506, 1.1318], "mean": 1.2335, "spread": 0.1862}, "at": 1786815592}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789528, "scored_at": 1786815592, "alerts": [], "rank": 5913}, {"candidate_id": "ODC-AB4473", "res_at": 1788467050, "skeleton": "KDHKEOADGZNCQK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(C··········=O)SC", "total": 7.782, "axes": {"activity": 2.47, "binding": 2.5, "selectivity": 1.02, "admet": 0.39, "novelty": 0.93, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.523, "fraction": 0.082}, "binding": {"pIC50": 5.53, "LE": 0.211, "potency_term": 0.178, "efficiency_cap": 0.702}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.178}, "admet": {"geometric_mean": 0.206, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.473, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 4.5226820549141795, "aff_pf": 0.4663336326678594, "aff_hs": 1.0389729738235474, "repeats_pf": {"runs": 3, "values": [0.1354, 0.581, 0.6826], "mean": 0.4663, "spread": 0.5473}, "repeats_hs": {"runs": 3, "values": [1.0958, 0.9857, 1.0354], "mean": 1.039, "spread": 0.1102}, "at": 1788467050}, "tier": 1, "alerts": [], "total_sd": 1.743, "total_ci95": [5.478, 12.491], "relegate_reason": [], "submitted_at": 1788394319, "scored_at": 1788467050, "rank": 5914}, {"candidate_id": "ODC-351EE0", "res_at": 1788799935, "skeleton": "HLTNMISRKZELRA", "hf_user": "Bio-JS", "display_name": "0907-S1-25", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)c2C1", "total": 7.779, "axes": {"activity": 4.33, "binding": 0.95, "selectivity": 0.0, "admet": 0.89, "novelty": 0.91, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.86, "fraction": 0.144}, "binding": {"pIC50": 4.77, "LE": 0.252, "potency_term": 0.057, "efficiency_cap": 0.839}, "selectivity": {"fold": 1.1, "selectivity_term": 0.021, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.412, "per_endpoint": {"solubility-aqsoldb": 0.492, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.223, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.59, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 4.859945628832961, "aff_pf": 1.225710431734721, "aff_hs": 1.2673518657684326, "repeats_pf": {"runs": 3, "values": [1.1655, 1.2974, 1.2142], "mean": 1.2257, "spread": 0.1319}, "repeats_hs": {"runs": 3, "values": [1.2827, 1.2693, 1.25], "mean": 1.2674, "spread": 0.0327}, "at": 1788799935}, "tier": 1, "alerts": [], "total_sd": 0.078, "total_ci95": [7.672, 7.948], "relegate_reason": [], "submitted_at": 1788707784, "scored_at": 1788799935, "rank": 5915}, {"candidate_id": "ODC-DE909B", "res_at": 1788973066, "skeleton": "FCDQTIDNBHVTEI", "hf_user": "trblnfxn", "display_name": "NC-TZP-01_H", "model_name": "Hermes-TZP-Core-v2", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········cnn12", "total": 7.777, "axes": {"activity": 2.53, "binding": 2.72, "selectivity": 0.0, "admet": 1.05, "novelty": 0.83, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 4.752, "fraction": 0.084}, "binding": {"pIC50": 5.44, "LE": 0.276, "potency_term": 0.147, "efficiency_cap": 0.921}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.147}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.375, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.506, "herg": 0.193, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "0", "pAct_q10": 4.751794837369459, "aff_pf": 0.5575600763161978, "aff_hs": 0.3691624402999878, "repeats_pf": {"runs": 3, "values": [0.3914, 0.6276, 0.6537], "mean": 0.5576, "spread": 0.2623}, "repeats_hs": {"runs": 3, "values": [0.3732, 0.4291, 0.3051], "mean": 0.3692, "spread": 0.124}, "at": 1788973066}, "tier": 1, "alerts": [], "total_sd": 0.907, "total_ci95": [6.565, 9.969], "relegate_reason": [], "submitted_at": 1788969090, "scored_at": 1788973066, "rank": 5916}, {"candidate_id": "ODC-193449", "res_at": 1787021675, "skeleton": "BVEVDCQAZNYMDE", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········cc1Br", "total": 7.768, "axes": {"activity": 3.65, "binding": 1.79, "selectivity": 0.0, "admet": 0.87, "novelty": 0.85, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.819, "fraction": 0.122}, "binding": {"pIC50": 4.98, "LE": 0.284, "potency_term": 0.094, "efficiency_cap": 0.947}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.458, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.19, "ld50-zhu": 0.503, "herg": 0.128, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "2", "pAct_q10": 4.819212366568326, "aff_pf": 1.023270070552826, "aff_hs": 0.8974692026774088, "repeats_pf": {"runs": 3, "values": [1.0863, 1.0317, 0.9518], "mean": 1.0233, "spread": 0.1345}, "repeats_hs": {"runs": 3, "values": [0.8497, 0.8874, 0.9553], "mean": 0.8975, "spread": 0.1056}, "at": 1787021675}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021363, "scored_at": 1787021675, "alerts": [], "rank": 5917}, {"candidate_id": "ODC-651CD0", "res_at": 1786949966, "skeleton": "NXNGFQVQZJDUNY", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········(F)O2", "total": 7.756, "axes": {"activity": 4.11, "binding": 1.26, "selectivity": 0.0, "admet": 0.8, "novelty": 1.06, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.847, "fraction": 0.137}, "binding": {"pIC50": 4.89, "LE": 0.248, "potency_term": 0.076, "efficiency_cap": 0.827}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.292, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.568, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.085, "ld50-zhu": 0.643, "herg": 0.247, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.228, "novelty": 0.772}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "2", "pAct_q10": 4.8466129352999765, "aff_pf": 1.108643611272176, "aff_hs": 0.4919556180636088, "repeats_pf": {"runs": 3, "values": [1.2322, 1.0843, 1.0094], "mean": 1.1086, "spread": 0.2229}, "repeats_hs": {"runs": 3, "values": [0.5979, 0.5381, 0.3399], "mean": 0.492, "spread": 0.2579}, "at": 1786949966}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942829, "scored_at": 1786949966, "alerts": [], "rank": 5918}, {"candidate_id": "ODC-E5E069", "res_at": 1787160773, "skeleton": "QQPMRWCFEJVSCY", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········F)cc1", "total": 7.75, "axes": {"activity": 2.25, "binding": 2.82, "selectivity": 0.18, "admet": 1.09, "novelty": 0.71, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.485, "fraction": 0.075}, "binding": {"pIC50": 5.42, "LE": 0.338, "potency_term": 0.141, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.141}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.346, "caco2-wang": 0.881, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.072, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.366, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.96}}, "run": {"gpu": "3", "pAct_q10": 4.48465102038225, "aff_pf": 0.5765209992726644, "aff_hs": 0.704374094804128, "repeats_pf": {"runs": 3, "values": [0.5597, 0.5528, 0.617], "mean": 0.5765, "spread": 0.0642}, "repeats_hs": {"runs": 3, "values": [0.5217, 0.8462, 0.7453], "mean": 0.7044, "spread": 0.3245}, "at": 1787160773}, "tier": 1, "relegate_reason": [], "submitted_at": 1787151099, "scored_at": 1787160773, "alerts": [], "rank": 5919}, {"candidate_id": "ODC-593379", "res_at": 1786848176, "skeleton": "ORAWRAKRLHUAQK", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC23CC(C2)C3)o1", "smiles_masked": null, "total": 7.692, "axes": {"activity": 3.95, "binding": 1.76, "selectivity": 0.0, "admet": 0.85, "novelty": 0.69, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.837, "fraction": 0.132}, "binding": {"pIC50": 5.27, "LE": 0.289, "potency_term": 0.091, "efficiency_cap": 0.963}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.721, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.833, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.551, "herg": 0.108, "dili": 0.202}}, "novelty": {"max_tanimoto": 0.479, "novelty": 0.521}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 4.837206865808129, "aff_pf": 0.7266850074132284, "aff_hs": 0.30688058336575824, "repeats_pf": {"runs": 3, "values": [0.7301, 0.7265, 0.7235], "mean": 0.7267, "spread": 0.0066}, "repeats_hs": {"runs": 3, "values": [0.3242, 0.3291, 0.2673], "mean": 0.3069, "spread": 0.0618}, "at": 1786848176}, "tier": 1, "relegate_reason": [], "submitted_at": 1786845804, "scored_at": 1786848176, "alerts": [], "rank": 5920}, {"candidate_id": "ODC-18E636", "res_at": 1787917170, "skeleton": "GTHPHHASCSLWMY", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 7.684, "axes": {"activity": 4.41, "binding": 0.29, "selectivity": 0.0, "admet": 1.28, "novelty": 0.97, "synthesis": 0.73}, "detail": {"activity": {"pAct_q10": 4.865, "fraction": 0.147}, "binding": {"pIC50": 4.41, "LE": 0.189, "potency_term": 0.023, "efficiency_cap": 0.63}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.928, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.514, "herg": 0.11, "dili": 0.797}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "3", "pAct_q10": 4.864686810735752, "aff_pf": 1.585910677909851, "aff_hs": 1.3165442943572998, "repeats_pf": {"runs": 3, "values": [1.5609, 1.6906, 1.5063], "mean": 1.5859, "spread": 0.1844}, "repeats_hs": {"runs": 3, "values": [1.29, 1.1802, 1.4794], "mean": 1.3165, "spread": 0.2993}, "at": 1787917170}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898932, "scored_at": 1787917170, "alerts": [], "rank": 5921}, {"candidate_id": "ODC-9AC85D", "res_at": 1787076166, "skeleton": "XEPVKJAOITWRNN", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCN(··········N)CC1", "total": 7.674, "axes": {"activity": 3.91, "binding": 0.98, "selectivity": 0.0, "admet": 1.34, "novelty": 0.8, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.834, "fraction": 0.13}, "binding": {"pIC50": 4.77, "LE": 0.261, "potency_term": 0.056, "efficiency_cap": 0.871}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.685, "per_endpoint": {"solubility-aqsoldb": 0.893, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.496, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "3", "pAct_q10": 4.834425510903349, "aff_pf": 1.2318026224772136, "aff_hs": 1.6201016505559285, "repeats_pf": {"runs": 3, "values": [1.3075, 1.3641, 1.0238], "mean": 1.2318, "spread": 0.3403}, "repeats_hs": {"runs": 3, "values": [1.6563, 1.6187, 1.5853], "mean": 1.6201, "spread": 0.0711}, "at": 1787076166}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066242, "scored_at": 1787076166, "alerts": [], "rank": 5922}, {"candidate_id": "ODC-EEDC9D", "res_at": 1787271493, "skeleton": "MAHZBYVNFNMWTF", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)c(F)c2)on1", "smiles_masked": null, "total": 7.644, "axes": {"activity": 3.56, "binding": 1.47, "selectivity": 0.0, "admet": 1.26, "novelty": 0.76, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.814, "fraction": 0.119}, "binding": {"pIC50": 4.89, "LE": 0.291, "potency_term": 0.076, "efficiency_cap": 0.971}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.707, "per_endpoint": {"solubility-aqsoldb": 0.869, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.711, "ld50-zhu": 0.492, "herg": 0.569, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.8137080082885335, "aff_pf": 1.1112906138102214, "aff_hs": 0.6623054146766663, "repeats_pf": {"runs": 3, "values": [1.1711, 1.0798, 1.0829], "mean": 1.1113, "spread": 0.0913}, "repeats_hs": {"runs": 3, "values": [0.6342, 0.7286, 0.6241], "mean": 0.6623, "spread": 0.1044}, "at": 1787271493}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269845, "scored_at": 1787271493, "alerts": [], "rank": 5923}, {"candidate_id": "ODC-FFB8B6", "res_at": 1787071304, "skeleton": "JBAYXKKJKBOUHM", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········cc2n1", "total": 7.634, "axes": {"activity": 2.32, "binding": 2.38, "selectivity": 0.62, "admet": 0.9, "novelty": 0.87, "synthesis": 0.54}, "detail": {"activity": {"pAct_q10": 4.739, "fraction": 0.077}, "binding": {"pIC50": 5.36, "LE": 0.306, "potency_term": 0.119, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.3, "selectivity_term": 0.259, "target_engagement": 0.119}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.539, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.878, "cyp3a4-substrate-carbonmangels": 0.096, "ld50-zhu": 0.252, "herg": 0.834, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.739059903202319, "aff_pf": 0.6431739727656046, "aff_hs": 1.160535454750061, "repeats_pf": {"runs": 3, "values": [0.5909, 0.7099, 0.6287], "mean": 0.6432, "spread": 0.1191}, "repeats_hs": {"runs": 3, "values": [1.209, 1.1251, 1.1475], "mean": 1.1605, "spread": 0.0838}, "at": 1787071304}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065952, "scored_at": 1787071304, "alerts": [], "rank": 5924}, {"candidate_id": "ODC-C83232", "res_at": 1789320580, "skeleton": "DYCPNXNQHJTIKB", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········ccnc1", "total": 7.581, "axes": {"activity": 2.12, "binding": 2.77, "selectivity": 0.0, "admet": 1.13, "novelty": 0.87, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.727, "fraction": 0.071}, "binding": {"pIC50": 5.42, "LE": 0.353, "potency_term": 0.139, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.139}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.272, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.416, "herg": 0.643, "dili": 0.287}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 4.727026155691152, "aff_pf": 0.583927720785141, "aff_hs": 0.47244606415430707, "repeats_pf": {"runs": 3, "values": [0.7166, 0.5583, 0.4768], "mean": 0.5839, "spread": 0.2397}, "repeats_hs": {"runs": 3, "values": [0.4719, 0.5032, 0.4422], "mean": 0.4724, "spread": 0.061}, "at": 1789320580}, "tier": 1, "alerts": [], "total_sd": 0.769, "total_ci95": [5.839, 8.631], "relegate_reason": [], "submitted_at": 1789317640, "scored_at": 1789320580, "rank": 5925}, {"candidate_id": "ODC-CEA171", "res_at": 1787016431, "skeleton": "DORHBXHXWWWRPD", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Cc··········CCCC1", "total": 7.578, "axes": {"activity": 3.26, "binding": 1.85, "selectivity": 0.38, "admet": 0.97, "novelty": 0.63, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.795, "fraction": 0.109}, "binding": {"pIC50": 5.3, "LE": 0.279, "potency_term": 0.1, "efficiency_cap": 0.931}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.1}, "admet": {"geometric_mean": 0.598, "per_endpoint": {"solubility-aqsoldb": 0.572, "caco2-wang": 0.965, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.264, "cyp3a4-substrate-carbonmangels": 0.34, "ld50-zhu": 0.628, "herg": 0.05, "dili": 0.832}}, "novelty": {"max_tanimoto": 0.42, "novelty": 0.58}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 4.795411570937195, "aff_pf": 0.7010398705800375, "aff_hs": 1.082391619682312, "repeats_pf": {"runs": 3, "values": [0.8076, 0.671, 0.6246], "mean": 0.701, "spread": 0.1829}, "repeats_hs": {"runs": 3, "values": [1.0244, 1.1268, 1.0959], "mean": 1.0824, "spread": 0.1024}, "at": 1787016431}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016065, "scored_at": 1787016431, "alerts": [], "rank": 5926}, {"candidate_id": "ODC-87EFEA", "res_at": 1788071887, "skeleton": "BDFKISKAKGRXKJ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2s1", "total": 7.568, "axes": {"activity": 2.19, "binding": 2.41, "selectivity": 0.98, "admet": 0.81, "novelty": 0.58, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.731, "fraction": 0.073}, "binding": {"pIC50": 5.36, "LE": 0.319, "potency_term": 0.12, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.5, "selectivity_term": 0.407, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.449, "per_endpoint": {"solubility-aqsoldb": 0.115, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.092, "cyp3a4-substrate-carbonmangels": 0.786, "ld50-zhu": 0.456, "herg": 0.671, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.516, "novelty": 0.484}, "synthesis": {"sa_score": 2.0}}, "run": {"gpu": "0", "pAct_q10": 4.731164475657718, "aff_pf": 0.6390262643496195, "aff_hs": 1.4540217717488606, "repeats_pf": {"runs": 3, "values": [0.6133, 0.6535, 0.6503], "mean": 0.639, "spread": 0.0402}, "repeats_hs": {"runs": 3, "values": [1.3673, 1.5642, 1.4306], "mean": 1.454, "spread": 0.1969}, "at": 1788071887}, "tier": 1, "alerts": [], "total_sd": 0.173, "total_ci95": [7.293, 7.927], "relegate_reason": [], "submitted_at": 1788028610, "scored_at": 1788071887, "rank": 5927}, {"candidate_id": "ODC-E3F105", "res_at": 1786852423, "skeleton": "BZCWQFBKOGYPLO", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 7.485, "axes": {"activity": 4.2, "binding": 0.87, "selectivity": 0.0, "admet": 0.97, "novelty": 0.83, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.852, "fraction": 0.14}, "binding": {"pIC50": 5.13, "LE": 0.306, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.044}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.283, "caco2-wang": 0.876, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.42, "ld50-zhu": 0.395, "herg": 0.468, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 4.851992262456832, "aff_pf": 0.8689347505569458, "aff_hs": 0.8008497754732767, "repeats_pf": {"runs": 3, "values": [0.9036, 0.8474, 0.8558], "mean": 0.8689, "spread": 0.0562}, "repeats_hs": {"runs": 3, "values": [0.8746, 0.8796, 0.6483], "mean": 0.8008, "spread": 0.2313}, "at": 1786852423}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847527, "scored_at": 1786852423, "alerts": [], "rank": 5928}, {"candidate_id": "ODC-899806", "res_at": 1787076817, "skeleton": "CTFJITNDRNDMKT", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 7.474, "axes": {"activity": 2.13, "binding": 2.19, "selectivity": 0.83, "admet": 1.04, "novelty": 0.73, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.463, "fraction": 0.071}, "binding": {"pIC50": 5.33, "LE": 0.317, "potency_term": 0.109, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.636, "per_endpoint": {"solubility-aqsoldb": 0.859, "caco2-wang": 0.894, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.267, "herg": 0.54, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 4.4627336546707355, "aff_pf": 0.6715810100237528, "aff_hs": 1.4336017767588298, "repeats_pf": {"runs": 3, "values": [0.6327, 0.7176, 0.6644], "mean": 0.6716, "spread": 0.0849}, "repeats_hs": {"runs": 3, "values": [1.385, 1.4181, 1.4978], "mean": 1.4336, "spread": 0.1128}, "at": 1787076817}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066271, "scored_at": 1787076817, "alerts": [], "rank": 5929}, {"candidate_id": "ODC-B24799", "res_at": 1788781723, "skeleton": "INHNFBXKJQWOEJ", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Hermes Agent + RDKit MPO Pipeline", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NS(··········cc2c1", "total": 7.43, "axes": {"activity": 3.3, "binding": 1.58, "selectivity": 0.47, "admet": 0.85, "novelty": 0.68, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.798, "fraction": 0.11}, "binding": {"pIC50": 5.25, "LE": 0.288, "potency_term": 0.082, "efficiency_cap": 0.958}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.492, "herg": 0.722, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 4.798160368421408, "aff_pf": 0.7529289523760477, "aff_hs": 1.3237502972284954, "repeats_pf": {"runs": 3, "values": [1.2705, 0.5141, 0.4742], "mean": 0.7529, "spread": 0.7963}, "repeats_hs": {"runs": 3, "values": [1.2628, 1.3603, 1.3481], "mean": 1.3238, "spread": 0.0975}, "at": 1788781723}, "tier": 1, "alerts": [], "total_sd": 1.896, "total_ci95": [7.119, 11.598], "relegate_reason": [], "submitted_at": 1788705524, "scored_at": 1788781723, "rank": 5930}, {"candidate_id": "ODC-4AE76E", "res_at": 1789319860, "skeleton": "IJHZNSZDUNTKTB", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 7.43, "axes": {"activity": 2.97, "binding": 2.14, "selectivity": 0.0, "admet": 1.1, "novelty": 0.68, "synthesis": 0.54}, "detail": {"activity": {"pAct_q10": 4.595, "fraction": 0.099}, "binding": {"pIC50": 5.32, "LE": 0.347, "potency_term": 0.107, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.688, "per_endpoint": {"solubility-aqsoldb": 0.532, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.64, "cyp3a4-substrate-carbonmangels": 0.739, "ld50-zhu": 0.814, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "0", "pAct_q10": 4.595335807391735, "aff_pf": 0.6789790193239847, "aff_hs": 0.46665338675181073, "repeats_pf": {"runs": 3, "values": [0.7718, 0.7654, 0.4998], "mean": 0.679, "spread": 0.272}, "repeats_hs": {"runs": 3, "values": [0.3977, 0.5267, 0.4756], "mean": 0.4667, "spread": 0.129}, "at": 1789319860}, "tier": 1, "alerts": [], "total_sd": 0.782, "total_ci95": [6.634, 8.69], "relegate_reason": [], "submitted_at": 1789317625, "scored_at": 1789319860, "rank": 5931}, {"candidate_id": "ODC-401239", "res_at": 1789508461, "skeleton": "TYXVVXFNSSPDBG", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 7.421, "axes": {"activity": 3.9, "binding": 0.84, "selectivity": 0.0, "admet": 1.22, "novelty": 0.81, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.834, "fraction": 0.13}, "binding": {"pIC50": 4.65, "LE": 0.304, "potency_term": 0.042, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.627, "per_endpoint": {"solubility-aqsoldb": 0.477, "caco2-wang": 0.994, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.789, "cyp3a4-substrate-carbonmangels": 0.468, "ld50-zhu": 0.521, "herg": 0.05, "dili": 0.81}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "0", "pAct_q10": 4.83384109369024, "aff_pf": 1.3457055886586506, "aff_hs": 1.1499234437942505, "repeats_pf": {"runs": 3, "values": [1.3371, 1.3399, 1.3601], "mean": 1.3457, "spread": 0.0231}, "repeats_hs": {"runs": 3, "values": [1.0716, 1.1182, 1.26], "mean": 1.1499, "spread": 0.1885}, "at": 1789508461}, "tier": 1, "alerts": [], "total_sd": 0.012, "total_ci95": [7.391, 7.439], "relegate_reason": [], "submitted_at": 1789495218, "scored_at": 1789508461, "rank": 5932}, {"candidate_id": "ODC-154DCB", "res_at": 1786849513, "skeleton": "QBZJLYVPDFZOJV", "hf_user": "JANE77-7", "display_name": "J-K", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 7.368, "axes": {"activity": 4.45, "binding": 0.1, "selectivity": 0.0, "admet": 1.18, "novelty": 0.96, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.867, "fraction": 0.148}, "binding": {"pIC50": 3.9, "LE": 0.243, "potency_term": 0.006, "efficiency_cap": 0.809}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.862, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.538, "herg": 0.864, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.353, "novelty": 0.647}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 4.866931151432732, "aff_pf": 2.1022199789683023, "aff_hs": 1.8228765328725178, "repeats_pf": {"runs": 3, "values": [2.0475, 2.0559, 2.2032], "mean": 2.1022, "spread": 0.1557}, "repeats_hs": {"runs": 3, "values": [1.7566, 1.8581, 1.8539], "mean": 1.8229, "spread": 0.1015}, "at": 1786849513}, "tier": 1, "relegate_reason": [], "submitted_at": 1786846424, "scored_at": 1786849513, "alerts": [], "rank": 5933}, {"candidate_id": "ODC-4015C0", "res_at": 1786970216, "skeleton": "ISELMGQMOYIKJB", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········)ccn1", "total": 7.328, "axes": {"activity": 4.23, "binding": 0.16, "selectivity": 0.0, "admet": 1.42, "novelty": 0.82, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.854, "fraction": 0.141}, "binding": {"pIC50": 4.06, "LE": 0.253, "potency_term": 0.009, "efficiency_cap": 0.842}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.672, "per_endpoint": {"solubility-aqsoldb": 0.652, "caco2-wang": 0.99, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.996, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.516, "herg": 0.748, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.853762094011714, "aff_pf": 1.944879174232483, "aff_hs": 1.6069459915161133, "repeats_pf": {"runs": 3, "values": [1.893, 1.8337, 2.108], "mean": 1.9449, "spread": 0.2743}, "repeats_hs": {"runs": 3, "values": [1.5626, 1.6289, 1.6293], "mean": 1.6069, "spread": 0.0666}, "at": 1786970216}, "tier": 1, "relegate_reason": [], "submitted_at": 1786970026, "scored_at": 1786970216, "alerts": [], "rank": 5934}, {"candidate_id": "ODC-B0BC12", "res_at": 1787157744, "skeleton": "ZKJDVUMSFWHCRT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W2-R5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "c1csc(-··········o2)n1", "total": 7.312, "axes": {"activity": 4.06, "binding": 0.52, "selectivity": 0.0, "admet": 1.32, "novelty": 0.73, "synthesis": 0.67}, "detail": {"activity": {"pAct_q10": 4.844, "fraction": 0.135}, "binding": {"pIC50": 4.46, "LE": 0.306, "potency_term": 0.026, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.652, "per_endpoint": {"solubility-aqsoldb": 0.612, "caco2-wang": 0.911, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.991, "cyp3a4-substrate-carbonmangels": 0.924, "ld50-zhu": 0.561, "herg": 0.171, "dili": 0.106}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 4.843647627165482, "aff_pf": 1.5359580914179485, "aff_hs": 0.9754273891448975, "repeats_pf": {"runs": 3, "values": [1.4662, 1.6377, 1.504], "mean": 1.536, "spread": 0.1714}, "repeats_hs": {"runs": 3, "values": [1.0601, 0.9444, 0.9218], "mean": 0.9754, "spread": 0.1383}, "at": 1787157744}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148234, "scored_at": 1787157744, "alerts": [], "rank": 5935}, {"candidate_id": "ODC-1DBF24", "res_at": 1789507007, "skeleton": "GVENUINCLOFSDQ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 7.311, "axes": {"activity": 3.68, "binding": 0.91, "selectivity": 0.0, "admet": 1.35, "novelty": 0.76, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.821, "fraction": 0.123}, "binding": {"pIC50": 4.69, "LE": 0.357, "potency_term": 0.046, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.737, "per_endpoint": {"solubility-aqsoldb": 0.661, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.296, "ld50-zhu": 0.36, "herg": 0.61, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.09}}, "run": {"gpu": "0", "pAct_q10": 4.820594413003938, "aff_pf": 1.3149489164352417, "aff_hs": 1.4882940451304119, "repeats_pf": {"runs": 3, "values": [1.3293, 1.2818, 1.3337], "mean": 1.3149, "spread": 0.0519}, "repeats_hs": {"runs": 3, "values": [1.7287, 1.328, 1.4081], "mean": 1.4883, "spread": 0.4007}, "at": 1789507007}, "tier": 1, "alerts": [], "total_sd": 0.032, "total_ci95": [7.269, 7.389], "relegate_reason": [], "submitted_at": 1789495206, "scored_at": 1789507007, "rank": 5936}, {"candidate_id": "ODC-B22BD8", "res_at": 1786814458, "skeleton": "NQYSAWBGBWXDRN", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(N[C··········ccn12", "total": 7.306, "axes": {"activity": 4.24, "binding": 0.41, "selectivity": 0.0, "admet": 1.14, "novelty": 0.97, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.854, "fraction": 0.141}, "binding": {"pIC50": 4.47, "LE": 0.227, "potency_term": 0.027, "efficiency_cap": 0.757}, "selectivity": {"fold": 1.1, "selectivity_term": 0.03, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.741, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.774, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.73, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 4.8543462907790556, "aff_pf": 1.5263340870539348, "aff_hs": 1.5854170322418213, "repeats_pf": {"runs": 3, "values": [1.4746, 1.6203, 1.4841], "mean": 1.5263, "spread": 0.1456}, "repeats_hs": {"runs": 3, "values": [1.9491, 1.3133, 1.4938], "mean": 1.5854, "spread": 0.6358}, "at": 1786814458}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789502, "scored_at": 1786814458, "alerts": [], "rank": 5937}, {"candidate_id": "ODC-31496F", "res_at": 1787157163, "skeleton": "FCCMCHXHKHBEGD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W2-R3", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COC(=O)··········c2)s1", "total": 7.301, "axes": {"activity": 0.65, "binding": 3.32, "selectivity": 0.0, "admet": 1.49, "novelty": 1.01, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.639, "fraction": 0.022}, "binding": {"pIC50": 5.5, "LE": 0.443, "potency_term": 0.166, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.739, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.331, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "3", "pAct_q10": 4.639134390988017, "aff_pf": 0.502255251010259, "aff_hs": 0.3900637924671173, "repeats_pf": {"runs": 3, "values": [0.4662, 0.5536, 0.4871], "mean": 0.5023, "spread": 0.0874}, "repeats_hs": {"runs": 3, "values": [0.4014, 0.4194, 0.3494], "mean": 0.3901, "spread": 0.0699}, "at": 1787157163}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148176, "scored_at": 1787157163, "alerts": [], "rank": 5938}, {"candidate_id": "ODC-FB6B54", "res_at": 1789335026, "skeleton": "CNPZHHZTIUAJKO", "hf_user": "trblnfxn", "display_name": "SEED-01-PyranoneNaphthyl", "model_name": "Hermes-Hybrid-NonTP-v1", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········CC1=O", "total": 7.283, "axes": {"activity": 2.59, "binding": 2.33, "selectivity": 0.5, "admet": 0.94, "novelty": 0.34, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.541, "fraction": 0.086}, "binding": {"pIC50": 5.35, "LE": 0.333, "potency_term": 0.117, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.215, "target_engagement": 0.117}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.447, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.983, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.113, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.706, "novelty": 0.294}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 4.540666486376895, "aff_pf": 0.650442103544871, "aff_hs": 1.0797037680943806, "repeats_pf": {"runs": 3, "values": [0.6449, 0.6592, 0.6472], "mean": 0.6504, "spread": 0.0143}, "repeats_hs": {"runs": 3, "values": [1.1129, 1.0103, 1.1159], "mean": 1.0797, "spread": 0.1056}, "at": 1789335026}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.063, "total_ci95": [7.156, 7.393], "relegate_reason": [], "submitted_at": 1789327629, "scored_at": 1789335026, "rank": 5939}, {"candidate_id": "ODC-8EEC6D", "res_at": 1786947553, "skeleton": "OJJKJWSMYXJUJT", "hf_user": "takutoyo", "display_name": "PfD-06", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccn··········)c2c1", "total": 7.227, "axes": {"activity": 3.66, "binding": 1.03, "selectivity": 0.31, "admet": 0.84, "novelty": 0.78, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.819, "fraction": 0.122}, "binding": {"pIC50": 5.16, "LE": 0.294, "potency_term": 0.052, "efficiency_cap": 0.981}, "selectivity": {"fold": 4.0, "selectivity_term": 0.298, "target_engagement": 0.052}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.289, "caco2-wang": 0.926, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.266, "ld50-zhu": 0.319, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.819324662357384, "aff_pf": 0.8426809708277384, "aff_hs": 1.4395764668782551, "repeats_pf": {"runs": 3, "values": [0.7842, 0.9652, 0.7787], "mean": 0.8427, "spread": 0.1865}, "repeats_hs": {"runs": 3, "values": [1.4696, 1.3367, 1.5124], "mean": 1.4396, "spread": 0.1756}, "at": 1786947553}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935241, "scored_at": 1786947553, "alerts": [], "rank": 5940}, {"candidate_id": "ODC-474BD9", "res_at": 1786753739, "skeleton": "BJAAHXVOARWNFL", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "250-300", "visibility": "public", "smiles": "Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2)no1", "smiles_masked": null, "total": 7.22, "axes": {"activity": 2.78, "binding": 2.15, "selectivity": 0.32, "admet": 0.91, "novelty": 0.53, "synthesis": 0.54}, "detail": {"activity": {"pAct_q10": 4.57, "fraction": 0.093}, "binding": {"pIC50": 5.32, "LE": 0.347, "potency_term": 0.107, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.147, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.584, "caco2-wang": 0.932, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.984, "cyp3a4-substrate-carbonmangels": 0.093, "ld50-zhu": 0.371, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.51, "novelty": 0.49}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "3", "pAct_q10": 4.569537263694155, "aff_pf": 0.6776036024093628, "aff_hs": 0.970812976360321, "at": 1786753739}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786753739, "alerts": [], "rank": 5941}, {"candidate_id": "ODC-C5477F", "res_at": 1786856805, "skeleton": "FZZFKRWEQUYVCP", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········)n2c1", "total": 7.196, "axes": {"activity": 2.41, "binding": 2.53, "selectivity": 0.19, "admet": 0.65, "novelty": 0.81, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.745, "fraction": 0.08}, "binding": {"pIC50": 5.38, "LE": 0.32, "potency_term": 0.126, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.126}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.086, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.053, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 0.334, "herg": 0.288, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.355, "novelty": 0.645}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 4.744538697770537, "aff_pf": 0.6210031112035116, "aff_hs": 0.7738321423530579, "repeats_pf": {"runs": 3, "values": [0.6276, 0.7276, 0.5078], "mean": 0.621, "spread": 0.2198}, "repeats_hs": {"runs": 3, "values": [0.7049, 0.7992, 0.8174], "mean": 0.7738, "spread": 0.1125}, "at": 1786856805}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848333, "scored_at": 1786856805, "alerts": [], "rank": 5942}, {"candidate_id": "ODC-DD2A49", "res_at": 1787939615, "skeleton": "KJDHXAUEQKEMNB", "hf_user": "dlghkdueo", "display_name": "SOMANG-A4", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········csc12", "total": 7.186, "axes": {"activity": 2.26, "binding": 2.55, "selectivity": 0.0, "admet": 1.05, "novelty": 0.69, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.736, "fraction": 0.075}, "binding": {"pIC50": 5.38, "LE": 0.351, "potency_term": 0.127, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.127}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.392, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 4.73569851940458, "aff_pf": 0.6175148487091064, "aff_hs": -0.037246547639369965, "repeats_pf": {"runs": 3, "values": [0.6261, 0.6405, 0.5859], "mean": 0.6175, "spread": 0.0545}, "repeats_hs": {"runs": 3, "values": [-0.0664, -0.0142, -0.0311], "mean": -0.0372, "spread": 0.0522}, "at": 1787939615}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936568, "scored_at": 1787939615, "alerts": [], "rank": 5943}, {"candidate_id": "ODC-0F4DE7", "res_at": 1786980054, "skeleton": "YWTCKCDZDARXQW", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC1··········cccc1", "total": 7.173, "axes": {"activity": 3.72, "binding": 0.77, "selectivity": 0.0, "admet": 1.27, "novelty": 0.83, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.823, "fraction": 0.124}, "binding": {"pIC50": 4.62, "LE": 0.301, "potency_term": 0.038, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.275, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.684, "per_endpoint": {"solubility-aqsoldb": 0.912, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.378, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "2", "pAct_q10": 4.823142581326017, "aff_pf": 1.3833452860514324, "aff_hs": 1.9335745573043823, "repeats_pf": {"runs": 3, "values": [1.2026, 1.4211, 1.5264], "mean": 1.3833, "spread": 0.3238}, "repeats_hs": {"runs": 3, "values": [1.8639, 1.9262, 2.0107], "mean": 1.9336, "spread": 0.1468}, "at": 1786980054}, "tier": 1, "relegate_reason": [], "submitted_at": 1786977277, "scored_at": 1786980054, "alerts": [], "rank": 5944}, {"candidate_id": "ODC-83671C", "res_at": 1787270566, "skeleton": "FERNGPPWOFLOEX", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCCCCc1ccc(S(=O)(=O)c2ccc3c(c2)CCO3)c(O)c1", "smiles_masked": null, "total": 7.158, "axes": {"activity": 2.21, "binding": 2.38, "selectivity": 0.5, "admet": 0.68, "novelty": 0.8, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.477, "fraction": 0.074}, "binding": {"pIC50": 5.36, "LE": 0.306, "potency_term": 0.119, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.212, "target_engagement": 0.119}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.468, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.314, "ld50-zhu": 0.384, "herg": 0.33, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "3", "pAct_q10": 4.477180336447049, "aff_pf": 0.6437235474586487, "aff_hs": 1.0684670209884644, "repeats_pf": {"runs": 3, "values": [0.6741, 0.7012, 0.5558], "mean": 0.6437, "spread": 0.1453}, "repeats_hs": {"runs": 3, "values": [1.0718, 1.1513, 0.9824], "mean": 1.0685, "spread": 0.1689}, "at": 1787270566}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269821, "scored_at": 1787270566, "alerts": [], "rank": 5945}, {"candidate_id": "ODC-2E0EF6", "res_at": 1786990906, "skeleton": "QTSSTKLLRWPNIK", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········c2)o1", "total": 7.118, "axes": {"activity": 1.59, "binding": 2.67, "selectivity": 0.0, "admet": 1.26, "novelty": 0.99, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.346, "fraction": 0.053}, "binding": {"pIC50": 5.4, "LE": 0.336, "potency_term": 0.133, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.133}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.585, "cyp3a4-substrate-carbonmangels": 0.611, "ld50-zhu": 0.536, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 4.345957645706196, "aff_pf": 0.5996532638867696, "aff_hs": 0.19589206327994665, "repeats_pf": {"runs": 3, "values": [0.5975, 0.651, 0.5505], "mean": 0.5997, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [0.3175, 0.1457, 0.1244], "mean": 0.1959, "spread": 0.1931}, "at": 1786990906}, "tier": 1, "relegate_reason": [], "submitted_at": 1786990568, "scored_at": 1786990906, "alerts": [], "rank": 5946}, {"candidate_id": "ODC-1BF2B9", "res_at": 1786961328, "skeleton": "IYOGCCYSIZQJBN", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 7.111, "axes": {"activity": 3.8, "binding": 0.75, "selectivity": 0.0, "admet": 1.05, "novelty": 0.88, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 4.828, "fraction": 0.127}, "binding": {"pIC50": 4.62, "LE": 0.288, "potency_term": 0.039, "efficiency_cap": 0.96}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.55, "per_endpoint": {"solubility-aqsoldb": 0.52, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.815, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.291, "herg": 0.242, "dili": 0.571}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "2", "pAct_q10": 4.8282990290276855, "aff_pf": 1.3772215445836384, "aff_hs": 1.0298339327176411, "repeats_pf": {"runs": 3, "values": [1.5477, 1.4577, 1.1263], "mean": 1.3772, "spread": 0.4214}, "repeats_hs": {"runs": 3, "values": [1.1075, 1.1335, 0.8485], "mean": 1.0298, "spread": 0.285}, "at": 1786961328}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959826, "scored_at": 1786961328, "alerts": [], "rank": 5947}, {"candidate_id": "ODC-7362D9", "res_at": 1788782951, "skeleton": "YJQBWTSRYGVWQN", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Hermes Agent + RDKit MPO Pipeline", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········2)c1O", "total": 7.081, "axes": {"activity": 2.33, "binding": 2.24, "selectivity": 0.25, "admet": 0.91, "novelty": 0.79, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.74, "fraction": 0.078}, "binding": {"pIC50": 5.34, "LE": 0.305, "potency_term": 0.112, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.113, "target_engagement": 0.112}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.79, "ld50-zhu": 0.478, "herg": 0.109, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "0", "pAct_q10": 4.739932879894515, "aff_pf": 0.663265069325765, "aff_hs": 0.889748195807139, "repeats_pf": {"runs": 3, "values": [0.6567, 0.7001, 0.6331], "mean": 0.6633, "spread": 0.067}, "repeats_hs": {"runs": 3, "values": [1.0018, 0.842, 0.8255], "mean": 0.8897, "spread": 0.1763}, "at": 1788782951}, "tier": 1, "alerts": [], "total_sd": 0.244, "total_ci95": [6.524, 7.492], "relegate_reason": [], "submitted_at": 1788705629, "scored_at": 1788782951, "rank": 5948}, {"candidate_id": "ODC-1383BD", "res_at": 1786860673, "skeleton": "YOKCHOPRAARVPH", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········)F)c1", "total": 7.037, "axes": {"activity": 4.06, "binding": 0.91, "selectivity": 0.0, "admet": 0.58, "novelty": 0.81, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.843, "fraction": 0.135}, "binding": {"pIC50": 4.77, "LE": 0.242, "potency_term": 0.057, "efficiency_cap": 0.807}, "selectivity": {"fold": 4.0, "selectivity_term": 0.298, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.652, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.251, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.436, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "2", "pAct_q10": 4.843434123934679, "aff_pf": 1.2280690272649128, "aff_hs": 1.8249762058258057, "repeats_pf": {"runs": 3, "values": [1.2319, 1.3523, 1.1], "mean": 1.2281, "spread": 0.2523}, "repeats_hs": {"runs": 3, "values": [1.8428, 1.85, 1.7821], "mean": 1.825, "spread": 0.068}, "at": 1786860673}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850286, "scored_at": 1786860673, "alerts": [], "rank": 5949}, {"candidate_id": "ODC-42CABE", "res_at": 1787030032, "skeleton": "XCSHKZXBRNRVIZ", "hf_user": "epicsaga", "display_name": "PFD-03", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "NS(=O)(··········2)cc1", "total": 7.026, "axes": {"activity": 3.49, "binding": 1.27, "selectivity": 0.0, "admet": 0.95, "novelty": 0.74, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.81, "fraction": 0.116}, "binding": {"pIC50": 4.83, "LE": 0.288, "potency_term": 0.066, "efficiency_cap": 0.96}, "selectivity": {"fold": 1.6, "selectivity_term": 0.098, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.567, "caco2-wang": 0.648, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.85, "cyp3a4-substrate-carbonmangels": 0.384, "ld50-zhu": 0.305, "herg": 0.492, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "3", "pAct_q10": 4.809673764114059, "aff_pf": 1.1663800080617268, "aff_hs": 1.3623809019724529, "repeats_pf": {"runs": 3, "values": [1.2742, 1.1307, 1.0943], "mean": 1.1664, "spread": 0.1799}, "repeats_hs": {"runs": 3, "values": [1.2549, 1.3833, 1.4489], "mean": 1.3624, "spread": 0.194}, "at": 1787030032}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029641, "scored_at": 1787030032, "alerts": [], "rank": 5950}, {"candidate_id": "ODC-0A16BC", "res_at": 1787138476, "skeleton": "KRJWNHKSBHBACC", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········CC1=O", "total": 7.006, "axes": {"activity": 1.25, "binding": 3.27, "selectivity": 0.0, "admet": 1.23, "novelty": 0.44, "synthesis": 0.82}, "detail": {"activity": {"pAct_q10": 4.249, "fraction": 0.042}, "binding": {"pIC50": 5.49, "LE": 0.396, "potency_term": 0.164, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.164}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.647, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.648, "cyp3a4-substrate-carbonmangels": 0.63, "ld50-zhu": 0.06, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.729, "novelty": 0.271}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 4.249341414655286, "aff_pf": 0.509472926457723, "aff_hs": 0.30035485823949176, "repeats_pf": {"runs": 3, "values": [0.512, 0.438, 0.5784], "mean": 0.5095, "spread": 0.1405}, "repeats_hs": {"runs": 3, "values": [0.3499, 0.2459, 0.3053], "mean": 0.3004, "spread": 0.1041}, "at": 1787138476}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787137557, "scored_at": 1787138476, "rank": 5951}, {"candidate_id": "ODC-5808B5", "res_at": 1787022218, "skeleton": "PRXSQZAGEGDXGE", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc2··········)c2c1", "total": 7.001, "axes": {"activity": 0.92, "binding": 2.8, "selectivity": 0.64, "admet": 1.26, "novelty": 0.69, "synthesis": 0.7}, "detail": {"activity": {"pAct_q10": 4.655, "fraction": 0.031}, "binding": {"pIC50": 5.42, "LE": 0.371, "potency_term": 0.14, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.228, "target_engagement": 0.14}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.604, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.613, "herg": 0.776, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.509, "novelty": 0.491}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "2", "pAct_q10": 4.654959808476738, "aff_pf": 0.5804198582967123, "aff_hs": 1.036120335261027, "repeats_pf": {"runs": 3, "values": [0.6003, 0.503, 0.6379], "mean": 0.5804, "spread": 0.1349}, "repeats_hs": {"runs": 3, "values": [0.891, 1.1763, 1.041], "mean": 1.0361, "spread": 0.2853}, "at": 1787022218}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021436, "scored_at": 1787022218, "alerts": [], "rank": 5952}, {"candidate_id": "ODC-61D44B", "res_at": 1787249316, "skeleton": "PLGDEAHZSCNGNY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 6.963, "axes": {"activity": 3.02, "binding": 1.97, "selectivity": 0.0, "admet": 0.84, "novelty": 0.63, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.781, "fraction": 0.101}, "binding": {"pIC50": 5.3, "LE": 0.345, "potency_term": 0.098, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.098}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.331, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.657, "ld50-zhu": 0.408, "herg": 0.646, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 4.781150308356067, "aff_pf": 0.7048059105873108, "aff_hs": 0.670689046382904, "repeats_pf": {"runs": 3, "values": [0.7311, 0.6401, 0.7433], "mean": 0.7048, "spread": 0.1032}, "repeats_hs": {"runs": 3, "values": [0.7115, 0.716, 0.5846], "mean": 0.6707, "spread": 0.1314}, "at": 1787249316}, "tier": 1, "relegate_reason": [], "submitted_at": 1787241905, "scored_at": 1787249316, "alerts": [], "rank": 5953}, {"candidate_id": "ODC-9ADD22", "res_at": 1786869466, "skeleton": "NLSYIIJNLBRKMT", "hf_user": "route-rude", "display_name": "WONNOW-SuperDaddy", "model_name": "Gemini", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········2)cs1", "total": 6.956, "axes": {"activity": 3.83, "binding": 0.89, "selectivity": 0.0, "admet": 0.89, "novelty": 0.7, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.83, "fraction": 0.128}, "binding": {"pIC50": 4.69, "LE": 0.292, "potency_term": 0.046, "efficiency_cap": 0.973}, "selectivity": {"fold": 3.2, "selectivity_term": 0.252, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.626, "ld50-zhu": 0.507, "herg": 0.96, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "2", "pAct_q10": 4.830094056128493, "aff_pf": 1.3124894698460896, "aff_hs": 1.81618070602417, "repeats_pf": {"runs": 3, "values": [1.3546, 1.3758, 1.2071], "mean": 1.3125, "spread": 0.1687}, "repeats_hs": {"runs": 3, "values": [1.8213, 1.8612, 1.7661], "mean": 1.8162, "spread": 0.0951}, "at": 1786869466}, "tier": 1, "relegate_reason": [], "submitted_at": 1786860941, "scored_at": 1786869466, "alerts": [], "rank": 5954}, {"candidate_id": "ODC-441114", "res_at": 1786978111, "skeleton": "CLLUVSPJXTXMBF", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(CCC··········cccc1", "total": 6.955, "axes": {"activity": 4.23, "binding": 0.14, "selectivity": 0.0, "admet": 1.04, "novelty": 0.93, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.854, "fraction": 0.141}, "binding": {"pIC50": 4.08, "LE": 0.207, "potency_term": 0.01, "efficiency_cap": 0.689}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.49, "per_endpoint": {"solubility-aqsoldb": 0.824, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 0.05, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.769, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.337, "novelty": 0.663}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.85390929641755, "aff_pf": 1.9240022897720337, "aff_hs": 2.0790942509969077, "repeats_pf": {"runs": 3, "values": [1.7007, 2.1275, 1.9439], "mean": 1.924, "spread": 0.4268}, "repeats_hs": {"runs": 3, "values": [2.0216, 2.0606, 2.1551], "mean": 2.0791, "spread": 0.1335}, "at": 1786978111}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976421, "scored_at": 1786978111, "alerts": [], "rank": 5955}, {"candidate_id": "ODC-00AF3F", "res_at": 1786961526, "skeleton": "ONTKJDLBGLYRRU", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCNC(=O··········nc1CC", "total": 6.928, "axes": {"activity": 0.78, "binding": 3.13, "selectivity": 0.28, "admet": 1.09, "novelty": 0.96, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.647, "fraction": 0.026}, "binding": {"pIC50": 5.47, "LE": 0.3, "potency_term": 0.157, "efficiency_cap": 0.999}, "selectivity": {"fold": 1.5, "selectivity_term": 0.09, "target_engagement": 0.157}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.936, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.53, "dili": 0.155}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.64694242080196, "aff_pf": 0.5302370886007944, "aff_hs": 0.7102314829826355, "repeats_pf": {"runs": 3, "values": [0.4742, 0.4992, 0.6173], "mean": 0.5302, "spread": 0.143}, "repeats_hs": {"runs": 3, "values": [0.7389, 0.7075, 0.6843], "mean": 0.7102, "spread": 0.0546}, "at": 1786961526}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959830, "scored_at": 1786961526, "alerts": [], "rank": 5956}, {"candidate_id": "ODC-AE49A5", "res_at": 1786976994, "skeleton": "DGEDGBRXUVPYAC", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "OCCCCNC··········cccc1", "total": 6.851, "axes": {"activity": 3.93, "binding": 0.17, "selectivity": 0.0, "admet": 1.3, "novelty": 0.83, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.836, "fraction": 0.131}, "binding": {"pIC50": 4.11, "LE": 0.245, "potency_term": 0.011, "efficiency_cap": 0.815}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.662, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 0.961, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.379, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 4.835929514102779, "aff_pf": 1.8935449918111165, "aff_hs": 1.986565113067627, "repeats_pf": {"runs": 3, "values": [1.7876, 2.1019, 1.7912], "mean": 1.8935, "spread": 0.3143}, "repeats_hs": {"runs": 3, "values": [2.1806, 2.207, 1.5721], "mean": 1.9866, "spread": 0.6348}, "at": 1786976994}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975751, "scored_at": 1786976994, "alerts": [], "rank": 5957}, {"candidate_id": "ODC-24A666", "res_at": 1786813891, "skeleton": "HEDRGAFLNHXEAS", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1noc(··········ncc1F", "total": 6.792, "axes": {"activity": 4.24, "binding": 0.06, "selectivity": 0.0, "admet": 0.88, "novelty": 0.91, "synthesis": 0.71}, "detail": {"activity": {"pAct_q10": 4.854, "fraction": 0.141}, "binding": {"pIC50": 5.01, "LE": 0.298, "potency_term": 0.003, "efficiency_cap": 0.995}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.003}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.946, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.264, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.22}}, "run": {"gpu": "3", "pAct_q10": 4.85433293980168, "aff_pf": 0.9902577797571818, "aff_hs": 0.7470237612724304, "repeats_pf": {"runs": 3, "values": [0.9628, 1.0866, 0.9214], "mean": 0.9903, "spread": 0.1651}, "repeats_hs": {"runs": 3, "values": [0.6755, 0.8596, 0.706], "mean": 0.747, "spread": 0.184}, "at": 1786813891}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789498, "scored_at": 1786813891, "alerts": [], "rank": 5958}, {"candidate_id": "ODC-AA275B", "res_at": 1787023474, "skeleton": "FZSOCMSKTDXZPY", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cnc(··········2)nn1", "total": 6.789, "axes": {"activity": 3.3, "binding": 1.2, "selectivity": 0.0, "admet": 1.09, "novelty": 0.76, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.798, "fraction": 0.11}, "binding": {"pIC50": 5.18, "LE": 0.374, "potency_term": 0.06, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.06}, "admet": {"geometric_mean": 0.659, "per_endpoint": {"solubility-aqsoldb": 0.581, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.104, "ld50-zhu": 0.392, "herg": 0.958, "dili": 0.681}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 4.798165288362774, "aff_pf": 0.8200160463651022, "aff_hs": 0.6301216880480448, "repeats_pf": {"runs": 3, "values": [0.7758, 0.877, 0.8072], "mean": 0.82, "spread": 0.1012}, "repeats_hs": {"runs": 3, "values": [0.6073, 0.6192, 0.6638], "mean": 0.6301, "spread": 0.0565}, "at": 1787023474}, "tier": 1, "relegate_reason": [], "submitted_at": 1787022870, "scored_at": 1787023474, "alerts": [], "rank": 5959}, {"candidate_id": "ODC-15E420", "res_at": 1789499601, "skeleton": "LZRFLSFWBDJJBE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 6.787, "axes": {"activity": 3.58, "binding": 0.55, "selectivity": 0.0, "admet": 1.35, "novelty": 0.7, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.815, "fraction": 0.119}, "binding": {"pIC50": 4.49, "LE": 0.341, "potency_term": 0.028, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.753, "per_endpoint": {"solubility-aqsoldb": 0.671, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.803, "cyp3a4-substrate-carbonmangels": 0.359, "ld50-zhu": 0.371, "herg": 0.799, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 1.94}}, "run": {"gpu": "0", "pAct_q10": 4.815072765499491, "aff_pf": 1.5144727230072021, "aff_hs": 1.244166096051534, "repeats_pf": {"runs": 3, "values": [1.5273, 1.3143, 1.7017], "mean": 1.5145, "spread": 0.3874}, "repeats_hs": {"runs": 3, "values": [1.1514, 1.0355, 1.5457], "mean": 1.2442, "spread": 0.5102}, "at": 1789499601}, "tier": 1, "alerts": [], "total_sd": 0.136, "total_ci95": [6.634, 7.145], "relegate_reason": [], "submitted_at": 1789491507, "scored_at": 1789499601, "rank": 5960}, {"candidate_id": "ODC-3AA6F3", "res_at": 1789512189, "skeleton": "KHMKJFIMEMIOGJ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 6.778, "axes": {"activity": 3.91, "binding": 0.53, "selectivity": 0.0, "admet": 0.9, "novelty": 0.79, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.834, "fraction": 0.13}, "binding": {"pIC50": 4.53, "LE": 0.259, "potency_term": 0.031, "efficiency_cap": 0.862}, "selectivity": {"fold": 1.8, "selectivity_term": 0.126, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.462, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.883, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.169, "cyp2c9-veith": 0.096, "cyp3a4-substrate-carbonmangels": 0.296, "ld50-zhu": 0.537, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "0", "pAct_q10": 4.834411412923238, "aff_pf": 1.471184531847636, "aff_hs": 1.723655899365743, "repeats_pf": {"runs": 3, "values": [1.4138, 1.6961, 1.3036], "mean": 1.4712, "spread": 0.3925}, "repeats_hs": {"runs": 3, "values": [1.8815, 1.7993, 1.4902], "mean": 1.7237, "spread": 0.3913}, "at": 1789512189}, "tier": 1, "alerts": [], "total_sd": 0.134, "total_ci95": [6.534, 7.084], "relegate_reason": [], "submitted_at": 1789495249, "scored_at": 1789512189, "rank": 5961}, {"candidate_id": "ODC-CB1113", "res_at": 1786946800, "skeleton": "JRMUBGMVNJGJRN", "hf_user": "takutoyo", "display_name": "PfD-01", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cc··········3)c12", "total": 6.774, "axes": {"activity": 3.27, "binding": 1.63, "selectivity": 0.0, "admet": 0.65, "novelty": 0.71, "synthesis": 0.51}, "detail": {"activity": {"pAct_q10": 4.796, "fraction": 0.109}, "binding": {"pIC50": 5.27, "LE": 0.277, "potency_term": 0.088, "efficiency_cap": 0.925}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.088}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.322, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.702, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 4.79629882198247, "aff_pf": 0.7349586486816406, "aff_hs": 0.23328488071759543, "repeats_pf": {"runs": 3, "values": [0.655, 0.7482, 0.8017], "mean": 0.735, "spread": 0.1466}, "repeats_hs": {"runs": 3, "values": [0.2122, 0.2202, 0.2675], "mean": 0.2333, "spread": 0.0552}, "at": 1786946800}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935023, "scored_at": 1786946800, "alerts": [], "rank": 5962}, {"candidate_id": "ODC-DF0A9E", "res_at": 1787395182, "skeleton": "CEXXGWWTAKCSTC", "hf_user": "jlee277", "display_name": "Agent_KIM", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(-··········=O)n1", "total": 6.774, "axes": {"activity": 3.86, "binding": 0.2, "selectivity": 0.0, "admet": 1.22, "novelty": 0.87, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.832, "fraction": 0.129}, "binding": {"pIC50": 4.13, "LE": 0.269, "potency_term": 0.011, "efficiency_cap": 0.898}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.548, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.41, "ld50-zhu": 0.378, "herg": 1.0, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.831732398482916, "aff_pf": 1.869093378384908, "aff_hs": 1.8220592737197876, "repeats_pf": {"runs": 3, "values": [1.8607, 1.8652, 1.8814], "mean": 1.8691, "spread": 0.0208}, "repeats_hs": {"runs": 3, "values": [1.8369, 1.7489, 1.8804], "mean": 1.8221, "spread": 0.1315}, "at": 1787395182}, "tier": 1, "relegate_reason": [], "submitted_at": 1787394798, "scored_at": 1787395182, "alerts": [], "rank": 5963}, {"candidate_id": "ODC-397FB3", "res_at": 1786826083, "skeleton": "WJMLQMOZBKGLCA", "hf_user": "JIYEONKO", "display_name": "jiyeon kim_ko", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc2··········cnn12", "total": 6.766, "axes": {"activity": 2.81, "binding": 1.93, "selectivity": 0.0, "admet": 0.93, "novelty": 0.63, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.768, "fraction": 0.094}, "binding": {"pIC50": 4.99, "LE": 0.31, "potency_term": 0.096, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.643, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.869, "cyp3a4-substrate-carbonmangels": 0.379, "ld50-zhu": 0.76, "herg": 0.982, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 4.768408252188825, "aff_pf": 1.0145691434542339, "aff_hs": 0.6433533032735189, "repeats_pf": {"runs": 3, "values": [1.0026, 1.0806, 0.9605], "mean": 1.0146, "spread": 0.1201}, "repeats_hs": {"runs": 3, "values": [0.5422, 0.6825, 0.7053], "mean": 0.6434, "spread": 0.1631}, "at": 1786826083}, "tier": 1, "relegate_reason": [], "submitted_at": 1786791348, "scored_at": 1786826083, "alerts": [], "rank": 5964}, {"candidate_id": "ODC-6AF26C", "res_at": 1787948584, "skeleton": "ATOQTBWNRLXPBF", "hf_user": "dlghkdueo", "display_name": "SOMANG-C2", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········ccc12", "total": 6.751, "axes": {"activity": 0.54, "binding": 2.7, "selectivity": 0.93, "admet": 1.12, "novelty": 0.95, "synthesis": 0.52}, "detail": {"activity": {"pAct_q10": 4.632, "fraction": 0.018}, "binding": {"pIC50": 5.4, "LE": 0.309, "potency_term": 0.135, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.9, "selectivity_term": 0.346, "target_engagement": 0.135}, "admet": {"geometric_mean": 0.553, "per_endpoint": {"solubility-aqsoldb": 0.51, "caco2-wang": 0.779, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.822, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.831, "herg": 0.05, "dili": 0.621}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 4.63221669517138, "aff_pf": 0.5953356822331747, "aff_hs": 1.2874476114908855, "repeats_pf": {"runs": 3, "values": [0.5977, 0.6611, 0.5272], "mean": 0.5953, "spread": 0.1339}, "repeats_hs": {"runs": 3, "values": [1.2616, 1.2727, 1.328], "mean": 1.2874, "spread": 0.0664}, "at": 1787948584}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936871, "scored_at": 1787948584, "alerts": [], "rank": 5965}, {"candidate_id": "ODC-9697C2", "res_at": 1788785290, "skeleton": "UFZQTSZEKKLSQG", "hf_user": "Bio-JS", "display_name": "0907-S1-01", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 6.745, "axes": {"activity": 2.59, "binding": 2.17, "selectivity": 0.0, "admet": 0.96, "novelty": 0.48, "synthesis": 0.54}, "detail": {"activity": {"pAct_q10": 4.541, "fraction": 0.086}, "binding": {"pIC50": 5.33, "LE": 0.347, "potency_term": 0.109, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.978, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.48, "cyp3a4-substrate-carbonmangels": 0.809, "ld50-zhu": 0.677, "herg": 0.597, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 4.541084197058019, "aff_pf": 0.6741187969843546, "aff_hs": 0.08900805314381917, "repeats_pf": {"runs": 3, "values": [0.6646, 0.6018, 0.756], "mean": 0.6741, "spread": 0.1542}, "repeats_hs": {"runs": 3, "values": [0.1315, 0.0779, 0.0575], "mean": 0.089, "spread": 0.074}, "at": 1788785290}, "tier": 1, "alerts": [], "total_sd": 0.449, "total_ci95": [5.792, 7.668], "relegate_reason": [], "submitted_at": 1788707642, "scored_at": 1788785290, "rank": 5966}, {"candidate_id": "ODC-EEACA3", "res_at": 1788894008, "skeleton": "NSEBGGKBKOZURG", "hf_user": "trblnfxn", "display_name": "DZB-OCH3", "model_name": "DZB-v1-docking", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········c2)c1", "total": 6.725, "axes": {"activity": 3.71, "binding": 0.73, "selectivity": 0.0, "admet": 0.98, "novelty": 0.76, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.823, "fraction": 0.124}, "binding": {"pIC50": 4.66, "LE": 0.255, "potency_term": 0.043, "efficiency_cap": 0.851}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.481, "caco2-wang": 0.762, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.178, "cyp3a4-substrate-carbonmangels": 0.451, "ld50-zhu": 0.267, "herg": 0.731, "dili": 0.122}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "0", "pAct_q10": 4.822892404516004, "aff_pf": 1.3411986430486043, "aff_hs": 0.697850247224172, "repeats_pf": {"runs": 3, "values": [1.2929, 1.2107, 1.52], "mean": 1.3412, "spread": 0.3093}, "repeats_hs": {"runs": 3, "values": [0.7364, 0.6796, 0.6775], "mean": 0.6979, "spread": 0.0589}, "at": 1788894008}, "tier": 1, "alerts": [], "total_sd": 0.141, "total_ci95": [6.446, 6.959], "relegate_reason": [], "submitted_at": 1788889072, "scored_at": 1788894008, "rank": 5967}, {"candidate_id": "ODC-86D760", "res_at": 1788078670, "skeleton": "SBWLKUWPNYEHNO", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········cc2s1", "total": 6.722, "axes": {"activity": 1.49, "binding": 2.48, "selectivity": 0.67, "admet": 0.86, "novelty": 0.6, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.32, "fraction": 0.05}, "binding": {"pIC50": 5.37, "LE": 0.368, "potency_term": 0.124, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.2, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.123, "herg": 0.488, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 1.7}}, "run": {"gpu": "0", "pAct_q10": 4.320458701475927, "aff_pf": 0.6279230117797852, "aff_hs": 1.1672082742055256, "repeats_pf": {"runs": 3, "values": [0.7588, 0.5858, 0.5392], "mean": 0.6279, "spread": 0.2196}, "repeats_hs": {"runs": 3, "values": [1.2959, 1.0041, 1.2017], "mean": 1.1672, "spread": 0.2918}, "at": 1788078670}, "tier": 1, "alerts": [], "total_sd": 0.79, "total_ci95": [5.523, 8.154], "relegate_reason": [], "submitted_at": 1788028921, "scored_at": 1788078670, "rank": 5968}, {"candidate_id": "ODC-595912", "res_at": 1788323715, "skeleton": "WNGLXDQRJCYCQN", "hf_user": "Hyeon-Min", "display_name": "Qoka", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nn(C··········F)cc1", "total": 6.717, "axes": {"activity": 3.92, "binding": 0.18, "selectivity": 0.05, "admet": 1.16, "novelty": 0.77, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.835, "fraction": 0.131}, "binding": {"pIC50": 5.03, "LE": 0.313, "potency_term": 0.009, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.273, "target_engagement": 0.009}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.931, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.583, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.368, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 2.57}}, "run": {"gpu": "3", "pAct_q10": 4.835303678997274, "aff_pf": 0.9730176329612732, "aff_hs": 1.5195037523905437, "repeats_pf": {"runs": 3, "values": [0.856, 1.1019, 0.9612], "mean": 0.973, "spread": 0.2459}, "repeats_hs": {"runs": 3, "values": [1.5313, 1.6147, 1.4125], "mean": 1.5195, "spread": 0.2023}, "at": 1788323715}, "tier": 1, "alerts": [], "total_sd": 0.68, "total_ci95": [6.713, 8.448], "relegate_reason": [], "submitted_at": 1788323518, "scored_at": 1788323715, "rank": 5969}, {"candidate_id": "ODC-4D23E0", "res_at": 1788455220, "skeleton": "BGAPMYXOHYNMGP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········(C)c1", "total": 6.711, "axes": {"activity": 3.57, "binding": 1.18, "selectivity": 0.0, "admet": 0.58, "novelty": 0.89, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.814, "fraction": 0.119}, "binding": {"pIC50": 5.27, "LE": 0.2, "potency_term": 0.088, "efficiency_cap": 0.668}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.088}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.105, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.715, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 4.814271047146626, "aff_pf": 0.7346233526865641, "aff_hs": 0.18431438505649567, "repeats_pf": {"runs": 3, "values": [0.8151, 0.6644, 0.7244], "mean": 0.7346, "spread": 0.1508}, "repeats_hs": {"runs": 3, "values": [0.2441, 0.1491, 0.1597], "mean": 0.1843, "spread": 0.095}, "at": 1788455220}, "tier": 1, "alerts": [], "total_sd": 0.165, "total_ci95": [6.34, 7.044], "relegate_reason": [], "submitted_at": 1788394144, "scored_at": 1788455220, "rank": 5970}, {"candidate_id": "ODC-C7CFC1", "res_at": 1789279936, "skeleton": "WMBAOTLZFNFNJT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(I··········ccc12", "total": 6.667, "axes": {"activity": 3.38, "binding": 1.45, "selectivity": 0.0, "admet": 0.56, "novelty": 0.72, "synthesis": 0.56}, "detail": {"activity": {"pAct_q10": 4.803, "fraction": 0.113}, "binding": {"pIC50": 4.91, "LE": 0.269, "potency_term": 0.081, "efficiency_cap": 0.898}, "selectivity": {"fold": 1.9, "selectivity_term": 0.141, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.827, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.075, "cyp3a4-substrate-carbonmangels": 0.518, "ld50-zhu": 0.63, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 4.802680121104812, "aff_pf": 1.0858718156814575, "aff_hs": 1.3687719504038494, "repeats_pf": {"runs": 3, "values": [1.1349, 1.0512, 1.0715], "mean": 1.0859, "spread": 0.0837}, "repeats_hs": {"runs": 3, "values": [1.2801, 1.4477, 1.3785], "mean": 1.3688, "spread": 0.1676}, "at": 1789279936}, "tier": 1, "alerts": [], "total_sd": 0.083, "total_ci95": [6.487, 6.809], "relegate_reason": [], "submitted_at": 1789279272, "scored_at": 1789279936, "rank": 5971}, {"candidate_id": "ODC-2375B0", "res_at": 1787201773, "skeleton": "UQDPDTROEVOSHT", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=C(NCc1ccccc1-c1cncnc1-c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1", "smiles_masked": null, "total": 6.666, "axes": {"activity": 4.32, "binding": 0.07, "selectivity": 0.0, "admet": 0.64, "novelty": 0.92, "synthesis": 0.72}, "detail": {"activity": {"pAct_q10": 4.859, "fraction": 0.144}, "binding": {"pIC50": 3.94, "LE": 0.142, "potency_term": 0.007, "efficiency_cap": 0.473}, "selectivity": {"fold": 1.5, "selectivity_term": 0.094, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.216, "caco2-wang": 0.484, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.285, "herg": 0.109, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.361, "novelty": 0.639}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 4.859139714964019, "aff_pf": 2.0604934692382812, "aff_hs": 2.2487457593282065, "repeats_pf": {"runs": 3, "values": [2.0713, 2.0611, 2.0491], "mean": 2.0605, "spread": 0.0222}, "repeats_hs": {"runs": 3, "values": [2.2663, 2.2556, 2.2244], "mean": 2.2487, "spread": 0.0419}, "at": 1787201773}, "tier": 1, "relegate_reason": [], "submitted_at": 1787197469, "scored_at": 1787201773, "alerts": [], "rank": 5972}, {"candidate_id": "ODC-E8F365", "res_at": 1788508668, "skeleton": "IZDCRYGLQAIWIR", "hf_user": "dlghkdueo", "display_name": "R6-F1", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)c1Cl", "total": 6.656, "axes": {"activity": 2.9, "binding": 1.57, "selectivity": 0.3, "admet": 0.77, "novelty": 0.64, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.586, "fraction": 0.097}, "binding": {"pIC50": 5.24, "LE": 0.342, "potency_term": 0.078, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.188, "target_engagement": 0.078}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.928, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.238, "ld50-zhu": 0.426, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "0", "pAct_q10": 4.586363634487457, "aff_pf": 0.7648497819900513, "aff_hs": 1.1417766014734905, "repeats_pf": {"runs": 3, "values": [0.7627, 0.7739, 0.758], "mean": 0.7648, "spread": 0.0158}, "repeats_hs": {"runs": 3, "values": [0.9514, 1.2099, 1.2641], "mean": 1.1418, "spread": 0.3127}, "at": 1788508668}, "tier": 1, "alerts": [], "total_sd": 0.071, "total_ci95": [6.513, 6.786], "relegate_reason": [], "submitted_at": 1788448345, "scored_at": 1788508668, "rank": 5973}, {"candidate_id": "ODC-657D7F", "res_at": 1787218824, "skeleton": "QPODBMZUFDSTQW", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········)(C)C", "total": 6.655, "axes": {"activity": 0.4, "binding": 3.08, "selectivity": 0.53, "admet": 0.97, "novelty": 0.9, "synthesis": 0.77}, "detail": {"activity": {"pAct_q10": 4.624, "fraction": 0.013}, "binding": {"pIC50": 5.46, "LE": 0.34, "potency_term": 0.154, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.2, "selectivity_term": 0.173, "target_engagement": 0.154}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.775, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.926, "cyp2c9-veith": 0.371, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.186, "herg": 0.714, "dili": 0.368}}, "novelty": {"max_tanimoto": 0.415, "novelty": 0.585}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "3", "pAct_q10": 4.623954402737612, "aff_pf": 0.5375092426935831, "aff_hs": 0.8828367392222086, "repeats_pf": {"runs": 3, "values": [0.5196, 0.5174, 0.5756], "mean": 0.5375, "spread": 0.0582}, "repeats_hs": {"runs": 3, "values": [0.9151, 0.8394, 0.894], "mean": 0.8828, "spread": 0.0758}, "at": 1787218824}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217124, "scored_at": 1787218824, "alerts": [], "rank": 5974}, {"candidate_id": "ODC-7BF2D3", "res_at": 1787904423, "skeleton": "FSSFDMURGMHOET", "hf_user": "Bio-JS", "display_name": "코어교체: 이미다조[1,2-a]피리미딘", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnn12", "total": 6.646, "axes": {"activity": 1.5, "binding": 2.31, "selectivity": 0.69, "admet": 0.95, "novelty": 0.63, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.69, "fraction": 0.05}, "binding": {"pIC50": 5.35, "LE": 0.349, "potency_term": 0.115, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.9, "selectivity_term": 0.297, "target_engagement": 0.115}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.901, "cyp3a4-substrate-carbonmangels": 0.611, "ld50-zhu": 0.319, "herg": 0.356, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "0", "pAct_q10": 4.690035462642533, "aff_pf": 0.6541510820388794, "aff_hs": 1.2488481601079304, "repeats_pf": {"runs": 3, "values": [0.7195, 0.6913, 0.5517], "mean": 0.6542, "spread": 0.1678}, "repeats_hs": {"runs": 3, "values": [1.2762, 1.2619, 1.2084], "mean": 1.2488, "spread": 0.0678}, "at": 1787904423}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889424, "scored_at": 1787904423, "alerts": [], "rank": 5975}, {"candidate_id": "ODC-01D567", "res_at": 1787448852, "skeleton": "NDAVBOYULCQGLD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········)F)c1", "total": 6.612, "axes": {"activity": 1.71, "binding": 2.41, "selectivity": 0.0, "admet": 1.08, "novelty": 0.83, "synthesis": 0.57}, "detail": {"activity": {"pAct_q10": 4.376, "fraction": 0.057}, "binding": {"pIC50": 5.36, "LE": 0.35, "potency_term": 0.121, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.121}, "admet": {"geometric_mean": 0.599, "per_endpoint": {"solubility-aqsoldb": 0.613, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.38, "ld50-zhu": 0.254, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.376240653781754, "aff_pf": 0.6381376385688782, "aff_hs": 0.2855672538280487, "repeats_pf": {"runs": 3, "values": [0.5463, 0.7383, 0.6298], "mean": 0.6381, "spread": 0.192}, "repeats_hs": {"runs": 3, "values": [0.3036, 0.2886, 0.2645], "mean": 0.2856, "spread": 0.0391}, "at": 1787448852}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448107, "scored_at": 1787448852, "alerts": [], "rank": 5976}, {"candidate_id": "ODC-72B199", "res_at": 1786881307, "skeleton": "CLOSHKBXWWLYJU", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)N··········ncc21", "total": 6.581, "axes": {"activity": 3.52, "binding": 0.75, "selectivity": 0.0, "admet": 0.96, "novelty": 0.89, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.811, "fraction": 0.117}, "binding": {"pIC50": 5.12, "LE": 0.292, "potency_term": 0.038, "efficiency_cap": 0.973}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.038}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.424, "ld50-zhu": 0.929, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 4.811321010556767, "aff_pf": 0.8848726352055868, "aff_hs": 0.6304956078529358, "repeats_pf": {"runs": 3, "values": [0.8879, 0.8869, 0.8798], "mean": 0.8849, "spread": 0.0081}, "repeats_hs": {"runs": 3, "values": [0.7636, 0.5483, 0.5795], "mean": 0.6305, "spread": 0.2154}, "at": 1786881307}, "tier": 1, "relegate_reason": [], "submitted_at": 1786872744, "scored_at": 1786881307, "alerts": [], "rank": 5977}, {"candidate_id": "ODC-A31524", "res_at": 1786947740, "skeleton": "AYZKIUJNUKJSSL", "hf_user": "takutoyo", "display_name": "PfD-07", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)Oc··········3)cc1", "total": 6.578, "axes": {"activity": 3.8, "binding": 0.23, "selectivity": 0.06, "admet": 1.06, "novelty": 0.82, "synthesis": 0.61}, "detail": {"activity": {"pAct_q10": 4.828, "fraction": 0.127}, "binding": {"pIC50": 5.04, "LE": 0.287, "potency_term": 0.012, "efficiency_cap": 0.958}, "selectivity": {"fold": 3.1, "selectivity_term": 0.249, "target_engagement": 0.012}, "admet": {"geometric_mean": 0.557, "per_endpoint": {"solubility-aqsoldb": 0.287, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.896, "cyp2c9-veith": 0.547, "cyp3a4-substrate-carbonmangels": 0.852, "ld50-zhu": 0.531, "herg": 0.316, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 4.827742354003584, "aff_pf": 0.9635345141092936, "aff_hs": 1.4618358612060547, "repeats_pf": {"runs": 3, "values": [1.0692, 1.0327, 0.7887], "mean": 0.9635, "spread": 0.2805}, "repeats_hs": {"runs": 3, "values": [1.3997, 1.5251, 1.4607], "mean": 1.4618, "spread": 0.1253}, "at": 1786947740}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935254, "scored_at": 1786947740, "alerts": [], "rank": 5978}, {"candidate_id": "ODC-ED80EB", "res_at": 1786950149, "skeleton": "OFCLXZGBHZXEKH", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)nn2C", "total": 6.564, "axes": {"activity": 1.88, "binding": 2.11, "selectivity": 0.64, "admet": 0.73, "novelty": 0.66, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.713, "fraction": 0.063}, "binding": {"pIC50": 5.34, "LE": 0.281, "potency_term": 0.113, "efficiency_cap": 0.937}, "selectivity": {"fold": 3.7, "selectivity_term": 0.286, "target_engagement": 0.113}, "admet": {"geometric_mean": 0.463, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.357, "cyp3a4-substrate-carbonmangels": 0.184, "ld50-zhu": 0.425, "herg": 0.356, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "2", "pAct_q10": 4.713093054610919, "aff_pf": 0.6624141534169515, "aff_hs": 1.2352995077768962, "repeats_pf": {"runs": 3, "values": [0.7449, 0.413, 0.8293], "mean": 0.6624, "spread": 0.4162}, "repeats_hs": {"runs": 3, "values": [1.2166, 1.2622, 1.2271], "mean": 1.2353, "spread": 0.0456}, "at": 1786950149}, "tier": 1, "relegate_reason": [], "submitted_at": 1786942853, "scored_at": 1786950149, "alerts": [], "rank": 5979}, {"candidate_id": "ODC-8F5ED5", "res_at": 1788982749, "skeleton": "QMRLADQTHCIRHF", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········Cl)c1", "total": 6.562, "axes": {"activity": 3.04, "binding": 1.27, "selectivity": 0.37, "admet": 0.73, "novelty": 0.65, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.782, "fraction": 0.101}, "binding": {"pIC50": 5.19, "LE": 0.323, "potency_term": 0.063, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 0.063}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.592, "ld50-zhu": 0.404, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.356, "novelty": 0.644}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "0", "pAct_q10": 4.78224575704548, "aff_pf": 0.8098362485567728, "aff_hs": 1.3937900066375732, "repeats_pf": {"runs": 3, "values": [0.9067, 0.786, 0.7368], "mean": 0.8098, "spread": 0.1699}, "repeats_hs": {"runs": 3, "values": [1.4059, 1.4539, 1.3216], "mean": 1.3938, "spread": 0.1324}, "at": 1788982749}, "tier": 1, "alerts": [], "total_sd": 0.38, "total_ci95": [6.017, 7.255], "relegate_reason": [], "submitted_at": 1788972254, "scored_at": 1788982749, "rank": 5980}, {"candidate_id": "ODC-C39ADE", "res_at": 1786935441, "skeleton": "XIEQHCHKYDJDJY", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 6.561, "axes": {"activity": 4.11, "binding": 0.21, "selectivity": 0.1, "admet": 0.71, "novelty": 0.76, "synthesis": 0.68}, "detail": {"activity": {"pAct_q10": 4.846, "fraction": 0.137}, "binding": {"pIC50": 5.04, "LE": 0.216, "potency_term": 0.014, "efficiency_cap": 0.72}, "selectivity": {"fold": 4.7, "selectivity_term": 0.335, "target_engagement": 0.014}, "admet": {"geometric_mean": 0.344, "per_endpoint": {"solubility-aqsoldb": 0.5, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 0.846, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.667, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.263, "herg": 0.065, "dili": 0.378}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 2.12}}, "run": {"gpu": "3", "pAct_q10": 4.846349528766943, "aff_pf": 0.9572179516156515, "aff_hs": 1.6277010440826416, "repeats_pf": {"runs": 3, "values": [0.9636, 1.1642, 0.7439], "mean": 0.9572, "spread": 0.4203}, "repeats_hs": {"runs": 3, "values": [1.5343, 1.5386, 1.8102], "mean": 1.6277, "spread": 0.276}, "at": 1786935441}, "tier": 1, "relegate_reason": [], "submitted_at": 1786926677, "scored_at": 1786935441, "alerts": [], "rank": 5981}, {"candidate_id": "ODC-54D814", "res_at": 1787556711, "skeleton": "MBFWAKWGDKKUKS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nnc··········C2)o1", "total": 6.556, "axes": {"activity": 3.56, "binding": 0.66, "selectivity": 0.0, "admet": 0.95, "novelty": 0.9, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.814, "fraction": 0.119}, "binding": {"pIC50": 5.1, "LE": 0.318, "potency_term": 0.033, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.841, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.579, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.506, "herg": 0.088, "dili": 0.996}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 4.813662338925079, "aff_pf": 0.9003897706667582, "aff_hs": 0.7094999949137369, "repeats_pf": {"runs": 3, "values": [0.7842, 0.9623, 0.9547], "mean": 0.9004, "spread": 0.178}, "repeats_hs": {"runs": 3, "values": [0.6579, 0.789, 0.6816], "mean": 0.7095, "spread": 0.1311}, "at": 1787556711}, "tier": 1, "relegate_reason": [], "submitted_at": 1787543916, "scored_at": 1787556711, "alerts": [], "rank": 5982}, {"candidate_id": "ODC-C4F227", "res_at": 1786856620, "skeleton": "NRXUEWSWTAQKII", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 6.551, "axes": {"activity": 2.76, "binding": 1.65, "selectivity": 0.46, "admet": 0.74, "novelty": 0.54, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.567, "fraction": 0.092}, "binding": {"pIC50": 5.25, "LE": 0.327, "potency_term": 0.082, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.932, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.898, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.298, "herg": 0.995, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 4.567170879443289, "aff_pf": 0.7527966499328613, "aff_hs": 1.313229004542033, "repeats_pf": {"runs": 3, "values": [0.7669, 0.75, 0.7416], "mean": 0.7528, "spread": 0.0253}, "repeats_hs": {"runs": 3, "values": [1.5925, 1.2591, 1.088], "mean": 1.3132, "spread": 0.5045}, "at": 1786856620}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848330, "scored_at": 1786856620, "alerts": [], "rank": 5983}, {"candidate_id": "ODC-410E6B", "res_at": 1786859588, "skeleton": "HBSOMSRRSDRCDG", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········3)cc1", "total": 6.544, "axes": {"activity": 2.77, "binding": 2.03, "selectivity": 0.0, "admet": 0.6, "novelty": 0.64, "synthesis": 0.51}, "detail": {"activity": {"pAct_q10": 4.568, "fraction": 0.092}, "binding": {"pIC50": 5.3, "LE": 0.303, "potency_term": 0.101, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.101}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.275, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.742, "ld50-zhu": 0.286, "herg": 0.542, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.11}}, "run": {"gpu": "3", "pAct_q10": 4.567858911773903, "aff_pf": 0.6955639521280924, "aff_hs": 0.6022939284642538, "repeats_pf": {"runs": 3, "values": [0.6993, 0.7112, 0.6762], "mean": 0.6956, "spread": 0.035}, "repeats_hs": {"runs": 3, "values": [0.6034, 0.5726, 0.6308], "mean": 0.6023, "spread": 0.0582}, "at": 1786859588}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850348, "scored_at": 1786859588, "alerts": [], "rank": 5984}, {"candidate_id": "ODC-A54EBB", "res_at": 1786917106, "skeleton": "JBAHNQWVYOUDOT", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········1COC1", "total": 6.513, "axes": {"activity": 3.58, "binding": 0.93, "selectivity": 0.0, "admet": 0.58, "novelty": 0.84, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.815, "fraction": 0.119}, "binding": {"pIC50": 4.77, "LE": 0.251, "potency_term": 0.056, "efficiency_cap": 0.837}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.988, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.433, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.814713857548115, "aff_pf": 1.2338300148646038, "aff_hs": 1.131747802098592, "repeats_pf": {"runs": 3, "values": [1.222, 1.3286, 1.1509], "mean": 1.2338, "spread": 0.1776}, "repeats_hs": {"runs": 3, "values": [1.3302, 0.9593, 1.1057], "mean": 1.1317, "spread": 0.3709}, "at": 1786917106}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915680, "scored_at": 1786917106, "alerts": [], "rank": 5985}, {"candidate_id": "ODC-6598D0", "res_at": 1787032610, "skeleton": "KPZWAUNGPSVJPK", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········ccc1O", "total": 6.496, "axes": {"activity": 2.86, "binding": 1.68, "selectivity": 0.0, "admet": 1.01, "novelty": 0.48, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.58, "fraction": 0.095}, "binding": {"pIC50": 5.25, "LE": 0.343, "potency_term": 0.084, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.084}, "admet": {"geometric_mean": 0.706, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.205, "cyp3a4-substrate-carbonmangels": 0.744, "ld50-zhu": 0.548, "herg": 0.933, "dili": 0.908}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 4.580439734929657, "aff_pf": 0.7481520374615988, "aff_hs": 0.6672985752423605, "repeats_pf": {"runs": 3, "values": [0.8181, 0.7441, 0.6823], "mean": 0.7482, "spread": 0.1359}, "repeats_hs": {"runs": 3, "values": [0.5901, 0.8108, 0.601], "mean": 0.6673, "spread": 0.2207}, "at": 1787032610}, "tier": 1, "relegate_reason": [], "submitted_at": 1787030781, "scored_at": 1787032610, "alerts": [], "rank": 5986}, {"candidate_id": "ODC-5856F0", "res_at": 1788891545, "skeleton": "HXHUDYRQYPKPOT", "hf_user": "trblnfxn", "display_name": "DZB-CH3", "model_name": "DZB-v1-docking", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccc··········c2)c1", "total": 6.488, "axes": {"activity": 3.1, "binding": 1.56, "selectivity": 0.0, "admet": 0.77, "novelty": 0.61, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.786, "fraction": 0.103}, "binding": {"pIC50": 4.93, "LE": 0.281, "potency_term": 0.083, "efficiency_cap": 0.937}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.883, "ld50-zhu": 0.262, "herg": 0.86, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 4.7857952179163386, "aff_pf": 1.0734144449234009, "aff_hs": 0.8401758472124735, "repeats_pf": {"runs": 3, "values": [1.1013, 1.0835, 1.0355], "mean": 1.0734, "spread": 0.0658}, "repeats_hs": {"runs": 3, "values": [0.7133, 0.927, 0.8803], "mean": 0.8402, "spread": 0.2137}, "at": 1788891545}, "tier": 1, "alerts": [], "total_sd": 0.07, "total_ci95": [6.374, 6.656], "relegate_reason": [], "submitted_at": 1788889051, "scored_at": 1788891545, "rank": 5987}, {"candidate_id": "ODC-9746C3", "res_at": 1788982489, "skeleton": "VMNXVWQYBGALDG", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········Cl)c1", "total": 6.474, "axes": {"activity": 2.57, "binding": 1.82, "selectivity": 0.44, "admet": 0.64, "novelty": 0.55, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.754, "fraction": 0.086}, "binding": {"pIC50": 5.27, "LE": 0.328, "potency_term": 0.091, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 0.845, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.562, "ld50-zhu": 0.323, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.398, "novelty": 0.602}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 4.754471695453089, "aff_pf": 0.7272055546442667, "aff_hs": 1.2115475336710613, "repeats_pf": {"runs": 3, "values": [0.7728, 0.64, 0.7688], "mean": 0.7272, "spread": 0.1328}, "repeats_hs": {"runs": 3, "values": [1.2307, 1.2052, 1.1987], "mean": 1.2115, "spread": 0.0321}, "at": 1788982489}, "tier": 1, "alerts": [], "total_sd": 0.442, "total_ci95": [5.968, 7.174], "relegate_reason": [], "submitted_at": 1788972242, "scored_at": 1788982489, "rank": 5988}, {"candidate_id": "ODC-2C98B6", "res_at": 1786972610, "skeleton": "UCIQFKNDJXXFNB", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1NC(··········2)CS1", "total": 6.473, "axes": {"activity": 1.6, "binding": 2.49, "selectivity": 0.0, "admet": 1.08, "novelty": 0.89, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.696, "fraction": 0.053}, "binding": {"pIC50": 5.37, "LE": 0.368, "potency_term": 0.124, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.124}, "admet": {"geometric_mean": 0.577, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.723, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.802, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.281, "novelty": 0.719}, "synthesis": {"sa_score": 3.68}}, "run": {"gpu": "2", "pAct_q10": 4.696271862262206, "aff_pf": 0.6269969840844473, "aff_hs": 0.14329766730467478, "repeats_pf": {"runs": 3, "values": [0.8553, 0.7436, 0.282], "mean": 0.627, "spread": 0.5733}, "repeats_hs": {"runs": 3, "values": [0.1773, 0.0187, 0.2339], "mean": 0.1433, "spread": 0.2152}, "at": 1786972610}, "tier": 1, "relegate_reason": [], "submitted_at": 1786972018, "scored_at": 1786972610, "alerts": [], "rank": 5989}, {"candidate_id": "ODC-28A893", "res_at": 1787076369, "skeleton": "RNXUVGTVXHDZCW", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 6.449, "axes": {"activity": 1.77, "binding": 1.87, "selectivity": 0.93, "admet": 0.86, "novelty": 0.62, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.706, "fraction": 0.059}, "binding": {"pIC50": 5.28, "LE": 0.301, "potency_term": 0.094, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.094}, "admet": {"geometric_mean": 0.615, "per_endpoint": {"solubility-aqsoldb": 0.77, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.889, "ld50-zhu": 0.289, "herg": 0.472, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 4.706175382024077, "aff_pf": 0.7193217674891154, "aff_hs": 1.710999329884847, "repeats_pf": {"runs": 3, "values": [0.6641, 0.6928, 0.801], "mean": 0.7193, "spread": 0.1369}, "repeats_hs": {"runs": 3, "values": [1.5641, 1.7445, 1.8243], "mean": 1.711, "spread": 0.2602}, "at": 1787076369}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066251, "scored_at": 1787076369, "alerts": [], "rank": 5990}, {"candidate_id": "ODC-8368A6", "res_at": 1786806645, "skeleton": "SPTMHJMJLHEKNF", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········)CC1O", "total": 6.436, "axes": {"activity": 2.83, "binding": 1.61, "selectivity": 0.0, "admet": 1.01, "novelty": 0.62, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.576, "fraction": 0.094}, "binding": {"pIC50": 4.91, "LE": 0.337, "potency_term": 0.08, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.717, "per_endpoint": {"solubility-aqsoldb": 0.582, "caco2-wang": 0.989, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.634, "herg": 1.0, "dili": 0.991}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 4.57618541322724, "aff_pf": 1.087444543838501, "aff_hs": 1.2050971190134685, "repeats_pf": {"runs": 3, "values": [1.0697, 1.1267, 1.066], "mean": 1.0874, "spread": 0.0607}, "repeats_hs": {"runs": 3, "values": [1.1875, 1.2821, 1.1456], "mean": 1.2051, "spread": 0.1365}, "at": 1786806645}, "tier": 1, "relegate_reason": [], "submitted_at": 1786788622, "scored_at": 1786806645, "alerts": [], "rank": 5991}, {"candidate_id": "ODC-98CDD0", "res_at": 1787022740, "skeleton": "DVDVFJQNNJSLFK", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········cc1Br", "total": 6.417, "axes": {"activity": 3.3, "binding": 0.97, "selectivity": 0.0, "admet": 0.84, "novelty": 0.78, "synthesis": 0.52}, "detail": {"activity": {"pAct_q10": 4.798, "fraction": 0.11}, "binding": {"pIC50": 4.71, "LE": 0.307, "potency_term": 0.049, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.072, "cyp3a4-substrate-carbonmangels": 0.766, "ld50-zhu": 0.464, "herg": 0.435, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.7982803470543605, "aff_pf": 1.2881364425023396, "aff_hs": 1.2647933165232341, "repeats_pf": {"runs": 3, "values": [1.1947, 1.3666, 1.303], "mean": 1.2881, "spread": 0.1719}, "repeats_hs": {"runs": 3, "values": [1.1012, 1.2934, 1.3998], "mean": 1.2648, "spread": 0.2985}, "at": 1787022740}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021468, "scored_at": 1787022740, "alerts": [], "rank": 5992}, {"candidate_id": "ODC-924A3A", "res_at": 1787219041, "skeleton": "IJXUXUHQFUCYBT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········C1CC1", "total": 6.409, "axes": {"activity": 1.57, "binding": 2.46, "selectivity": 0.0, "admet": 0.89, "novelty": 0.87, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.694, "fraction": 0.052}, "binding": {"pIC50": 5.37, "LE": 0.35, "potency_term": 0.123, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.123}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.818, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.212, "cyp2c9-veith": 0.594, "cyp3a4-substrate-carbonmangels": 0.573, "ld50-zhu": 0.386, "herg": 0.987, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 4.693995775835341, "aff_pf": 0.6304545601209005, "aff_hs": 0.5322360595067342, "repeats_pf": {"runs": 3, "values": [0.7282, 0.6125, 0.5506], "mean": 0.6305, "spread": 0.1776}, "repeats_hs": {"runs": 3, "values": [0.4581, 0.536, 0.6026], "mean": 0.5322, "spread": 0.1445}, "at": 1787219041}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217141, "scored_at": 1787219041, "alerts": [], "rank": 5993}, {"candidate_id": "ODC-46AAEB", "res_at": 1786978481, "skeleton": "PICSDHZIKKCQLO", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FCCOCC1··········cccc1", "total": 6.406, "axes": {"activity": 3.39, "binding": 0.41, "selectivity": 0.0, "admet": 1.31, "novelty": 0.77, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.803, "fraction": 0.113}, "binding": {"pIC50": 4.4, "LE": 0.274, "potency_term": 0.022, "efficiency_cap": 0.914}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.773, "per_endpoint": {"solubility-aqsoldb": 0.84, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.805, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "3", "pAct_q10": 4.8033702767551505, "aff_pf": 1.5984151760737102, "aff_hs": 1.268626093864441, "repeats_pf": {"runs": 3, "values": [1.826, 1.6424, 1.3269], "mean": 1.5984, "spread": 0.4991}, "repeats_hs": {"runs": 3, "values": [1.0906, 1.2675, 1.4477], "mean": 1.2686, "spread": 0.3571}, "at": 1786978481}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976464, "scored_at": 1786978481, "alerts": [], "rank": 5994}, {"candidate_id": "ODC-53F73F", "res_at": 1787918570, "skeleton": "QEGJYXDEACCTPQ", "hf_user": "Jojun8403", "display_name": "Warecube_jo", "model_name": "Meta ai", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········O)c21", "total": 6.358, "axes": {"activity": 3.39, "binding": 0.56, "selectivity": 0.02, "admet": 1.13, "novelty": 0.77, "synthesis": 0.49}, "detail": {"activity": {"pAct_q10": 4.804, "fraction": 0.113}, "binding": {"pIC50": 5.1, "LE": 0.25, "potency_term": 0.033, "efficiency_cap": 0.832}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.033}, "admet": {"geometric_mean": 0.666, "per_endpoint": {"solubility-aqsoldb": 0.718, "caco2-wang": 0.417, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.517, "herg": 1.0, "dili": 0.123}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 4.803596233656325, "aff_pf": 0.8995023171106974, "aff_hs": 0.9582734306653341, "repeats_pf": {"runs": 3, "values": [0.8741, 0.9437, 0.8807], "mean": 0.8995, "spread": 0.0696}, "repeats_hs": {"runs": 3, "values": [0.9094, 1.088, 0.8774], "mean": 0.9583, "spread": 0.2106}, "at": 1787918570}, "tier": 1, "relegate_reason": [], "submitted_at": 1787900699, "scored_at": 1787918570, "alerts": [], "rank": 5995}, {"candidate_id": "ODC-174F76", "res_at": 1786843889, "skeleton": "OVPZVJVWIAFSQQ", "hf_user": "1Dmeds", "display_name": "ODC26-SE-01", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········(O)s1", "total": 6.344, "axes": {"activity": 2.99, "binding": 1.53, "selectivity": 0.0, "admet": 0.78, "novelty": 0.59, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.599, "fraction": 0.1}, "binding": {"pIC50": 4.92, "LE": 0.281, "potency_term": 0.082, "efficiency_cap": 0.936}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.604, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.054, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.309, "herg": 0.774, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 4.598937022641829, "aff_pf": 1.0814046065012615, "aff_hs": 1.0486026604970295, "repeats_pf": {"runs": 3, "values": [1.1264, 1.093, 1.0249], "mean": 1.0814, "spread": 0.1015}, "repeats_hs": {"runs": 3, "values": [0.994, 1.0914, 1.0604], "mean": 1.0486, "spread": 0.0974}, "at": 1786843889}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832715, "scored_at": 1786843889, "alerts": [], "rank": 5996}, {"candidate_id": "ODC-CBC70F", "res_at": 1787075962, "skeleton": "BWWUHZDVPOJPRV", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1c(C(··········2)cc1", "total": 6.344, "axes": {"activity": 3.12, "binding": 1.07, "selectivity": 0.0, "admet": 1.01, "novelty": 0.72, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.787, "fraction": 0.104}, "binding": {"pIC50": 4.8, "LE": 0.263, "potency_term": 0.061, "efficiency_cap": 0.877}, "selectivity": {"fold": 2.3, "selectivity_term": 0.179, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.649, "per_endpoint": {"solubility-aqsoldb": 0.862, "caco2-wang": 0.754, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.62, "ld50-zhu": 0.468, "herg": 0.056, "dili": 0.482}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 4.787450947098398, "aff_pf": 1.198773940404256, "aff_hs": 1.5576722224553425, "repeats_pf": {"runs": 3, "values": [1.1767, 1.1089, 1.3108], "mean": 1.1988, "spread": 0.2019}, "repeats_hs": {"runs": 3, "values": [1.5575, 1.5654, 1.5501], "mean": 1.5577, "spread": 0.0153}, "at": 1787075962}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066230, "scored_at": 1787075962, "alerts": [], "rank": 5997}, {"candidate_id": "ODC-14951E", "res_at": 1786989010, "skeleton": "ZLPCAFIMWKKIEE", "hf_user": "polarbearsong", "display_name": "ODC-R2-02-triazolopyrimidine-lowlogP", "model_name": "claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 6.338, "axes": {"activity": 1.59, "binding": 2.47, "selectivity": 0.0, "admet": 1.18, "novelty": 0.58, "synthesis": 0.52}, "detail": {"activity": {"pAct_q10": 4.695, "fraction": 0.053}, "binding": {"pIC50": 5.37, "LE": 0.35, "potency_term": 0.123, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.123}, "admet": {"geometric_mean": 0.636, "per_endpoint": {"solubility-aqsoldb": 0.654, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.563, "ld50-zhu": 0.366, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.528, "novelty": 0.472}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "2", "pAct_q10": 4.695163119027619, "aff_pf": 0.6295276482899984, "aff_hs": 0.6018525163332621, "repeats_pf": {"runs": 3, "values": [0.7158, 0.5896, 0.5832], "mean": 0.6295, "spread": 0.1326}, "repeats_hs": {"runs": 3, "values": [0.6358, 0.6262, 0.5436], "mean": 0.6019, "spread": 0.0922}, "at": 1786989010}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984567, "scored_at": 1786989010, "alerts": [], "rank": 5998}, {"candidate_id": "ODC-2C0EDA", "res_at": 1787099042, "skeleton": "ZFGYMIBPRIHRAS", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········cc2s1", "total": 6.334, "axes": {"activity": 2.89, "binding": 1.37, "selectivity": 0.0, "admet": 0.9, "novelty": 0.69, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.773, "fraction": 0.096}, "binding": {"pIC50": 4.85, "LE": 0.316, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.625, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.495, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 4.773203034286686, "aff_pf": 1.150456468264262, "aff_hs": 0.8548434575398763, "repeats_pf": {"runs": 3, "values": [1.2374, 1.0162, 1.1978], "mean": 1.1505, "spread": 0.2213}, "repeats_hs": {"runs": 3, "values": [0.751, 0.8033, 1.0103], "mean": 0.8548, "spread": 0.2593}, "at": 1787099042}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097973, "scored_at": 1787099042, "alerts": [], "rank": 5999}, {"candidate_id": "ODC-768AA2", "res_at": 1786852715, "skeleton": "JYDBUNDOWXTUQK", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)c2n1", "total": 6.328, "axes": {"activity": 3.36, "binding": 0.98, "selectivity": 0.0, "admet": 0.83, "novelty": 0.65, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.802, "fraction": 0.112}, "binding": {"pIC50": 5.15, "LE": 0.307, "potency_term": 0.049, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.049}, "admet": {"geometric_mean": 0.493, "per_endpoint": {"solubility-aqsoldb": 0.34, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.163, "ld50-zhu": 0.326, "herg": 0.678, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.8018679631694035, "aff_pf": 0.8525599439938863, "aff_hs": 0.803139845530192, "repeats_pf": {"runs": 3, "values": [0.8879, 0.8928, 0.777], "mean": 0.8526, "spread": 0.1158}, "repeats_hs": {"runs": 3, "values": [0.7979, 0.6709, 0.9406], "mean": 0.8031, "spread": 0.2697}, "at": 1786852715}, "tier": 1, "relegate_reason": [], "submitted_at": 1786847529, "scored_at": 1786852715, "alerts": [], "rank": 6000}, {"candidate_id": "ODC-4A72C3", "res_at": 1787144012, "skeleton": "QFRUVQBCUDUGCG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "FS(F)(F··········3)cc1", "total": 6.323, "axes": {"activity": 0.04, "binding": 3.09, "selectivity": 0.29, "admet": 1.44, "novelty": 0.82, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.603, "fraction": 0.001}, "binding": {"pIC50": 5.46, "LE": 0.34, "potency_term": 0.154, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.154}, "admet": {"geometric_mean": 0.621, "per_endpoint": {"solubility-aqsoldb": 0.367, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.392, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.863, "herg": 0.402, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.466, "novelty": 0.534}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 4.602526325888165, "aff_pf": 0.537240207195282, "aff_hs": 0.7238419055938721, "repeats_pf": {"runs": 3, "values": [0.546, 0.7127, 0.353], "mean": 0.5372, "spread": 0.3597}, "repeats_hs": {"runs": 3, "values": [0.7249, 0.6841, 0.7626], "mean": 0.7238, "spread": 0.0785}, "at": 1787144012}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142878, "scored_at": 1787144012, "alerts": [], "rank": 6001}, {"candidate_id": "ODC-14AB6E", "res_at": 1787914110, "skeleton": "CJSVXQOGTMLVQR", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········C(F)F", "total": 6.298, "axes": {"activity": 3.24, "binding": 1.05, "selectivity": 0.26, "admet": 0.78, "novelty": 0.61, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.794, "fraction": 0.108}, "binding": {"pIC50": 5.2, "LE": 0.237, "potency_term": 0.066, "efficiency_cap": 0.791}, "selectivity": {"fold": 2.4, "selectivity_term": 0.193, "target_engagement": 0.066}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.76, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.926, "cyp2c9-veith": 0.847, "cyp3a4-substrate-carbonmangels": 0.122, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.434, "novelty": 0.566}, "synthesis": {"sa_score": 3.66}}, "run": {"gpu": "0", "pAct_q10": 4.79449609754063, "aff_pf": 0.8016237219174703, "aff_hs": 1.188218633333842, "repeats_pf": {"runs": 3, "values": [0.8207, 0.7634, 0.8208], "mean": 0.8016, "spread": 0.0574}, "repeats_hs": {"runs": 3, "values": [1.2206, 1.1749, 1.1692], "mean": 1.1882, "spread": 0.0514}, "at": 1787914110}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898745, "scored_at": 1787914110, "alerts": [], "rank": 6002}, {"candidate_id": "ODC-4307A5", "res_at": 1787871642, "skeleton": "ZKNDNLZQFQLBFA", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CNC··········CCCC1", "total": 6.256, "axes": {"activity": 2.99, "binding": 1.21, "selectivity": 0.0, "admet": 0.94, "novelty": 0.73, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.598, "fraction": 0.1}, "binding": {"pIC50": 5.18, "LE": 0.309, "potency_term": 0.061, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.628, "per_endpoint": {"solubility-aqsoldb": 0.65, "caco2-wang": 0.9, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.569, "herg": 0.658, "dili": 0.255}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 4.598274315900096, "aff_pf": 0.8183460036913554, "aff_hs": 0.6384866635004679, "repeats_pf": {"runs": 3, "values": [0.8242, 0.796, 0.8348], "mean": 0.8183, "spread": 0.0389}, "repeats_hs": {"runs": 3, "values": [0.5716, 0.746, 0.5979], "mean": 0.6385, "spread": 0.1744}, "at": 1787854282}, "tier": 1, "relegate_reason": [], "submitted_at": 1787799723, "scored_at": 1787854282, "alerts": [], "rank": 6003}, {"candidate_id": "ODC-BF0B0C", "res_at": 1786841890, "skeleton": "CAOVZBCCDYEKCE", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Clc1ccc··········2)cc1", "total": 6.231, "axes": {"activity": 2.88, "binding": 1.63, "selectivity": 0.0, "admet": 0.66, "novelty": 0.58, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.773, "fraction": 0.096}, "binding": {"pIC50": 4.92, "LE": 0.355, "potency_term": 0.081, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.162, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.8, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.466, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.396, "novelty": 0.604}, "synthesis": {"sa_score": 1.76}}, "run": {"gpu": "1", "pAct_q10": 4.773023667399817, "aff_pf": 1.0830463568369548, "aff_hs": 1.4074177742004395, "repeats_pf": {"runs": 3, "values": [1.093, 1.0756, 1.0806], "mean": 1.083, "spread": 0.0174}, "repeats_hs": {"runs": 3, "values": [1.4956, 1.5522, 1.1744], "mean": 1.4074, "spread": 0.3778}, "at": 1786841890}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806831, "scored_at": 1786841890, "alerts": [], "rank": 6004}, {"candidate_id": "ODC-43096D", "res_at": 1786970980, "skeleton": "WBXVHEBVCBICKG", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········C2)o1", "total": 6.213, "axes": {"activity": 3.05, "binding": 1.23, "selectivity": 0.0, "admet": 0.86, "novelty": 0.59, "synthesis": 0.49}, "detail": {"activity": {"pAct_q10": 4.783, "fraction": 0.102}, "binding": {"pIC50": 4.81, "LE": 0.313, "potency_term": 0.061, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.701, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.085, "ld50-zhu": 0.354, "herg": 0.707, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "2", "pAct_q10": 4.78293814516257, "aff_pf": 1.1946128209431965, "aff_hs": 0.9064212441444397, "repeats_pf": {"runs": 3, "values": [1.212, 1.1658, 1.206], "mean": 1.1946, "spread": 0.0462}, "repeats_hs": {"runs": 3, "values": [0.9008, 0.8361, 0.9824], "mean": 0.9064, "spread": 0.1463}, "at": 1786970980}, "tier": 1, "relegate_reason": [], "submitted_at": 1786970021, "scored_at": 1786970980, "alerts": [], "rank": 6005}, {"candidate_id": "ODC-A6BDAE", "res_at": 1787196009, "skeleton": "GGQFGQJSLSMRSR", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········Cl)s1", "total": 6.168, "axes": {"activity": 1.89, "binding": 2.26, "selectivity": 0.0, "admet": 0.77, "novelty": 0.68, "synthesis": 0.56}, "detail": {"activity": {"pAct_q10": 4.415, "fraction": 0.063}, "binding": {"pIC50": 5.34, "LE": 0.366, "potency_term": 0.113, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.113}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.312, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.961, "ld50-zhu": 0.212, "herg": 0.827, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 1.92}}, "run": {"gpu": "3", "pAct_q10": 4.414693171978798, "aff_pf": 0.6614159941673279, "aff_hs": 0.12326539059480031, "repeats_pf": {"runs": 3, "values": [0.6167, 0.7025, 0.6651], "mean": 0.6614, "spread": 0.0858}, "repeats_hs": {"runs": 3, "values": [0.0972, -0.0067, 0.2793], "mean": 0.1233, "spread": 0.2859}, "at": 1787196009}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192230, "scored_at": 1787196009, "alerts": [], "rank": 6006}, {"candidate_id": "ODC-C76C42", "res_at": 1787212292, "skeleton": "UDMZMTXIZPDXMT", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "GPT 5.6 sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc2··········)c2c1", "total": 6.157, "axes": {"activity": 1.64, "binding": 2.19, "selectivity": 0.24, "admet": 0.93, "novelty": 0.61, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.699, "fraction": 0.055}, "binding": {"pIC50": 5.33, "LE": 0.332, "potency_term": 0.109, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.108, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.565, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.959, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.917, "cyp3a4-substrate-carbonmangels": 0.832, "ld50-zhu": 0.575, "herg": 0.345, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 4.698567215555854, "aff_pf": 0.6715486447016398, "aff_hs": 0.8875143130620321, "repeats_pf": {"runs": 3, "values": [0.626, 0.6761, 0.7125], "mean": 0.6715, "spread": 0.0865}, "repeats_hs": {"runs": 3, "values": [1.0282, 0.8111, 0.8233], "mean": 0.8875, "spread": 0.2172}, "at": 1787212292}, "tier": 1, "relegate_reason": [], "submitted_at": 1787211979, "scored_at": 1787212292, "alerts": [], "rank": 6007}, {"candidate_id": "ODC-F60A17", "res_at": 1787471111, "skeleton": "XBRGXOASRGYEGJ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C2)n1", "total": 6.104, "axes": {"activity": 0.63, "binding": 2.63, "selectivity": 0.0, "admet": 1.29, "novelty": 0.9, "synthesis": 0.66}, "detail": {"activity": {"pAct_q10": 3.975, "fraction": 0.021}, "binding": {"pIC50": 5.39, "LE": 0.369, "potency_term": 0.131, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.131}, "admet": {"geometric_mean": 0.653, "per_endpoint": {"solubility-aqsoldb": 0.733, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.153, "ld50-zhu": 0.568, "herg": 0.374, "dili": 0.229}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 3.974799661125137, "aff_pf": 0.605867842833201, "aff_hs": 0.5780206918716431, "repeats_pf": {"runs": 3, "values": [0.7056, 0.5173, 0.5948], "mean": 0.6059, "spread": 0.1883}, "repeats_hs": {"runs": 3, "values": [0.5528, 0.5294, 0.6519], "mean": 0.578, "spread": 0.1225}, "at": 1787471111}, "tier": 1, "relegate_reason": [], "submitted_at": 1787470909, "scored_at": 1787471111, "alerts": [], "rank": 6008}, {"candidate_id": "ODC-82D3A1", "res_at": 1788859951, "skeleton": "HZKFXYQPSDMBIR", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-21", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cc2n1", "total": 6.099, "axes": {"activity": 3.56, "binding": 0.55, "selectivity": 0.0, "admet": 0.77, "novelty": 0.63, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.814, "fraction": 0.119}, "binding": {"pIC50": 4.52, "LE": 0.269, "potency_term": 0.03, "efficiency_cap": 0.898}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.433, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.804, "cyp2c9-veith": 0.152, "cyp3a4-substrate-carbonmangels": 0.203, "ld50-zhu": 0.445, "herg": 0.62, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "0", "pAct_q10": 4.813685453019651, "aff_pf": 1.4756414492925007, "aff_hs": 1.0934547185897827, "repeats_pf": {"runs": 3, "values": [1.4292, 1.4761, 1.5217], "mean": 1.4756, "spread": 0.0925}, "repeats_hs": {"runs": 3, "values": [1.0854, 1.1175, 1.0775], "mean": 1.0935, "spread": 0.04}, "at": 1788859951}, "tier": 1, "alerts": [], "total_sd": 0.034, "total_ci95": [6.035, 6.173], "relegate_reason": [], "submitted_at": 1788856529, "scored_at": 1788859951, "rank": 6009}, {"candidate_id": "ODC-89A5AD", "res_at": 1788869005, "skeleton": "YJOPICAUQOFLAX", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Muse Spark 1.3", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········3)c12", "total": 6.078, "axes": {"activity": 2.92, "binding": 1.55, "selectivity": 0.0, "admet": 0.49, "novelty": 0.66, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.775, "fraction": 0.097}, "binding": {"pIC50": 4.95, "LE": 0.261, "potency_term": 0.089, "efficiency_cap": 0.87}, "selectivity": {"fold": 1.8, "selectivity_term": 0.131, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.441, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.325, "novelty": 0.675}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "0", "pAct_q10": 4.774921355066296, "aff_pf": 1.0451417764027913, "aff_hs": 1.3079020579655964, "repeats_pf": {"runs": 3, "values": [1.0655, 1.0599, 1.0101], "mean": 1.0451, "spread": 0.0554}, "repeats_hs": {"runs": 3, "values": [1.2323, 1.3837, 1.3077], "mean": 1.3079, "spread": 0.1514}, "at": 1788869005}, "tier": 1, "alerts": [], "total_sd": 0.065, "total_ci95": [6.002, 6.232], "relegate_reason": [], "submitted_at": 1788857328, "scored_at": 1788869005, "rank": 6010}, {"candidate_id": "ODC-3D65BB", "res_at": 1786813324, "skeleton": "DIGQWHMBZGRTRQ", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········)cc1F", "total": 6.064, "axes": {"activity": 2.33, "binding": 1.83, "selectivity": 0.0, "admet": 0.81, "novelty": 0.64, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.498, "fraction": 0.078}, "binding": {"pIC50": 4.96, "LE": 0.358, "potency_term": 0.092, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.366, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.548, "ld50-zhu": 0.517, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 4.49805659128561, "aff_pf": 1.0352209011713664, "aff_hs": 0.040929712976018585, "repeats_pf": {"runs": 3, "values": [0.9118, 1.065, 1.1289], "mean": 1.0352, "spread": 0.2171}, "repeats_hs": {"runs": 3, "values": [0.0104, -0.0299, 0.1424], "mean": 0.0409, "spread": 0.1723}, "at": 1786813324}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789490, "scored_at": 1786813324, "alerts": [], "rank": 6011}, {"candidate_id": "ODC-70EC1C", "res_at": 1788500619, "skeleton": "ZSFCRODCAUHAEX", "hf_user": "dlghkdueo", "display_name": "R6-C2", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 6.051, "axes": {"activity": 2.81, "binding": 1.46, "selectivity": 0.0, "admet": 0.76, "novelty": 0.55, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.769, "fraction": 0.094}, "binding": {"pIC50": 4.87, "LE": 0.334, "potency_term": 0.073, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.04, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.888, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.574, "ld50-zhu": 0.329, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "0", "pAct_q10": 4.768652148184612, "aff_pf": 1.1253883838653564, "aff_hs": 1.205379883448283, "repeats_pf": {"runs": 3, "values": [1.0907, 1.1458, 1.1396], "mean": 1.1254, "spread": 0.0551}, "repeats_hs": {"runs": 3, "values": [1.0421, 1.286, 1.288], "mean": 1.2054, "spread": 0.246}, "at": 1788500619}, "tier": 1, "alerts": [], "total_sd": 0.053, "total_ci95": [5.978, 6.183], "relegate_reason": [], "submitted_at": 1788447833, "scored_at": 1788500619, "rank": 6012}, {"candidate_id": "ODC-E27444", "res_at": 1787074732, "skeleton": "ANWHYIHQTOPFDT", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)cc1", "total": 6.044, "axes": {"activity": 2.9, "binding": 1.11, "selectivity": 0.0, "admet": 0.93, "novelty": 0.62, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.774, "fraction": 0.097}, "binding": {"pIC50": 4.78, "LE": 0.285, "potency_term": 0.058, "efficiency_cap": 0.95}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.638, "per_endpoint": {"solubility-aqsoldb": 0.779, "caco2-wang": 0.687, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.664, "cyp3a4-substrate-carbonmangels": 0.882, "ld50-zhu": 0.376, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.36}}, "run": {"gpu": "3", "pAct_q10": 4.774253368584392, "aff_pf": 1.2151678800582886, "aff_hs": 1.16097096602122, "repeats_pf": {"runs": 3, "values": [1.1873, 1.2472, 1.211], "mean": 1.2152, "spread": 0.0598}, "repeats_hs": {"runs": 3, "values": [1.1806, 1.0855, 1.2168], "mean": 1.161, "spread": 0.1313}, "at": 1787074732}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066166, "scored_at": 1787074732, "alerts": [], "rank": 6013}, {"candidate_id": "ODC-82CD98", "res_at": 1787330586, "skeleton": "FAHCDEIVRAJVJP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········)cc12", "total": 6.039, "axes": {"activity": 2.62, "binding": 1.59, "selectivity": 0.0, "admet": 0.89, "novelty": 0.5, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.757, "fraction": 0.087}, "binding": {"pIC50": 4.91, "LE": 0.354, "potency_term": 0.079, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.681, "per_endpoint": {"solubility-aqsoldb": 0.62, "caco2-wang": 0.931, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.52, "ld50-zhu": 0.599, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "3", "pAct_q10": 4.75707475253936, "aff_pf": 1.0918898185094197, "aff_hs": 0.6014431317647299, "repeats_pf": {"runs": 3, "values": [1.034, 1.0994, 1.1423], "mean": 1.0919, "spread": 0.1084}, "repeats_hs": {"runs": 3, "values": [0.515, 0.6152, 0.6742], "mean": 0.6014, "spread": 0.1591}, "at": 1787330586}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328946, "scored_at": 1787330586, "alerts": [], "rank": 6014}, {"candidate_id": "ODC-254113", "res_at": 1786857180, "skeleton": "KUOUGEVNVMGGMJ", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 6.013, "axes": {"activity": 0.21, "binding": 3.17, "selectivity": 0.0, "admet": 0.92, "novelty": 1.03, "synthesis": 0.69}, "detail": {"activity": {"pAct_q10": 4.612, "fraction": 0.007}, "binding": {"pIC50": 5.51, "LE": 0.28, "potency_term": 0.17, "efficiency_cap": 0.932}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.17}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.544, "herg": 0.068, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 4.6123839411034, "aff_pf": 0.48958633343378705, "aff_hs": -0.2761322458585103, "repeats_pf": {"runs": 3, "values": [0.4135, 0.528, 0.5273], "mean": 0.4896, "spread": 0.1144}, "repeats_hs": {"runs": 3, "values": [-0.1372, -0.1818, -0.5094], "mean": -0.2761, "spread": 0.3722}, "at": 1786857180}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849011, "scored_at": 1786857180, "alerts": [], "rank": 6015}, {"candidate_id": "ODC-787D1C", "res_at": 1787074936, "skeleton": "ZIWQMQNBRPLKEK", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1c(C(··········2)cc1", "total": 6.01, "axes": {"activity": 3.24, "binding": 0.5, "selectivity": 0.0, "admet": 0.99, "novelty": 0.74, "synthesis": 0.54}, "detail": {"activity": {"pAct_q10": 4.794, "fraction": 0.108}, "binding": {"pIC50": 4.52, "LE": 0.248, "potency_term": 0.03, "efficiency_cap": 0.826}, "selectivity": {"fold": 1.2, "selectivity_term": 0.035, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.881, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.837, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.412, "herg": 0.05, "dili": 0.574}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 4.794198051595371, "aff_pf": 1.4778951406478882, "aff_hs": 1.5486584504445393, "repeats_pf": {"runs": 3, "values": [1.4419, 1.4913, 1.5005], "mean": 1.4779, "spread": 0.0587}, "repeats_hs": {"runs": 3, "values": [1.6264, 1.4947, 1.5249], "mean": 1.5487, "spread": 0.1317}, "at": 1787074936}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066178, "scored_at": 1787074936, "alerts": [], "rank": 6016}, {"candidate_id": "ODC-AD1B30", "res_at": 1787282466, "skeleton": "JVNCRIYIHZJUSN", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········F)cn1", "total": 5.994, "axes": {"activity": 3.25, "binding": 0.43, "selectivity": 0.0, "admet": 1.34, "novelty": 0.77, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.795, "fraction": 0.108}, "binding": {"pIC50": 4.4, "LE": 0.287, "potency_term": 0.022, "efficiency_cap": 0.957}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.825, "per_endpoint": {"solubility-aqsoldb": 0.787, "caco2-wang": 0.968, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.495, "ld50-zhu": 0.588, "herg": 0.556, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 4.61}}, "run": {"gpu": "3", "pAct_q10": 4.7948510542613, "aff_pf": 1.5999341011047363, "aff_hs": 1.2996934254964192, "repeats_pf": {"runs": 3, "values": [1.7322, 1.6608, 1.4067], "mean": 1.5999, "spread": 0.3255}, "repeats_hs": {"runs": 3, "values": [1.3527, 1.2627, 1.2837], "mean": 1.2997, "spread": 0.0899}, "at": 1787282466}, "tier": 1, "relegate_reason": [], "submitted_at": 1787279512, "scored_at": 1787282466, "alerts": [], "rank": 6017}, {"candidate_id": "ODC-AB25C3", "res_at": 1789941013, "skeleton": "SNJSAGSJAODEMT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········s2)C1", "total": 5.989, "axes": {"activity": 3.35, "binding": 0.45, "selectivity": 0.1, "admet": 0.83, "novelty": 0.76, "synthesis": 0.49}, "detail": {"activity": {"pAct_q10": 4.801, "fraction": 0.112}, "binding": {"pIC50": 5.08, "LE": 0.258, "potency_term": 0.026, "efficiency_cap": 0.859}, "selectivity": {"fold": 2.3, "selectivity_term": 0.184, "target_engagement": 0.026}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.645, "caco2-wang": 0.728, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.5, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.121}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "0", "pAct_q10": 4.801175695326006, "aff_pf": 0.920581599076589, "aff_hs": 1.2887560923894246, "repeats_pf": {"runs": 3, "values": [0.8751, 0.9663, 0.9204], "mean": 0.9206, "spread": 0.0913}, "repeats_hs": {"runs": 3, "values": [1.2867, 1.2886, 1.291], "mean": 1.2888, "spread": 0.0043}, "at": 1789941013}, "tier": 1, "alerts": [], "total_sd": 0.152, "total_ci95": [5.664, 6.331], "relegate_reason": [], "submitted_at": 1789778835, "scored_at": 1789941013, "rank": 6018}, {"candidate_id": "ODC-E61B9E", "res_at": 1786977924, "skeleton": "YOYOVVWIJCWFCH", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 (ODC harness: RDKit gate + smina dual-target docking)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········)(F)F", "total": 5.981, "axes": {"activity": 1.92, "binding": 1.99, "selectivity": 0.0, "admet": 0.92, "novelty": 0.66, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.422, "fraction": 0.064}, "binding": {"pIC50": 5.3, "LE": 0.346, "potency_term": 0.099, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.616, "per_endpoint": {"solubility-aqsoldb": 0.369, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.923, "cyp3a4-substrate-carbonmangels": 0.538, "ld50-zhu": 0.556, "herg": 0.805, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 4.4220947568328715, "aff_pf": 0.7020204265912374, "aff_hs": 0.4153273403644562, "repeats_pf": {"runs": 3, "values": [0.7826, 0.7806, 0.5429], "mean": 0.702, "spread": 0.2397}, "repeats_hs": {"runs": 3, "values": [0.4168, 0.4492, 0.3799], "mean": 0.4153, "spread": 0.0692}, "at": 1786977924}, "tier": 1, "relegate_reason": [], "submitted_at": 1786975819, "scored_at": 1786977924, "alerts": [], "rank": 6019}, {"candidate_id": "ODC-DA0285", "res_at": 1787198167, "skeleton": "CPLUPQXIQIHCIY", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "O=C(Nc1ccccc1-c1ncnc(-c2ccccc2NS(=O)(=O)c2ccccc2)n1)c1ccccc1", "smiles_masked": null, "total": 5.952, "axes": {"activity": 3.71, "binding": 0.35, "selectivity": 0.0, "admet": 0.49, "novelty": 0.77, "synthesis": 0.62}, "detail": {"activity": {"pAct_q10": 4.823, "fraction": 0.124}, "binding": {"pIC50": 4.54, "LE": 0.168, "potency_term": 0.031, "efficiency_cap": 0.56}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.109, "caco2-wang": 0.584, "hia-hou": 0.917, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.259, "herg": 0.082, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "3", "pAct_q10": 4.822845782290814, "aff_pf": 1.4629234472910564, "aff_hs": 1.3140439987182617, "repeats_pf": {"runs": 3, "values": [1.092, 1.8704, 1.4264], "mean": 1.4629, "spread": 0.7785}, "repeats_hs": {"runs": 3, "values": [1.4036, 1.0378, 1.5008], "mean": 1.314, "spread": 0.463}, "at": 1787198167}, "tier": 1, "relegate_reason": [], "submitted_at": 1787194446, "scored_at": 1787198167, "alerts": [], "rank": 6020}, {"candidate_id": "ODC-335173", "res_at": 1789509189, "skeleton": "JHCGPXXXZUUMKQ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 5.946, "axes": {"activity": 3.41, "binding": 0.33, "selectivity": 0.0, "admet": 0.96, "novelty": 0.68, "synthesis": 0.57}, "detail": {"activity": {"pAct_q10": 4.805, "fraction": 0.114}, "binding": {"pIC50": 4.28, "LE": 0.309, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.528, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.804, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.411, "herg": 0.093, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 1.98}}, "run": {"gpu": "0", "pAct_q10": 4.804597992578847, "aff_pf": 1.7188618183135986, "aff_hs": 1.4450438817342122, "repeats_pf": {"runs": 3, "values": [1.8266, 1.5164, 1.8136], "mean": 1.7189, "spread": 0.3103}, "repeats_hs": {"runs": 3, "values": [1.4959, 1.6309, 1.2083], "mean": 1.445, "spread": 0.4226}, "at": 1789509189}, "tier": 1, "alerts": [], "total_sd": 0.075, "total_ci95": [5.868, 6.165], "relegate_reason": [], "submitted_at": 1789495225, "scored_at": 1789509189, "rank": 6021}, {"candidate_id": "ODC-2E7BC7", "res_at": 1788080573, "skeleton": "ZLLWMANUEWZJJM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)F)n1", "total": 5.922, "axes": {"activity": 1.05, "binding": 2.14, "selectivity": 0.94, "admet": 0.65, "novelty": 0.6, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.663, "fraction": 0.035}, "binding": {"pIC50": 5.32, "LE": 0.304, "potency_term": 0.107, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.442, "target_engagement": 0.107}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.151, "caco2-wang": 0.968, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.619, "cyp2c9-veith": 0.731, "cyp3a4-substrate-carbonmangels": 0.16, "ld50-zhu": 0.235, "herg": 0.308, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 4.663221156860002, "aff_pf": 0.679118792215983, "aff_hs": 1.562334378560384, "repeats_pf": {"runs": 3, "values": [0.8365, 0.4483, 0.7526], "mean": 0.6791, "spread": 0.3882}, "repeats_hs": {"runs": 3, "values": [1.5645, 1.5153, 1.6073], "mean": 1.5623, "spread": 0.092}, "at": 1788080573}, "tier": 1, "alerts": [], "total_sd": 1.558, "total_ci95": [3.413, 9.848], "relegate_reason": [], "submitted_at": 1788058606, "scored_at": 1788080573, "rank": 6022}, {"candidate_id": "ODC-6073BD", "res_at": 1789894879, "skeleton": "YHSCJKMQLAXVDB", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CNc1ncc··········)(F)F", "total": 5.918, "axes": {"activity": 2.98, "binding": 0.76, "selectivity": 0.0, "admet": 1.02, "novelty": 0.67, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.597, "fraction": 0.099}, "binding": {"pIC50": 4.61, "LE": 0.316, "potency_term": 0.038, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.682, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.804, "ld50-zhu": 0.551, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "2", "pAct_q10": 4.597431920325331, "aff_pf": 1.3894511858622234, "aff_hs": 1.1307443777720134, "repeats_pf": {"runs": 3, "values": [1.598, 1.3626, 1.2077], "mean": 1.3895, "spread": 0.3903}, "repeats_hs": {"runs": 3, "values": [1.2768, 1.1525, 0.9628], "mean": 1.1307, "spread": 0.314}, "at": 1789894879}, "tier": 1, "alerts": [], "total_sd": 0.175, "total_ci95": [5.611, 6.353], "relegate_reason": [], "submitted_at": 1789689717, "scored_at": 1789894879, "rank": 6023}, {"candidate_id": "ODC-9F795A", "res_at": 1786856433, "skeleton": "ZXYQRWFXOUHLQY", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)c2n1", "total": 5.889, "axes": {"activity": 1.29, "binding": 2.32, "selectivity": 0.02, "admet": 1.0, "novelty": 0.67, "synthesis": 0.58}, "detail": {"activity": {"pAct_q10": 4.263, "fraction": 0.043}, "binding": {"pIC50": 5.35, "LE": 0.366, "potency_term": 0.116, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.116}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.569, "caco2-wang": 0.96, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.583, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.439, "herg": 0.802, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.262770512888707, "aff_pf": 0.6515702406565348, "aff_hs": 0.6707092523574829, "repeats_pf": {"runs": 3, "values": [0.5816, 0.6557, 0.7174], "mean": 0.6516, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [0.713, 0.6567, 0.6424], "mean": 0.6707, "spread": 0.0706}, "at": 1786856433}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848329, "scored_at": 1786856433, "alerts": [], "rank": 6024}, {"candidate_id": "ODC-381E94", "res_at": 1786779354, "skeleton": "QGXVFSWNXDSLPX", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "Deepseek v4 pro + flash", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········=O)N2", "total": 5.85, "axes": {"activity": 1.03, "binding": 2.4, "selectivity": 0.26, "admet": 0.73, "novelty": 0.84, "synthesis": 0.59}, "detail": {"activity": {"pAct_q10": 4.174, "fraction": 0.034}, "binding": {"pIC50": 5.36, "LE": 0.35, "potency_term": 0.12, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.106, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.188, "herg": 0.776, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 4.1740552966136635, "aff_pf": 0.6404396295547485, "aff_hs": 0.8533596396446228, "at": 1786779354}, "tier": 1, "relegate_reason": [], "submitted_at": 1786779199, "scored_at": 1786779354, "alerts": [], "rank": 6025}, {"candidate_id": "ODC-765E4A", "res_at": 1786874807, "skeleton": "OBWBFZGCZPPSJD", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COCc1cn··········)c2n1", "total": 5.849, "axes": {"activity": 2.64, "binding": 1.54, "selectivity": 0.0, "admet": 0.67, "novelty": 0.6, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.759, "fraction": 0.088}, "binding": {"pIC50": 4.91, "LE": 0.292, "potency_term": 0.079, "efficiency_cap": 0.974}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.409, "caco2-wang": 0.983, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.829, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.427, "herg": 0.665, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "3", "pAct_q10": 4.758608782923647, "aff_pf": 1.0941697756449382, "aff_hs": 1.0897571245829265, "repeats_pf": {"runs": 3, "values": [1.0726, 1.1343, 1.0756], "mean": 1.0942, "spread": 0.0617}, "repeats_hs": {"runs": 3, "values": [1.0636, 1.0539, 1.1519], "mean": 1.0898, "spread": 0.098}, "at": 1786874807}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866968, "scored_at": 1786874807, "alerts": [], "rank": 6026}, {"candidate_id": "ODC-1604D7", "res_at": 1787952396, "skeleton": "LUVQSEHMQLVFCA", "hf_user": "Bio-JS", "display_name": "C3 [짝] 푸로피리미딘 x 옥세탄, F 없음", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)c2o1", "total": 5.831, "axes": {"activity": 2.09, "binding": 1.91, "selectivity": 0.0, "admet": 0.71, "novelty": 0.68, "synthesis": 0.43}, "detail": {"activity": {"pAct_q10": 4.725, "fraction": 0.07}, "binding": {"pIC50": 4.98, "LE": 0.31, "potency_term": 0.096, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.858, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.64, "herg": 0.05, "dili": 0.354}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "0", "pAct_q10": 4.725379898946131, "aff_pf": 1.0176211794217427, "aff_hs": 0.41029974818229675, "repeats_pf": {"runs": 3, "values": [1.0877, 1.0215, 0.9436], "mean": 1.0176, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [0.3892, 0.3703, 0.4714], "mean": 0.4103, "spread": 0.101}, "at": 1787952396}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945116, "scored_at": 1787952396, "alerts": [], "rank": 6027}, {"candidate_id": "ODC-643087", "res_at": 1787705730, "skeleton": "BYUBHILBLPVBTA", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc2··········3)n12", "total": 5.791, "axes": {"activity": 3.02, "binding": 0.98, "selectivity": 0.0, "admet": 0.75, "novelty": 0.67, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.781, "fraction": 0.101}, "binding": {"pIC50": 4.78, "LE": 0.252, "potency_term": 0.058, "efficiency_cap": 0.84}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.75, "cyp3a4-substrate-carbonmangels": 0.132, "ld50-zhu": 0.517, "herg": 0.257, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 4.781283155156647, "aff_pf": 1.2166674931844075, "aff_hs": 0.7468816041946411, "repeats_pf": {"runs": 3, "values": [1.3481, 1.1219, 1.18], "mean": 1.2167, "spread": 0.2262}, "repeats_hs": {"runs": 3, "values": [0.864, 0.8369, 0.5398], "mean": 0.7469, "spread": 0.3242}, "at": 1787705730}, "tier": 1, "relegate_reason": [], "submitted_at": 1787702931, "scored_at": 1787705730, "alerts": [], "rank": 6028}, {"candidate_id": "ODC-387610", "res_at": 1787270938, "skeleton": "YJLPTRTXVPXAEL", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCCCCc1ccc(S(=O)(=O)N2CCC(CO)CC2)c(O)c1", "smiles_masked": null, "total": 5.774, "axes": {"activity": 2.82, "binding": 0.99, "selectivity": 0.0, "admet": 0.89, "novelty": 0.61, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.769, "fraction": 0.094}, "binding": {"pIC50": 5.15, "LE": 0.307, "potency_term": 0.049, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.049}, "admet": {"geometric_mean": 0.629, "per_endpoint": {"solubility-aqsoldb": 0.748, "caco2-wang": 0.924, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.81, "cyp3a4-substrate-carbonmangels": 0.476, "ld50-zhu": 0.312, "herg": 0.054, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "3", "pAct_q10": 4.769098024662785, "aff_pf": 0.8519477844238281, "aff_hs": 0.5378859142462412, "repeats_pf": {"runs": 3, "values": [0.8318, 0.9897, 0.7343], "mean": 0.8519, "spread": 0.2555}, "repeats_hs": {"runs": 3, "values": [0.2743, 0.7462, 0.5931], "mean": 0.5379, "spread": 0.4719}, "at": 1787270938}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269832, "scored_at": 1787270938, "alerts": [], "rank": 6029}, {"candidate_id": "ODC-5A1CBA", "res_at": 1786840041, "skeleton": "XAMAMUZCMVRFOD", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cc2··········C1CC1", "total": 5.749, "axes": {"activity": 2.72, "binding": 1.21, "selectivity": 0.0, "admet": 0.77, "novelty": 0.6, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.56, "fraction": 0.091}, "binding": {"pIC50": 4.8, "LE": 0.313, "potency_term": 0.061, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.155, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.471, "caco2-wang": 0.939, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.523, "cyp3a4-substrate-carbonmangels": 0.237, "ld50-zhu": 0.47, "herg": 0.756, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "2", "pAct_q10": 4.56020858037568, "aff_pf": 1.2008614142735798, "aff_hs": 1.5102673371632893, "repeats_pf": {"runs": 3, "values": [1.1527, 1.2317, 1.2182], "mean": 1.2009, "spread": 0.079}, "repeats_hs": {"runs": 3, "values": [1.5694, 1.436, 1.5255], "mean": 1.5103, "spread": 0.1334}, "at": 1786840041}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805245, "scored_at": 1786840041, "alerts": [], "rank": 6030}, {"candidate_id": "ODC-85116C", "res_at": 1789927335, "skeleton": "WMUQKQRQFGOIGP", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2c1", "total": 5.747, "axes": {"activity": 2.83, "binding": 1.4, "selectivity": 0.0, "admet": 0.75, "novelty": 0.39, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.576, "fraction": 0.094}, "binding": {"pIC50": 4.9, "LE": 0.269, "potency_term": 0.078, "efficiency_cap": 0.895}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.533, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.587, "cyp3a4-substrate-carbonmangels": 0.526, "ld50-zhu": 0.393, "herg": 0.334, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.586, "novelty": 0.414}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 4.576119080601692, "aff_pf": 1.099434773127238, "aff_hs": 0.43050840497016907, "repeats_pf": {"runs": 3, "values": [1.024, 1.1662, 1.1081], "mean": 1.0994, "spread": 0.1422}, "repeats_hs": {"runs": 3, "values": [0.3825, 0.4209, 0.4881], "mean": 0.4305, "spread": 0.1056}, "at": 1789927335}, "tier": 1, "alerts": [], "total_sd": 0.121, "total_ci95": [5.579, 6.063], "relegate_reason": [], "submitted_at": 1789770096, "scored_at": 1789927335, "rank": 6031}, {"candidate_id": "ODC-1CFFCB", "res_at": 1787212751, "skeleton": "KGXWAIARZCQGQG", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "GPT 5.6 sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1ccc2··········cnc21", "total": 5.711, "axes": {"activity": 2.77, "binding": 1.08, "selectivity": 0.0, "admet": 0.84, "novelty": 0.55, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.569, "fraction": 0.092}, "binding": {"pIC50": 4.75, "LE": 0.31, "potency_term": 0.054, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.093, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.606, "per_endpoint": {"solubility-aqsoldb": 0.455, "caco2-wang": 0.979, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.907, "ld50-zhu": 0.415, "herg": 0.351, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "3", "pAct_q10": 4.568615161594142, "aff_pf": 1.2466737031936646, "aff_hs": 1.4326748450597127, "repeats_pf": {"runs": 3, "values": [1.3502, 1.1972, 1.1926], "mean": 1.2467, "spread": 0.1576}, "repeats_hs": {"runs": 3, "values": [1.4291, 1.382, 1.4869], "mean": 1.4327, "spread": 0.1049}, "at": 1787212751}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212165, "scored_at": 1787212751, "alerts": [], "rank": 6032}, {"candidate_id": "ODC-A2FECC", "res_at": 1787143637, "skeleton": "RCYMNDNDGJQKBL", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FS(F)(F··········3)cc1", "total": 5.707, "axes": {"activity": 1.65, "binding": 2.05, "selectivity": 0.0, "admet": 0.91, "novelty": 0.65, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.699, "fraction": 0.055}, "binding": {"pIC50": 5.31, "LE": 0.316, "potency_term": 0.103, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.103}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.436, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.492, "cyp2c9-veith": 0.389, "cyp3a4-substrate-carbonmangels": 0.62, "ld50-zhu": 0.709, "herg": 0.634, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.699041706457923, "aff_pf": 0.6920672456423441, "aff_hs": 0.5856789350509644, "repeats_pf": {"runs": 3, "values": [0.8943, 0.5792, 0.6027], "mean": 0.6921, "spread": 0.3151}, "repeats_hs": {"runs": 3, "values": [0.643, 0.5861, 0.5279], "mean": 0.5857, "spread": 0.1151}, "at": 1787143637}, "tier": 1, "relegate_reason": [], "submitted_at": 1787142829, "scored_at": 1787143637, "alerts": [], "rank": 6033}, {"candidate_id": "ODC-FB1884", "res_at": 1789501056, "skeleton": "RWGFQEFXXSZAPZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 5.635, "axes": {"activity": 3.19, "binding": 0.23, "selectivity": 0.0, "admet": 1.04, "novelty": 0.64, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.792, "fraction": 0.106}, "binding": {"pIC50": 4.13, "LE": 0.298, "potency_term": 0.011, "efficiency_cap": 0.993}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.653, "per_endpoint": {"solubility-aqsoldb": 0.595, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.826, "cyp3a4-substrate-carbonmangels": 0.193, "ld50-zhu": 0.394, "herg": 0.192, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 1.98}}, "run": {"gpu": "0", "pAct_q10": 4.79166981918863, "aff_pf": 1.8689643541971843, "aff_hs": 1.6942392190297444, "repeats_pf": {"runs": 3, "values": [1.9332, 1.829, 1.8447], "mean": 1.869, "spread": 0.1041}, "repeats_hs": {"runs": 3, "values": [1.7327, 1.6558, 1.6942], "mean": 1.6942, "spread": 0.0769}, "at": 1789501056}, "tier": 1, "alerts": [], "total_sd": 0.015, "total_ci95": [5.615, 5.658], "relegate_reason": [], "submitted_at": 1789491519, "scored_at": 1789501056, "rank": 6034}, {"candidate_id": "ODC-28070B", "res_at": 1787270196, "skeleton": "ITTRTJRNIWHBHQ", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "CCCCCc1ccc(S(=O)(=O)N2CCC3(CCC3)C2)c(O)c1", "smiles_masked": null, "total": 5.629, "axes": {"activity": 0.18, "binding": 2.74, "selectivity": 0.0, "admet": 1.19, "novelty": 0.91, "synthesis": 0.6}, "detail": {"activity": {"pAct_q10": 4.611, "fraction": 0.006}, "binding": {"pIC50": 5.41, "LE": 0.322, "potency_term": 0.137, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.137}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.22, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.761, "herg": 0.162, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.92}}, "run": {"gpu": "3", "pAct_q10": 4.610857579376173, "aff_pf": 0.5890068809191386, "aff_hs": 0.4432534376780192, "repeats_pf": {"runs": 3, "values": [0.5302, 0.6909, 0.5459], "mean": 0.589, "spread": 0.1607}, "repeats_hs": {"runs": 3, "values": [0.4143, 0.63, 0.2855], "mean": 0.4433, "spread": 0.3445}, "at": 1787270196}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269811, "scored_at": 1787270196, "alerts": [], "rank": 6035}, {"candidate_id": "ODC-8ABB50", "res_at": 1786960231, "skeleton": "YCRSSCWAHDPWRZ", "hf_user": "PhD-Shin", "display_name": "PhD-Shin B3", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········C(C)C", "total": 5.629, "axes": {"activity": 1.94, "binding": 1.64, "selectivity": 0.6, "admet": 0.66, "novelty": 0.5, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.426, "fraction": 0.065}, "binding": {"pIC50": 5.34, "LE": 0.215, "potency_term": 0.114, "efficiency_cap": 0.718}, "selectivity": {"fold": 3.3, "selectivity_term": 0.261, "target_engagement": 0.114}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.885, "caco2-wang": 0.477, "hia-hou": 0.753, "bioavailability-ma": 0.374, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.12, "ld50-zhu": 0.354, "herg": 0.456, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 4.42564211189832, "aff_pf": 0.6576508382956187, "aff_hs": 1.179656982421875, "repeats_pf": {"runs": 3, "values": [0.2996, 0.7684, 0.905], "mean": 0.6577, "spread": 0.6054}, "repeats_hs": {"runs": 3, "values": [1.2093, 1.1288, 1.2009], "mean": 1.1797, "spread": 0.0805}, "at": 1786960231}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958977, "scored_at": 1786960231, "alerts": [], "rank": 6036}, {"candidate_id": "ODC-057764", "res_at": 1787218606, "skeleton": "UHXQXRRHIWXRGQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC1(F)C··········c2)C1", "total": 5.62, "axes": {"activity": 2.86, "binding": 0.95, "selectivity": 0.0, "admet": 0.72, "novelty": 0.61, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.581, "fraction": 0.095}, "binding": {"pIC50": 4.73, "LE": 0.282, "potency_term": 0.05, "efficiency_cap": 0.938}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.919, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.476, "herg": 0.55, "dili": 0.169}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 4.580763017460955, "aff_pf": 1.2735048929850261, "aff_hs": 1.5904813607533772, "repeats_pf": {"runs": 3, "values": [1.2904, 1.2538, 1.2763], "mean": 1.2735, "spread": 0.0366}, "repeats_hs": {"runs": 3, "values": [1.5585, 1.615, 1.5979], "mean": 1.5905, "spread": 0.0566}, "at": 1787218606}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217111, "scored_at": 1787218606, "alerts": [], "rank": 6037}, {"candidate_id": "ODC-A80F6F", "res_at": 1787030215, "skeleton": "HRJVLYSLVMSZKO", "hf_user": "epicsaga", "display_name": "PFD-05", "model_name": "GLM-5.3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)O··········cc2O1", "total": 5.615, "axes": {"activity": 2.32, "binding": 1.68, "selectivity": 0.0, "admet": 0.67, "novelty": 0.52, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.497, "fraction": 0.077}, "binding": {"pIC50": 4.93, "LE": 0.307, "potency_term": 0.084, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.813, "ld50-zhu": 0.467, "herg": 0.954, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.496967508962169, "aff_pf": 1.0688275297482808, "aff_hs": 1.07558540503184, "repeats_pf": {"runs": 3, "values": [0.9909, 1.0718, 1.1438], "mean": 1.0688, "spread": 0.1529}, "repeats_hs": {"runs": 3, "values": [1.0992, 0.9973, 1.1303], "mean": 1.0756, "spread": 0.133}, "at": 1787030215}, "tier": 1, "relegate_reason": [], "submitted_at": 1787029670, "scored_at": 1787030215, "alerts": [], "rank": 6038}, {"candidate_id": "ODC-42872C", "res_at": 1786969714, "skeleton": "DYVNNXZLZIQXAD", "hf_user": "lasbagas", "display_name": "tonado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 5.604, "axes": {"activity": 2.42, "binding": 1.55, "selectivity": 0.0, "admet": 0.71, "novelty": 0.57, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.745, "fraction": 0.081}, "binding": {"pIC50": 4.91, "LE": 0.292, "potency_term": 0.08, "efficiency_cap": 0.975}, "selectivity": {"fold": 1.4, "selectivity_term": 0.066, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.719, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.928, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.323, "herg": 0.162, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 4.745355657365416, "aff_pf": 1.090475598971049, "aff_hs": 1.222868800163269, "repeats_pf": {"runs": 3, "values": [0.8358, 1.3377, 1.0979], "mean": 1.0905, "spread": 0.5018}, "repeats_hs": {"runs": 3, "values": [1.1626, 1.2258, 1.2802], "mean": 1.2229, "spread": 0.1177}, "at": 1786969714}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968643, "scored_at": 1786969714, "alerts": [], "rank": 6039}, {"candidate_id": "ODC-B6DBA0", "res_at": 1787016259, "skeleton": "RQANEXORKWIGLU", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C(··········N)nc1", "total": 5.589, "axes": {"activity": 3.25, "binding": 0.36, "selectivity": 0.0, "admet": 0.8, "novelty": 0.68, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.795, "fraction": 0.108}, "binding": {"pIC50": 4.41, "LE": 0.233, "potency_term": 0.023, "efficiency_cap": 0.775}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.677, "caco2-wang": 0.746, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.414, "cyp2c9-veith": 0.687, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.372}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 4.795203533007299, "aff_pf": 1.585320234298706, "aff_hs": 0.8907091617584229, "repeats_pf": {"runs": 3, "values": [1.5864, 1.5921, 1.5775], "mean": 1.5853, "spread": 0.0146}, "repeats_hs": {"runs": 3, "values": [0.7986, 0.8895, 0.984], "mean": 0.8907, "spread": 0.1854}, "at": 1787016259}, "tier": 1, "relegate_reason": [], "submitted_at": 1787016074, "scored_at": 1787016259, "alerts": [], "rank": 6040}, {"candidate_id": "ODC-6E0F21", "res_at": 1788785882, "skeleton": "UNLCVQRLDGOBDJ", "hf_user": "Bio-JS", "display_name": "0907-S1-02", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cc··········csc12", "total": 5.563, "axes": {"activity": 2.65, "binding": 1.34, "selectivity": 0.0, "admet": 0.62, "novelty": 0.53, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.759, "fraction": 0.088}, "binding": {"pIC50": 4.84, "LE": 0.301, "potency_term": 0.067, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.465, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.368, "ld50-zhu": 0.543, "herg": 0.261, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "0", "pAct_q10": 4.759278881682121, "aff_pf": 1.1599145730336506, "aff_hs": 1.0031301577885945, "repeats_pf": {"runs": 3, "values": [1.1383, 1.1163, 1.2251], "mean": 1.1599, "spread": 0.1089}, "repeats_hs": {"runs": 3, "values": [1.032, 1.0887, 0.8886], "mean": 1.0031, "spread": 0.2001}, "at": 1788785882}, "tier": 1, "alerts": [], "total_sd": 0.089, "total_ci95": [5.352, 5.718], "relegate_reason": [], "submitted_at": 1788707650, "scored_at": 1788785882, "rank": 6041}, {"candidate_id": "ODC-F1FB0F", "res_at": 1787026051, "skeleton": "PGHOEOAUJCCLRH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC[··········snc1O", "total": 5.489, "axes": {"activity": 3.04, "binding": 0.48, "selectivity": 0.0, "admet": 0.92, "novelty": 0.62, "synthesis": 0.43}, "detail": {"activity": {"pAct_q10": 4.782, "fraction": 0.101}, "binding": {"pIC50": 4.48, "LE": 0.267, "potency_term": 0.027, "efficiency_cap": 0.889}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.709, "caco2-wang": 0.664, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.939, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.232, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 3.02}}, "run": {"gpu": "3", "pAct_q10": 4.782381914734309, "aff_pf": 1.5238969326019287, "aff_hs": 1.0059022704760234, "repeats_pf": {"runs": 3, "values": [1.5305, 1.5017, 1.5395], "mean": 1.5239, "spread": 0.0378}, "repeats_hs": {"runs": 3, "values": [0.9891, 1.0205, 1.0081], "mean": 1.0059, "spread": 0.0315}, "at": 1787026051}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025175, "scored_at": 1787026051, "alerts": [], "rank": 6042}, {"candidate_id": "ODC-D8150B", "res_at": 1787219623, "skeleton": "MWUQIZDBIIFMBU", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········3)cc1", "total": 5.482, "axes": {"activity": 2.3, "binding": 1.35, "selectivity": 0.27, "admet": 0.68, "novelty": 0.5, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.738, "fraction": 0.077}, "binding": {"pIC50": 5.2, "LE": 0.396, "potency_term": 0.067, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.201, "target_engagement": 0.067}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.291, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.222, "cyp3a4-substrate-carbonmangels": 0.943, "ld50-zhu": 0.72, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.34, "novelty": 0.66}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "3", "pAct_q10": 4.737706278036094, "aff_pf": 0.7976241509119669, "aff_hs": 1.1994001865386963, "repeats_pf": {"runs": 3, "values": [0.5687, 0.8908, 0.9334], "mean": 0.7976, "spread": 0.3647}, "repeats_hs": {"runs": 3, "values": [1.1532, 1.2602, 1.1848], "mean": 1.1994, "spread": 0.1071}, "at": 1787219623}, "tier": 1, "relegate_reason": [], "submitted_at": 1787217178, "scored_at": 1787219623, "alerts": [], "rank": 6043}, {"candidate_id": "ODC-8F56F8", "res_at": 1786962070, "skeleton": "YHUOKEULXPECBX", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 5.471, "axes": {"activity": 2.8, "binding": 0.69, "selectivity": 0.0, "admet": 0.88, "novelty": 0.63, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.768, "fraction": 0.093}, "binding": {"pIC50": 4.58, "LE": 0.313, "potency_term": 0.035, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.627, "per_endpoint": {"solubility-aqsoldb": 0.558, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.695, "cyp3a4-substrate-carbonmangels": 0.056, "ld50-zhu": 0.431, "herg": 0.404, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.768006319989064, "aff_pf": 1.4236689805984497, "aff_hs": 1.2267349163691204, "repeats_pf": {"runs": 3, "values": [1.338, 1.5951, 1.3379], "mean": 1.4237, "spread": 0.2572}, "repeats_hs": {"runs": 3, "values": [1.1762, 1.1237, 1.3803], "mean": 1.2267, "spread": 0.2565}, "at": 1786962070}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959866, "scored_at": 1786962070, "alerts": [], "rank": 6044}, {"candidate_id": "ODC-D8825B", "res_at": 1787214793, "skeleton": "XRNIHZMZACHCSE", "hf_user": "JUNSAM", "display_name": "Ai_Sian", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········)c2o1", "total": 5.471, "axes": {"activity": 2.73, "binding": 0.74, "selectivity": 0.0, "admet": 0.99, "novelty": 0.69, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.562, "fraction": 0.091}, "binding": {"pIC50": 4.6, "LE": 0.35, "potency_term": 0.037, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.723, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.999, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 4.561827124491357, "aff_pf": 1.3985525369644165, "aff_hs": 1.1094216505686443, "repeats_pf": {"runs": 3, "values": [1.3311, 1.4567, 1.4079], "mean": 1.3986, "spread": 0.1255}, "repeats_hs": {"runs": 3, "values": [1.0509, 1.0159, 1.2614], "mean": 1.1094, "spread": 0.2455}, "at": 1787214793}, "tier": 1, "relegate_reason": [], "submitted_at": 1787213269, "scored_at": 1787214793, "alerts": [], "rank": 6045}, {"candidate_id": "ODC-3D50EE", "res_at": 1787292451, "skeleton": "FSAUVYFPVQPMKG", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········cc1=O", "total": 5.458, "axes": {"activity": 2.59, "binding": 0.99, "selectivity": 0.0, "admet": 0.8, "novelty": 0.66, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.541, "fraction": 0.086}, "binding": {"pIC50": 5.15, "LE": 0.321, "potency_term": 0.05, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.05}, "admet": {"geometric_mean": 0.62, "per_endpoint": {"solubility-aqsoldb": 0.47, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.471, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.365, "herg": 0.689, "dili": 0.5}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 4.541174962517415, "aff_pf": 0.8511958122253418, "aff_hs": 0.7341036399205526, "repeats_pf": {"runs": 3, "values": [0.9109, 0.7069, 0.9358], "mean": 0.8512, "spread": 0.2289}, "repeats_hs": {"runs": 3, "values": [0.7364, 0.855, 0.6109], "mean": 0.7341, "spread": 0.2441}, "at": 1787292451}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290824, "scored_at": 1787292451, "alerts": [], "rank": 6046}, {"candidate_id": "ODC-61A0E8", "res_at": 1787191637, "skeleton": "FAPUJCHKALULPC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccn··········)F)c1", "total": 5.447, "axes": {"activity": 2.89, "binding": 0.41, "selectivity": 0.0, "admet": 1.26, "novelty": 0.68, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.774, "fraction": 0.096}, "binding": {"pIC50": 4.39, "LE": 0.286, "potency_term": 0.022, "efficiency_cap": 0.954}, "selectivity": {"fold": 1.3, "selectivity_term": 0.05, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.873, "per_endpoint": {"solubility-aqsoldb": 0.789, "caco2-wang": 0.954, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.654, "ld50-zhu": 0.592, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 4.55}}, "run": {"gpu": "3", "pAct_q10": 4.773567509114681, "aff_pf": 1.6118628184000652, "aff_hs": 1.7119865814844768, "repeats_pf": {"runs": 3, "values": [1.8902, 1.4688, 1.4766], "mean": 1.6119, "spread": 0.4214}, "repeats_hs": {"runs": 3, "values": [1.7717, 1.6772, 1.6871], "mean": 1.712, "spread": 0.0945}, "at": 1787191637}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188756, "scored_at": 1787191637, "alerts": [], "rank": 6047}, {"candidate_id": "ODC-99CB39", "res_at": 1787074527, "skeleton": "XLNYWGYFXXWJMI", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1c(C(··········2)cc1", "total": 5.428, "axes": {"activity": 2.97, "binding": 0.34, "selectivity": 0.08, "admet": 0.87, "novelty": 0.68, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.778, "fraction": 0.099}, "binding": {"pIC50": 5.05, "LE": 0.288, "potency_term": 0.018, "efficiency_cap": 0.961}, "selectivity": {"fold": 2.8, "selectivity_term": 0.223, "target_engagement": 0.018}, "admet": {"geometric_mean": 0.584, "per_endpoint": {"solubility-aqsoldb": 0.774, "caco2-wang": 0.614, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.888, "cyp3a4-substrate-carbonmangels": 0.355, "ld50-zhu": 0.346, "herg": 0.05, "dili": 0.742}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.778234293947376, "aff_pf": 0.9469268321990967, "aff_hs": 1.3925371964772542, "repeats_pf": {"runs": 3, "values": [0.9246, 0.8902, 1.026], "mean": 0.9469, "spread": 0.1358}, "repeats_hs": {"runs": 3, "values": [1.1991, 1.44, 1.5385], "mean": 1.3925, "spread": 0.3394}, "at": 1787074527}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066158, "scored_at": 1787074527, "alerts": [], "rank": 6048}, {"candidate_id": "ODC-E114AE", "res_at": 1787945049, "skeleton": "BDAIFCKXFFYPMW", "hf_user": "dlghkdueo", "display_name": "SOMANG-E3", "model_name": "Claude", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(C··········cnc21", "total": 5.412, "axes": {"activity": 2.04, "binding": 1.75, "selectivity": 0.0, "admet": 0.66, "novelty": 0.52, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.446, "fraction": 0.068}, "binding": {"pIC50": 4.95, "LE": 0.339, "potency_term": 0.087, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.3, "selectivity_term": 0.433, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.503, "per_endpoint": {"solubility-aqsoldb": 0.499, "caco2-wang": 0.932, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.859, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.269, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 1.9}}, "run": {"gpu": "3", "pAct_q10": 4.44603093485808, "aff_pf": 1.0536877512931824, "aff_hs": 1.919381578763326, "repeats_pf": {"runs": 3, "values": [1.1085, 0.9516, 1.101], "mean": 1.0537, "spread": 0.1569}, "repeats_hs": {"runs": 3, "values": [1.9616, 1.9434, 1.8532], "mean": 1.9194, "spread": 0.1084}, "at": 1787945049}, "tier": 1, "relegate_reason": [], "submitted_at": 1787937091, "scored_at": 1787945049, "alerts": [], "rank": 6049}, {"candidate_id": "ODC-7ECE81", "res_at": 1787131330, "skeleton": "PPTLUANESCBXFV", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1COC··········1CCC1", "total": 5.407, "axes": {"activity": 2.99, "binding": 0.82, "selectivity": 0.0, "admet": 0.69, "novelty": 0.41, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.779, "fraction": 0.1}, "binding": {"pIC50": 4.69, "LE": 0.268, "potency_term": 0.046, "efficiency_cap": 0.893}, "selectivity": {"fold": 1.8, "selectivity_term": 0.129, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.458, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.773, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.234, "herg": 0.077, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.589, "novelty": 0.411}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.779408122047915, "aff_pf": 1.3092731634775798, "aff_hs": 1.566850741704305, "repeats_pf": {"runs": 3, "values": [1.29, 1.3605, 1.2774], "mean": 1.3093, "spread": 0.0831}, "repeats_hs": {"runs": 3, "values": [1.5808, 1.4545, 1.6652], "mean": 1.5669, "spread": 0.2107}, "at": 1787131330}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787123065, "scored_at": 1787131330, "rank": 6050}, {"candidate_id": "ODC-6390E0", "res_at": 1787146067, "skeleton": "SREUZTCOPGENGD", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(F)(F··········3)cc1", "total": 5.391, "axes": {"activity": 2.82, "binding": 0.59, "selectivity": 0.05, "admet": 0.9, "novelty": 0.57, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.769, "fraction": 0.094}, "binding": {"pIC50": 5.09, "LE": 0.332, "potency_term": 0.029, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.638, "per_endpoint": {"solubility-aqsoldb": 0.416, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.772, "cyp3a4-substrate-carbonmangels": 0.853, "ld50-zhu": 0.453, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "3", "pAct_q10": 4.7691629712679715, "aff_pf": 0.9121813178062439, "aff_hs": 1.0842173099517822, "repeats_pf": {"runs": 3, "values": [0.6822, 1.049, 1.0053], "mean": 0.9122, "spread": 0.3668}, "repeats_hs": {"runs": 3, "values": [1.115, 1.0475, 1.0901], "mean": 1.0842, "spread": 0.0675}, "at": 1787146067}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143186, "scored_at": 1787146067, "alerts": [], "rank": 6051}, {"candidate_id": "ODC-B3F2CB", "res_at": 1787075142, "skeleton": "RKUYXKZIYXNNHZ", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)cc1", "total": 5.374, "axes": {"activity": 2.51, "binding": 1.16, "selectivity": 0.14, "admet": 0.6, "novelty": 0.53, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.751, "fraction": 0.084}, "binding": {"pIC50": 5.18, "LE": 0.284, "potency_term": 0.061, "efficiency_cap": 0.947}, "selectivity": {"fold": 1.7, "selectivity_term": 0.115, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.656, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.358, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.334, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 4.750871539333848, "aff_pf": 0.8158647418022156, "aff_hs": 1.0464972654978435, "repeats_pf": {"runs": 3, "values": [0.7581, 0.7609, 0.9286], "mean": 0.8159, "spread": 0.1705}, "repeats_hs": {"runs": 3, "values": [0.8683, 1.0522, 1.219], "mean": 1.0465, "spread": 0.3507}, "at": 1787075142}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066186, "scored_at": 1787075142, "alerts": [], "rank": 6052}, {"candidate_id": "ODC-74665E", "res_at": 1787646599, "skeleton": "LSFDPMJYSSYTSF", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C(=O··········C1CC1", "total": 5.372, "axes": {"activity": 2.93, "binding": 0.63, "selectivity": 0.0, "admet": 0.65, "novelty": 0.68, "synthesis": 0.49}, "detail": {"activity": {"pAct_q10": 4.59, "fraction": 0.098}, "binding": {"pIC50": 4.59, "LE": 0.262, "potency_term": 0.036, "efficiency_cap": 0.873}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.522, "caco2-wang": 0.868, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.734, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.418, "herg": 0.078, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "3", "pAct_q10": 4.590455000878928, "aff_pf": 1.410830020904541, "aff_hs": 0.5906087557474772, "repeats_pf": {"runs": 3, "values": [1.4025, 1.4254, 1.4046], "mean": 1.4108, "spread": 0.023}, "repeats_hs": {"runs": 3, "values": [0.6358, 0.5765, 0.5596], "mean": 0.5906, "spread": 0.0762}, "at": 1787646599}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641354, "scored_at": 1787646599, "alerts": [], "rank": 6053}, {"candidate_id": "ODC-C14AFD", "res_at": 1787098486, "skeleton": "IQXNNFGSYIVUSX", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········ccc12", "total": 5.356, "axes": {"activity": 2.19, "binding": 1.6, "selectivity": 0.0, "admet": 0.66, "novelty": 0.51, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.474, "fraction": 0.073}, "binding": {"pIC50": 4.92, "LE": 0.293, "potency_term": 0.082, "efficiency_cap": 0.977}, "selectivity": {"fold": 1.8, "selectivity_term": 0.128, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.452, "cyp3a4-substrate-carbonmangels": 0.327, "ld50-zhu": 0.436, "herg": 0.495, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.474233239822558, "aff_pf": 1.0801790952682495, "aff_hs": 1.3365865151087444, "repeats_pf": {"runs": 3, "values": [1.0979, 1.0809, 1.0618], "mean": 1.0802, "spread": 0.0361}, "repeats_hs": {"runs": 3, "values": [1.2794, 1.2158, 1.5146], "mean": 1.3366, "spread": 0.2988}, "at": 1787098486}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097945, "scored_at": 1787098486, "alerts": [], "rank": 6054}, {"candidate_id": "ODC-B3127E", "res_at": 1788502649, "skeleton": "DVVCNZHEDBTNDZ", "hf_user": "dlghkdueo", "display_name": "R6-C4", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 5.355, "axes": {"activity": 1.46, "binding": 1.94, "selectivity": 0.0, "admet": 0.86, "novelty": 0.61, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.688, "fraction": 0.049}, "binding": {"pIC50": 4.99, "LE": 0.342, "potency_term": 0.097, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.158, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.593, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.93, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.751, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.354, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "0", "pAct_q10": 4.687625520603612, "aff_pf": 1.0129404465357463, "aff_hs": 1.3298982381820679, "repeats_pf": {"runs": 3, "values": [1.1125, 0.8383, 1.088], "mean": 1.0129, "spread": 0.2742}, "repeats_hs": {"runs": 3, "values": [1.3506, 1.3438, 1.2953], "mean": 1.3299, "spread": 0.0553}, "at": 1788502649}, "tier": 1, "alerts": [], "total_sd": 0.867, "total_ci95": [3.004, 5.435], "relegate_reason": [], "submitted_at": 1788447883, "scored_at": 1788502649, "rank": 6055}, {"candidate_id": "ODC-B09397", "res_at": 1787144760, "skeleton": "MAORBMOUAAFDHW", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 5.326, "axes": {"activity": 2.51, "binding": 1.42, "selectivity": 0.0, "admet": 0.69, "novelty": 0.29, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.529, "fraction": 0.084}, "binding": {"pIC50": 4.86, "LE": 0.351, "potency_term": 0.071, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.637, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.06, "ld50-zhu": 0.371, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.66, "novelty": 0.34}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 4.529366900843854, "aff_pf": 1.1371222337086995, "aff_hs": 1.0103761951128643, "repeats_pf": {"runs": 3, "values": [1.1422, 1.1282, 1.141], "mean": 1.1371, "spread": 0.014}, "repeats_hs": {"runs": 3, "values": [1.0248, 0.9907, 1.0156], "mean": 1.0104, "spread": 0.0341}, "at": 1787144760}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143004, "scored_at": 1787144760, "alerts": [], "rank": 6056}, {"candidate_id": "ODC-7D7871", "res_at": 1786967580, "skeleton": "OIEQRBZOLOOTHN", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 5.311, "axes": {"activity": 2.97, "binding": 0.14, "selectivity": 0.04, "admet": 1.05, "novelty": 0.64, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.596, "fraction": 0.099}, "binding": {"pIC50": 5.02, "LE": 0.328, "potency_term": 0.007, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.007}, "admet": {"geometric_mean": 0.704, "per_endpoint": {"solubility-aqsoldb": 0.6, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.723, "herg": 0.545, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 4.596275519447613, "aff_pf": 0.9792623718579611, "aff_hs": 1.5555028120676677, "repeats_pf": {"runs": 3, "values": [0.9249, 1.0314, 0.9815], "mean": 0.9793, "spread": 0.1065}, "repeats_hs": {"runs": 3, "values": [1.501, 1.6516, 1.5138], "mean": 1.5555, "spread": 0.1506}, "at": 1786967580}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966924, "scored_at": 1786967580, "alerts": [], "rank": 6057}, {"candidate_id": "ODC-D23524", "res_at": 1786989333, "skeleton": "ARUAXIZVPAFGOU", "hf_user": "polarbearsong", "display_name": "ODC-R2-10-thienopyridine-flat", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········ccc1F", "total": 5.298, "axes": {"activity": 2.05, "binding": 1.59, "selectivity": 0.18, "admet": 0.61, "novelty": 0.48, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.723, "fraction": 0.068}, "binding": {"pIC50": 5.24, "LE": 0.299, "potency_term": 0.08, "efficiency_cap": 0.997}, "selectivity": {"fold": 1.7, "selectivity_term": 0.113, "target_engagement": 0.08}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.531, "ld50-zhu": 0.461, "herg": 0.451, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.723020592799042, "aff_pf": 0.7614538470904032, "aff_hs": 0.9874779383341471, "repeats_pf": {"runs": 3, "values": [0.913, 0.6153, 0.756], "mean": 0.7615, "spread": 0.2977}, "repeats_hs": {"runs": 3, "values": [0.8693, 0.9375, 1.1556], "mean": 0.9875, "spread": 0.2864}, "at": 1786989333}, "tier": 1, "relegate_reason": [], "submitted_at": 1786984963, "scored_at": 1786989333, "alerts": [], "rank": 6058}, {"candidate_id": "ODC-2182D9", "res_at": 1786821676, "skeleton": "QLWGJJNASHGDRH", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1NCC··········)nc21", "total": 5.293, "axes": {"activity": 2.79, "binding": 0.86, "selectivity": 0.0, "admet": 0.55, "novelty": 0.63, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.767, "fraction": 0.093}, "binding": {"pIC50": 4.69, "LE": 0.279, "potency_term": 0.046, "efficiency_cap": 0.932}, "selectivity": {"fold": 1.2, "selectivity_term": 0.034, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.398, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.121, "cyp3a4-substrate-carbonmangels": 0.23, "ld50-zhu": 0.113, "herg": 0.323, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 4.7674947211051135, "aff_pf": 1.3078256050745647, "aff_hs": 1.375552733739217, "repeats_pf": {"runs": 3, "values": [1.3663, 1.2792, 1.278], "mean": 1.3078, "spread": 0.0883}, "repeats_hs": {"runs": 3, "values": [1.299, 1.4084, 1.4192], "mean": 1.3756, "spread": 0.1203}, "at": 1786821676}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789900, "scored_at": 1786821676, "alerts": [], "rank": 6059}, {"candidate_id": "ODC-0EADA8", "res_at": 1786859691, "skeleton": "OXWYFNLATNGRQB", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 5.279, "axes": {"activity": 2.69, "binding": 1.19, "selectivity": 0.0, "admet": 0.51, "novelty": 0.51, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.556, "fraction": 0.09}, "binding": {"pIC50": 4.86, "LE": 0.256, "potency_term": 0.07, "efficiency_cap": 0.853}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 0.707, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.399, "ld50-zhu": 0.492, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "2", "pAct_q10": 4.555784470318059, "aff_pf": 1.144913117090861, "aff_hs": 1.2859830856323242, "repeats_pf": {"runs": 3, "values": [1.1467, 1.2461, 1.0419], "mean": 1.1449, "spread": 0.2042}, "repeats_hs": {"runs": 3, "values": [1.2995, 1.2545, 1.3039], "mean": 1.286, "spread": 0.0494}, "at": 1786859691}, "tier": 1, "relegate_reason": [], "submitted_at": 1786849019, "scored_at": 1786859691, "alerts": [], "rank": 6060}, {"candidate_id": "ODC-608106", "res_at": 1788830762, "skeleton": "WRMAHMAGWWDIMD", "hf_user": "daehan1123", "display_name": "Hanguri-GPT-3", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········=O)N2", "total": 5.275, "axes": {"activity": 1.77, "binding": 1.8, "selectivity": 0.0, "admet": 0.66, "novelty": 0.6, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.388, "fraction": 0.059}, "binding": {"pIC50": 4.96, "LE": 0.323, "potency_term": 0.09, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.491, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.093, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.326, "herg": 0.639, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "0", "pAct_q10": 4.388462928612748, "aff_pf": 1.0423418680826824, "aff_hs": 0.8601182103157043, "repeats_pf": {"runs": 3, "values": [1.098, 1.0137, 1.0153], "mean": 1.0423, "spread": 0.0843}, "repeats_hs": {"runs": 3, "values": [0.9059, 0.7498, 0.9247], "mean": 0.8601, "spread": 0.1749}, "at": 1788830762}, "tier": 1, "alerts": [], "total_sd": 0.192, "total_ci95": [5.037, 5.535], "relegate_reason": [], "submitted_at": 1788828254, "scored_at": 1788830762, "rank": 6061}, {"candidate_id": "ODC-87F47A", "res_at": 1786858390, "skeleton": "WEHJSDMIYOGFFU", "hf_user": "Binggu8", "display_name": "BingGu", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cn2n··········(F)c1", "total": 5.266, "axes": {"activity": 3.0, "binding": 0.46, "selectivity": 0.09, "admet": 0.69, "novelty": 0.57, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.78, "fraction": 0.1}, "binding": {"pIC50": 5.07, "LE": 0.302, "potency_term": 0.023, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.023}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.945, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.357, "cyp3a4-substrate-carbonmangels": 0.071, "ld50-zhu": 0.261, "herg": 0.774, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "2", "pAct_q10": 4.780158910713856, "aff_pf": 0.9307710329691569, "aff_hs": 1.3411441644032795, "repeats_pf": {"runs": 3, "values": [0.9287, 0.8764, 0.9873], "mean": 0.9308, "spread": 0.1109}, "repeats_hs": {"runs": 3, "values": [1.3032, 1.3607, 1.3595], "mean": 1.3411, "spread": 0.0575}, "at": 1786858390}, "tier": 1, "relegate_reason": [], "submitted_at": 1786848324, "scored_at": 1786858390, "alerts": [], "rank": 6062}, {"candidate_id": "ODC-2733FE", "res_at": 1787553900, "skeleton": "KURZUOVUODVRSQ", "hf_user": "filex815", "display_name": "filex815", "model_name": "Ox-alpha", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········CCCC1", "total": 5.265, "axes": {"activity": 2.87, "binding": 0.48, "selectivity": 0.0, "admet": 0.93, "novelty": 0.51, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.583, "fraction": 0.096}, "binding": {"pIC50": 4.43, "LE": 0.379, "potency_term": 0.024, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.645, "per_endpoint": {"solubility-aqsoldb": 0.745, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.472, "novelty": 0.528}, "synthesis": {"sa_score": 1.85}}, "run": {"gpu": "3", "pAct_q10": 4.5829299062210085, "aff_pf": 1.5717958609263103, "aff_hs": 1.3580650091171265, "repeats_pf": {"runs": 3, "values": [1.5755, 1.5609, 1.579], "mean": 1.5718, "spread": 0.0181}, "repeats_hs": {"runs": 3, "values": [1.0742, 1.5413, 1.4587], "mean": 1.3581, "spread": 0.467}, "at": 1787553900}, "tier": 1, "relegate_reason": [], "submitted_at": 1787536203, "scored_at": 1787553900, "alerts": [], "rank": 6063}, {"candidate_id": "ODC-D96089", "res_at": 1786960609, "skeleton": "SEOAMWVKWRAJDA", "hf_user": "PhD-Shin", "display_name": "PhD-Shin B5", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········F)cc1", "total": 5.251, "axes": {"activity": 3.01, "binding": 0.26, "selectivity": 0.0, "admet": 0.98, "novelty": 0.57, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.781, "fraction": 0.1}, "binding": {"pIC50": 5.06, "LE": 0.21, "potency_term": 0.019, "efficiency_cap": 0.7}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.653, "per_endpoint": {"solubility-aqsoldb": 0.749, "caco2-wang": 0.47, "hia-hou": 1.0, "bioavailability-ma": 0.948, "pgp-broccatelli": 0.986, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.204, "ld50-zhu": 0.42, "herg": 0.739, "dili": 0.567}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 4.780620563882984, "aff_pf": 0.9433775544166565, "aff_hs": 0.8423617283503214, "repeats_pf": {"runs": 3, "values": [1.2105, 0.742, 0.8776], "mean": 0.9434, "spread": 0.4684}, "repeats_hs": {"runs": 3, "values": [0.649, 1.1882, 0.6898], "mean": 0.8424, "spread": 0.5392}, "at": 1786960609}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958986, "scored_at": 1786960609, "alerts": [], "rank": 6064}, {"candidate_id": "ODC-4769D7", "res_at": 1788859509, "skeleton": "FCCGKZVWPQDLPI", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-20", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc(··········cc2n1", "total": 5.251, "axes": {"activity": 3.17, "binding": 0.5, "selectivity": 0.0, "admet": 0.52, "novelty": 0.53, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.79, "fraction": 0.106}, "binding": {"pIC50": 4.51, "LE": 0.257, "potency_term": 0.029, "efficiency_cap": 0.858}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.067, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.354, "cyp2c9-veith": 0.085, "cyp3a4-substrate-carbonmangels": 0.505, "ld50-zhu": 0.636, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "0", "pAct_q10": 4.790486523426969, "aff_pf": 1.4934200445810955, "aff_hs": 1.0945921738942463, "repeats_pf": {"runs": 3, "values": [1.4857, 1.4513, 1.5433], "mean": 1.4934, "spread": 0.092}, "repeats_hs": {"runs": 3, "values": [1.1165, 1.1037, 1.0636], "mean": 1.0946, "spread": 0.0529}, "at": 1788859509}, "tier": 1, "alerts": [], "total_sd": 0.028, "total_ci95": [5.188, 5.295], "relegate_reason": [], "submitted_at": 1788856514, "scored_at": 1788859509, "rank": 6065}, {"candidate_id": "ODC-4821AE", "res_at": 1786842085, "skeleton": "AOBJFJZSRSRVQI", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nc(-··········c2)n1", "total": 5.236, "axes": {"activity": 2.29, "binding": 1.39, "selectivity": 0.17, "admet": 0.59, "novelty": 0.42, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.737, "fraction": 0.076}, "binding": {"pIC50": 5.21, "LE": 0.34, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.069}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.106, "caco2-wang": 0.939, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.96, "cyp3a4-substrate-carbonmangels": 0.836, "ld50-zhu": 0.34, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.455, "novelty": 0.545}, "synthesis": {"sa_score": 1.8}}, "run": {"gpu": "2", "pAct_q10": 4.737482412615851, "aff_pf": 0.7918275793393453, "aff_hs": 1.036395827929179, "repeats_pf": {"runs": 3, "values": [0.9615, 0.8509, 0.5632], "mean": 0.7918, "spread": 0.3983}, "repeats_hs": {"runs": 3, "values": [0.8431, 1.0496, 1.2164], "mean": 1.0364, "spread": 0.3733}, "at": 1786842085}, "tier": 1, "relegate_reason": [], "submitted_at": 1786806843, "scored_at": 1786842085, "alerts": [], "rank": 6066}, {"candidate_id": "ODC-E6BBEF", "res_at": 1787647941, "skeleton": "CTNVRXOYNNUEPS", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN=S(C)··········cnn12", "total": 5.233, "axes": {"activity": 1.72, "binding": 1.86, "selectivity": 0.0, "admet": 0.76, "novelty": 0.55, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.377, "fraction": 0.057}, "binding": {"pIC50": 4.97, "LE": 0.31, "potency_term": 0.093, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.195, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.91, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.989, "cyp3a4-substrate-carbonmangels": 0.114, "ld50-zhu": 0.501, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 4.376665824963759, "aff_pf": 1.0290581583976746, "aff_hs": 1.4184277852376301, "repeats_pf": {"runs": 3, "values": [0.9891, 1.0503, 1.0478], "mean": 1.0291, "spread": 0.0612}, "repeats_hs": {"runs": 3, "values": [1.5117, 1.3797, 1.3639], "mean": 1.4184, "spread": 0.1478}, "at": 1787647941}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641424, "scored_at": 1787647941, "alerts": [], "rank": 6067}, {"candidate_id": "ODC-AB29FA", "res_at": 1787128293, "skeleton": "DAVPISPKAURQFP", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CN1C(=O··········F)cn1", "total": 5.229, "axes": {"activity": 2.2, "binding": 1.36, "selectivity": 0.0, "admet": 0.93, "novelty": 0.57, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.476, "fraction": 0.073}, "binding": {"pIC50": 4.85, "LE": 0.332, "potency_term": 0.068, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.249, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.845, "per_endpoint": {"solubility-aqsoldb": 0.688, "caco2-wang": 0.997, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.807, "ld50-zhu": 0.571, "herg": 1.0, "dili": 0.641}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 4.36}}, "run": {"gpu": "3", "pAct_q10": 4.476058774064076, "aff_pf": 1.1545658906300862, "aff_hs": 1.6523544788360596, "repeats_pf": {"runs": 3, "values": [1.1313, 1.1947, 1.1377], "mean": 1.1546, "spread": 0.0634}, "repeats_hs": {"runs": 3, "values": [1.7442, 1.4785, 1.7344], "mean": 1.6524, "spread": 0.2657}, "at": 1787128293}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116587, "scored_at": 1787128293, "alerts": [], "rank": 6068}, {"candidate_id": "ODC-B36F6E", "res_at": 1787098856, "skeleton": "KIZCHMQNWTXPFP", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cc··········l)cc1", "total": 5.229, "axes": {"activity": 2.89, "binding": 0.49, "selectivity": 0.0, "admet": 0.74, "novelty": 0.62, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.586, "fraction": 0.096}, "binding": {"pIC50": 4.45, "LE": 0.29, "potency_term": 0.025, "efficiency_cap": 0.968}, "selectivity": {"fold": 1.3, "selectivity_term": 0.063, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.502, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.735, "ld50-zhu": 0.31, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "3", "pAct_q10": 4.585701452966071, "aff_pf": 1.548776388168335, "aff_hs": 1.675199031829834, "repeats_pf": {"runs": 3, "values": [1.5551, 1.4841, 1.6071], "mean": 1.5488, "spread": 0.123}, "repeats_hs": {"runs": 3, "values": [1.672, 1.6795, 1.6742], "mean": 1.6752, "spread": 0.0075}, "at": 1787098856}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097963, "scored_at": 1787098856, "alerts": [], "rank": 6069}, {"candidate_id": "ODC-552C55", "res_at": 1789322093, "skeleton": "ZFMQXAKXZRPCHC", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········ccnc1", "total": 5.229, "axes": {"activity": 2.65, "binding": 0.91, "selectivity": 0.0, "admet": 0.7, "novelty": 0.54, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.759, "fraction": 0.088}, "binding": {"pIC50": 5.14, "LE": 0.352, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.509, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.324, "herg": 1.0, "dili": 0.216}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 1.83}}, "run": {"gpu": "0", "pAct_q10": 4.758737063647559, "aff_pf": 0.8640778064727783, "aff_hs": 0.7860219478607178, "repeats_pf": {"runs": 3, "values": [0.8535, 0.8204, 0.9184], "mean": 0.8641, "spread": 0.098}, "repeats_hs": {"runs": 3, "values": [0.6565, 0.8022, 0.8993], "mean": 0.786, "spread": 0.2428}, "at": 1789322093}, "tier": 1, "alerts": [], "total_sd": 0.161, "total_ci95": [5.011, 5.52], "relegate_reason": [], "submitted_at": 1789317665, "scored_at": 1789322093, "rank": 6070}, {"candidate_id": "ODC-60193A", "res_at": 1786827732, "skeleton": "WLGZVMJLAAIDCM", "hf_user": "zero-stone", "display_name": "ZERO", "model_name": "gemini", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)no1", "total": 5.224, "axes": {"activity": 2.6, "binding": 0.89, "selectivity": 0.11, "admet": 0.65, "novelty": 0.56, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.542, "fraction": 0.087}, "binding": {"pIC50": 5.13, "LE": 0.335, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.044}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.491, "ld50-zhu": 0.271, "herg": 0.72, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.349, "novelty": 0.651}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.542096346076452, "aff_pf": 0.8669612407684326, "aff_hs": 1.1122290690739949, "repeats_pf": {"runs": 3, "values": [0.8624, 0.8441, 0.8943], "mean": 0.867, "spread": 0.0502}, "repeats_hs": {"runs": 3, "values": [1.0494, 1.1474, 1.1399], "mean": 1.1122, "spread": 0.098}, "at": 1786827732}, "tier": 1, "relegate_reason": [], "submitted_at": 1786791478, "scored_at": 1786827732, "alerts": [], "rank": 6071}, {"candidate_id": "ODC-D72018", "res_at": 1787949202, "skeleton": "NSTZDGKJLOQFDJ", "hf_user": "dlghkdueo", "display_name": "SOMANG-D2", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cc(C··········cnc21", "total": 5.204, "axes": {"activity": 1.76, "binding": 1.77, "selectivity": 0.0, "admet": 0.7, "novelty": 0.53, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.706, "fraction": 0.059}, "binding": {"pIC50": 4.97, "LE": 0.284, "potency_term": 0.093, "efficiency_cap": 0.946}, "selectivity": {"fold": 1.2, "selectivity_term": 0.031, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.529, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.575, "cyp3a4-substrate-carbonmangels": 0.43, "ld50-zhu": 0.315, "herg": 0.671, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "0", "pAct_q10": 4.705898152317114, "aff_pf": 1.0277456442515056, "aff_hs": 1.0906545718510945, "repeats_pf": {"runs": 3, "values": [1.0939, 1.0439, 0.9455], "mean": 1.0277, "spread": 0.1484}, "repeats_hs": {"runs": 3, "values": [1.1476, 1.0551, 1.0692], "mean": 1.0907, "spread": 0.0924}, "at": 1787949202}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936964, "scored_at": 1787949202, "alerts": [], "rank": 6072}, {"candidate_id": "ODC-28E34C", "res_at": 1786949237, "skeleton": "RHZLPWXPGLGMLM", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-012 real PfDHODH literature-grounded", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········c2)c1", "total": 5.19, "axes": {"activity": 1.1, "binding": 2.19, "selectivity": 0.18, "admet": 0.61, "novelty": 0.56, "synthesis": 0.55}, "detail": {"activity": {"pAct_q10": 4.2, "fraction": 0.037}, "binding": {"pIC50": 5.33, "LE": 0.332, "potency_term": 0.11, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.081, "target_engagement": 0.11}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.679, "ld50-zhu": 0.343, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "3", "pAct_q10": 4.199725138168077, "aff_pf": 0.6712148189544678, "aff_hs": 0.8328085541725159, "repeats_pf": {"runs": 3, "values": [0.6437, 0.6757, 0.6942], "mean": 0.6712, "spread": 0.0505}, "repeats_hs": {"runs": 3, "values": [0.6928, 0.9625, 0.8432], "mean": 0.8328, "spread": 0.2696}, "at": 1786949237}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1786937495, "scored_at": 1786949237, "rank": 6073}, {"candidate_id": "ODC-C9E51E", "res_at": 1787209987, "skeleton": "WDIPFCIVMVJWSK", "hf_user": "injaeryou", "display_name": "Injae Ryou", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1cc2··········nn2c1", "total": 5.162, "axes": {"activity": 1.54, "binding": 1.86, "selectivity": 0.0, "admet": 0.76, "novelty": 0.55, "synthesis": 0.45}, "detail": {"activity": {"pAct_q10": 4.692, "fraction": 0.051}, "binding": {"pIC50": 5.28, "LE": 0.329, "potency_term": 0.093, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.093}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.905, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.486, "cyp2c9-veith": 0.301, "cyp3a4-substrate-carbonmangels": 0.906, "ld50-zhu": 0.499, "herg": 0.658, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 4.692495835256461, "aff_pf": 0.7210055390993754, "aff_hs": 0.3955414990584056, "repeats_pf": {"runs": 3, "values": [0.7264, 0.791, 0.6456], "mean": 0.721, "spread": 0.1454}, "repeats_hs": {"runs": 3, "values": [0.3488, 0.5246, 0.3132], "mean": 0.3955, "spread": 0.2115}, "at": 1787209987}, "tier": 1, "relegate_reason": [], "submitted_at": 1787208274, "scored_at": 1787209987, "alerts": [], "rank": 6074}, {"candidate_id": "ODC-A194DA", "res_at": 1789506293, "skeleton": "NVTIISIJQSHRDE", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 5.162, "axes": {"activity": 3.08, "binding": 0.23, "selectivity": 0.02, "admet": 0.68, "novelty": 0.63, "synthesis": 0.51}, "detail": {"activity": {"pAct_q10": 4.785, "fraction": 0.103}, "binding": {"pIC50": 5.04, "LE": 0.276, "potency_term": 0.013, "efficiency_cap": 0.92}, "selectivity": {"fold": 1.4, "selectivity_term": 0.076, "target_engagement": 0.013}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 0.859, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.522, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.04}}, "run": {"gpu": "0", "pAct_q10": 4.784778530590903, "aff_pf": 0.9617753823598226, "aff_hs": 1.1136162281036377, "repeats_pf": {"runs": 3, "values": [1.019, 0.8397, 1.0267], "mean": 0.9618, "spread": 0.187}, "repeats_hs": {"runs": 3, "values": [1.146, 1.0916, 1.1032], "mean": 1.1136, "spread": 0.0544}, "at": 1789506293}, "tier": 1, "alerts": [], "total_sd": 0.645, "total_ci95": [5.143, 6.643], "relegate_reason": [], "submitted_at": 1789495200, "scored_at": 1789506293, "rank": 6075}, {"candidate_id": "ODC-872B5D", "res_at": 1786874576, "skeleton": "WYEBVDUJBSLXDF", "hf_user": "route-rude", "display_name": "WONNOW-SuperDaddy", "model_name": "gemini", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········[nH]1", "total": 5.155, "axes": {"activity": 3.16, "binding": 0.28, "selectivity": 0.08, "admet": 0.52, "novelty": 0.58, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.79, "fraction": 0.105}, "binding": {"pIC50": 5.04, "LE": 0.288, "potency_term": 0.015, "efficiency_cap": 0.96}, "selectivity": {"fold": 3.2, "selectivity_term": 0.255, "target_engagement": 0.015}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.141, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.451, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.78, "ld50-zhu": 0.214, "herg": 0.055, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 2.02}}, "run": {"gpu": "3", "pAct_q10": 4.789856556654202, "aff_pf": 0.955541213353475, "aff_hs": 1.4658474922180176, "repeats_pf": {"runs": 3, "values": [1.0222, 0.9535, 0.8909], "mean": 0.9555, "spread": 0.1314}, "repeats_hs": {"runs": 3, "values": [1.3467, 1.5158, 1.535], "mean": 1.4658, "spread": 0.1883}, "at": 1786874576}, "tier": 1, "relegate_reason": [], "submitted_at": 1786866835, "scored_at": 1786874576, "alerts": [], "rank": 6076}, {"candidate_id": "ODC-8A0B5E", "res_at": 1789321354, "skeleton": "SSURTMBENLKKDP", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 5.134, "axes": {"activity": 2.36, "binding": 1.17, "selectivity": 0.0, "admet": 0.72, "novelty": 0.49, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.504, "fraction": 0.079}, "binding": {"pIC50": 4.79, "LE": 0.328, "potency_term": 0.059, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.083, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.628, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.94, "cyp2c9-veith": 0.678, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.319, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.0}}, "run": {"gpu": "0", "pAct_q10": 4.5040031186124265, "aff_pf": 1.2133245468139648, "aff_hs": 1.3783719937006633, "repeats_pf": {"runs": 3, "values": [1.2053, 1.1484, 1.2863], "mean": 1.2133, "spread": 0.1379}, "repeats_hs": {"runs": 3, "values": [1.2054, 1.4694, 1.4604], "mean": 1.3784, "spread": 0.264}, "at": 1789321354}, "tier": 1, "alerts": [], "total_sd": 0.095, "total_ci95": [4.939, 5.341], "relegate_reason": [], "submitted_at": 1789317653, "scored_at": 1789321354, "rank": 6077}, {"candidate_id": "ODC-030F53", "res_at": 1787129049, "skeleton": "NQPYVIHQPMILGV", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(c1n··········H]2C1", "total": 5.131, "axes": {"activity": 2.53, "binding": 0.77, "selectivity": 0.0, "admet": 0.88, "novelty": 0.62, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.532, "fraction": 0.084}, "binding": {"pIC50": 4.62, "LE": 0.316, "potency_term": 0.039, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.692, "per_endpoint": {"solubility-aqsoldb": 0.847, "caco2-wang": 0.856, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.429, "ld50-zhu": 0.347, "herg": 0.148, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 4.532275137880593, "aff_pf": 1.3805571794509888, "aff_hs": 0.8742058674494425, "repeats_pf": {"runs": 3, "values": [1.1786, 1.3126, 1.6504], "mean": 1.3806, "spread": 0.4718}, "repeats_hs": {"runs": 3, "values": [0.9616, 0.799, 0.862], "mean": 0.8742, "spread": 0.1626}, "at": 1787129049}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116657, "scored_at": 1787129049, "alerts": [], "rank": 6078}, {"candidate_id": "ODC-CE711A", "res_at": 1787236529, "skeleton": "RZHBRDSINCCSHO", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(O)c··········C2)n1", "total": 5.131, "axes": {"activity": 2.76, "binding": 0.42, "selectivity": 0.0, "admet": 0.87, "novelty": 0.62, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.566, "fraction": 0.092}, "binding": {"pIC50": 4.38, "LE": 0.333, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.634, "per_endpoint": {"solubility-aqsoldb": 0.75, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.458, "ld50-zhu": 0.34, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.1}}, "run": {"gpu": "3", "pAct_q10": 4.566438804561865, "aff_pf": 1.6240099668502808, "aff_hs": 1.0288503170013428, "repeats_pf": {"runs": 3, "values": [1.6448, 1.6743, 1.553], "mean": 1.624, "spread": 0.1213}, "repeats_hs": {"runs": 3, "values": [1.0035, 1.0553, 1.0278], "mean": 1.0289, "spread": 0.0518}, "at": 1787236529}, "tier": 1, "relegate_reason": [], "submitted_at": 1787232246, "scored_at": 1787236529, "alerts": [], "rank": 6079}, {"candidate_id": "ODC-60C147", "res_at": 1787074119, "skeleton": "LQZQLDXJFVSNHL", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cc1", "total": 5.084, "axes": {"activity": 1.91, "binding": 1.63, "selectivity": 0.0, "admet": 0.63, "novelty": 0.5, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.42, "fraction": 0.064}, "binding": {"pIC50": 4.92, "LE": 0.337, "potency_term": 0.081, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.943, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.654, "cyp3a4-substrate-carbonmangels": 0.64, "ld50-zhu": 0.294, "herg": 0.257, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 4.419932317814758, "aff_pf": 1.0821381012598674, "aff_hs": 1.6589045127232869, "repeats_pf": {"runs": 3, "values": [1.0259, 1.132, 1.0885], "mean": 1.0821, "spread": 0.1061}, "repeats_hs": {"runs": 3, "values": [1.6536, 1.6763, 1.6468], "mean": 1.6589, "spread": 0.0295}, "at": 1787074119}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066130, "scored_at": 1787074119, "alerts": [], "rank": 6080}, {"candidate_id": "ODC-50F665", "res_at": 1789935717, "skeleton": "HLBVJBNXEAYBMH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········ccc12", "total": 5.055, "axes": {"activity": 3.14, "binding": 0.1, "selectivity": 0.02, "admet": 0.69, "novelty": 0.59, "synthesis": 0.52}, "detail": {"activity": {"pAct_q10": 4.788, "fraction": 0.105}, "binding": {"pIC50": 5.02, "LE": 0.229, "potency_term": 0.007, "efficiency_cap": 0.764}, "selectivity": {"fold": 1.8, "selectivity_term": 0.131, "target_engagement": 0.007}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.192, "cyp2c9-veith": 0.71, "cyp3a4-substrate-carbonmangels": 0.346, "ld50-zhu": 0.364, "herg": 0.185, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.439, "novelty": 0.561}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "0", "pAct_q10": 4.78820536678672, "aff_pf": 0.979414184888204, "aff_hs": 1.240986982981364, "repeats_pf": {"runs": 3, "values": [1.1793, 0.7368, 1.0222], "mean": 0.9794, "spread": 0.4426}, "repeats_hs": {"runs": 3, "values": [1.239, 1.2134, 1.2706], "mean": 1.241, "spread": 0.0572}, "at": 1789935717}, "tier": 1, "alerts": [], "total_sd": 0.523, "total_ci95": [5.054, 6.773], "relegate_reason": [], "submitted_at": 1789778783, "scored_at": 1789935717, "rank": 6081}, {"candidate_id": "ODC-938207", "res_at": 1787022762, "skeleton": "LFOQNIVGIJZDKH", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········cc1Br", "total": 5.041, "axes": {"activity": 2.97, "binding": 0.07, "selectivity": 0.0, "admet": 0.84, "novelty": 0.68, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.596, "fraction": 0.099}, "binding": {"pIC50": 5.01, "LE": 0.312, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.004}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.524, "ld50-zhu": 0.724, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "2", "pAct_q10": 4.596169260081297, "aff_pf": 0.9887936115264893, "aff_hs": 0.9752129515012106, "repeats_pf": {"runs": 3, "values": [1.067, 0.9545, 0.9448], "mean": 0.9888, "spread": 0.1221}, "repeats_hs": {"runs": 3, "values": [1.0561, 0.9805, 0.8891], "mean": 0.9752, "spread": 0.167}, "at": 1787022762}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021492, "scored_at": 1787022762, "alerts": [], "rank": 6082}, {"candidate_id": "ODC-4F84F4", "res_at": 1786981540, "skeleton": "JEKPXALZQZOVFB", "hf_user": "polarbearsong", "display_name": "ODC-R1-03-azaindole", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(C(··········cnc21", "total": 5.037, "axes": {"activity": 2.81, "binding": 0.55, "selectivity": 0.0, "admet": 0.64, "novelty": 0.58, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.769, "fraction": 0.094}, "binding": {"pIC50": 5.1, "LE": 0.259, "potency_term": 0.032, "efficiency_cap": 0.862}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.032}, "admet": {"geometric_mean": 0.452, "per_endpoint": {"solubility-aqsoldb": 0.298, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.936, "cyp2c9-veith": 0.624, "cyp3a4-substrate-carbonmangels": 0.245, "ld50-zhu": 0.522, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 4.768576107042204, "aff_pf": 0.9038060506184896, "aff_hs": 0.6877092123031616, "repeats_pf": {"runs": 3, "values": [0.768, 1.0334, 0.9099], "mean": 0.9038, "spread": 0.2654}, "repeats_hs": {"runs": 3, "values": [0.8238, 0.5612, 0.6782], "mean": 0.6877, "spread": 0.2625}, "at": 1786981540}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979277, "scored_at": 1786981540, "alerts": [], "rank": 6083}, {"candidate_id": "ODC-39F405", "res_at": 1787072721, "skeleton": "YKKABXCXNUCBST", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "c1cc(Nc··········)ccn1", "total": 5.031, "axes": {"activity": 2.44, "binding": 0.84, "selectivity": 0.0, "admet": 0.83, "novelty": 0.55, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.746, "fraction": 0.081}, "binding": {"pIC50": 4.65, "LE": 0.319, "potency_term": 0.042, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.685, "per_endpoint": {"solubility-aqsoldb": 0.652, "caco2-wang": 0.784, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.632, "cyp3a4-substrate-carbonmangels": 0.425, "ld50-zhu": 0.292, "herg": 1.0, "dili": 0.57}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 4.746234133114214, "aff_pf": 1.347007433573405, "aff_hs": 1.1961285670598347, "repeats_pf": {"runs": 3, "values": [1.3375, 1.3668, 1.3367], "mean": 1.347, "spread": 0.0302}, "repeats_hs": {"runs": 3, "values": [1.158, 1.232, 1.1984], "mean": 1.1961, "spread": 0.074}, "at": 1787072721}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066039, "scored_at": 1787072721, "alerts": [], "rank": 6084}, {"candidate_id": "ODC-9DA051", "res_at": 1787163658, "skeleton": "UVRLZHUKKVOWKS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W4-R1", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(O)c··········2)cc1", "total": 5.03, "axes": {"activity": 1.87, "binding": 1.63, "selectivity": 0.0, "admet": 0.61, "novelty": 0.51, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.411, "fraction": 0.062}, "binding": {"pIC50": 4.92, "LE": 0.306, "potency_term": 0.081, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.38, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.226, "caco2-wang": 0.864, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.279, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 1.84}}, "run": {"gpu": "3", "pAct_q10": 4.410966376702845, "aff_pf": 1.0824553966522217, "aff_hs": 1.843347708384196, "repeats_pf": {"runs": 3, "values": [1.1516, 1.1151, 0.9807], "mean": 1.0825, "spread": 0.1709}, "repeats_hs": {"runs": 3, "values": [1.8688, 1.8329, 1.8283], "mean": 1.8433, "spread": 0.0405}, "at": 1787163658}, "tier": 1, "relegate_reason": [], "submitted_at": 1787152549, "scored_at": 1787163658, "alerts": [], "rank": 6085}, {"candidate_id": "ODC-FA8F75", "res_at": 1786981395, "skeleton": "NIJVTLBXYSSZIQ", "hf_user": "polarbearsong", "display_name": "ODC-R1-01-cinnoline", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········2)cc1", "total": 5.026, "axes": {"activity": 2.73, "binding": 0.5, "selectivity": 0.0, "admet": 0.73, "novelty": 0.61, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.764, "fraction": 0.091}, "binding": {"pIC50": 4.5, "LE": 0.257, "potency_term": 0.029, "efficiency_cap": 0.857}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.534, "per_endpoint": {"solubility-aqsoldb": 0.256, "caco2-wang": 0.822, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.729, "cyp3a4-substrate-carbonmangels": 0.532, "ld50-zhu": 0.361, "herg": 0.736, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "2", "pAct_q10": 4.763945272857826, "aff_pf": 1.4950465361277263, "aff_hs": 0.7257142861684164, "repeats_pf": {"runs": 3, "values": [1.2902, 1.5464, 1.6486], "mean": 1.495, "spread": 0.3583}, "repeats_hs": {"runs": 3, "values": [0.7658, 0.7488, 0.6626], "mean": 0.7257, "spread": 0.1032}, "at": 1786981395}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979146, "scored_at": 1786981395, "alerts": [], "rank": 6086}, {"candidate_id": "ODC-4DB2D0", "res_at": 1787329154, "skeleton": "PTWSLZNWMRGMIZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········2)cn1", "total": 5.005, "axes": {"activity": 2.79, "binding": 0.45, "selectivity": 0.0, "admet": 0.75, "novelty": 0.55, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.571, "fraction": 0.093}, "binding": {"pIC50": 4.45, "LE": 0.265, "potency_term": 0.025, "efficiency_cap": 0.884}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.495, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.393, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.615, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.412, "novelty": 0.588}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.5713888471310815, "aff_pf": 1.5494516690572102, "aff_hs": 1.408912181854248, "repeats_pf": {"runs": 3, "values": [1.3654, 1.5647, 1.7183], "mean": 1.5495, "spread": 0.353}, "repeats_hs": {"runs": 3, "values": [1.393, 1.3806, 1.4531], "mean": 1.4089, "spread": 0.0725}, "at": 1787329154}, "tier": 1, "relegate_reason": [], "submitted_at": 1787328732, "scored_at": 1787329154, "alerts": [], "rank": 6087}, {"candidate_id": "ODC-C3BD93", "res_at": 1786904721, "skeleton": "WBFFZXRXVZKQMN", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(=O··········)cc21", "total": 5.002, "axes": {"activity": 2.53, "binding": 0.73, "selectivity": 0.0, "admet": 0.7, "novelty": 0.61, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.532, "fraction": 0.084}, "binding": {"pIC50": 5.11, "LE": 0.333, "potency_term": 0.037, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.037}, "admet": {"geometric_mean": 0.555, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.696, "cyp2c9-veith": 0.46, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.811, "herg": 0.595, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "3", "pAct_q10": 4.532335488712196, "aff_pf": 0.8901291290918986, "aff_hs": 0.5665069222450256, "repeats_pf": {"runs": 3, "values": [0.8938, 0.9657, 0.8109], "mean": 0.8901, "spread": 0.1548}, "repeats_hs": {"runs": 3, "values": [0.5782, 0.562, 0.5592], "mean": 0.5665, "spread": 0.019}, "at": 1786904721}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891975, "scored_at": 1786904721, "alerts": [], "rank": 6088}, {"candidate_id": "ODC-63D6DD", "res_at": 1786970800, "skeleton": "RTWLFIQQLHQACZ", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2n··········C2)n1", "total": 4.996, "axes": {"activity": 2.23, "binding": 1.27, "selectivity": 0.0, "admet": 0.73, "novelty": 0.42, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.734, "fraction": 0.074}, "binding": {"pIC50": 4.82, "LE": 0.314, "potency_term": 0.064, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.652, "per_endpoint": {"solubility-aqsoldb": 0.649, "caco2-wang": 0.975, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.435, "ld50-zhu": 0.372, "herg": 0.807, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "2", "pAct_q10": 4.734023914888703, "aff_pf": 1.1812717914581299, "aff_hs": 0.6614729166030884, "repeats_pf": {"runs": 3, "values": [1.2316, 1.2887, 1.0235], "mean": 1.1813, "spread": 0.2652}, "repeats_hs": {"runs": 3, "values": [0.7238, 0.6231, 0.6375], "mean": 0.6615, "spread": 0.1007}, "at": 1786970800}, "tier": 1, "relegate_reason": [], "submitted_at": 1786970007, "scored_at": 1786970800, "alerts": [], "rank": 6089}, {"candidate_id": "ODC-6CEB11", "res_at": 1788829245, "skeleton": "HMKDVUBFZAPQTI", "hf_user": "daehan1123", "display_name": "Hanguri-Claude-2", "model_name": "Anthropic Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(O)c··········c2)n1", "total": 4.981, "axes": {"activity": 2.22, "binding": 1.51, "selectivity": 0.0, "admet": 0.44, "novelty": 0.44, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.48, "fraction": 0.074}, "binding": {"pIC50": 4.94, "LE": 0.26, "potency_term": 0.087, "efficiency_cap": 0.868}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.389, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.748, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.701, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.544, "herg": 0.059, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "0", "pAct_q10": 4.47993628199377, "aff_pf": 1.0571600794792175, "aff_hs": 0.7510088483492533, "repeats_pf": {"runs": 3, "values": [0.9944, 0.992, 1.1851], "mean": 1.0572, "spread": 0.193}, "repeats_hs": {"runs": 3, "values": [0.7284, 0.7829, 0.7417], "mean": 0.751, "spread": 0.0545}, "at": 1788829245}, "tier": 1, "alerts": [], "total_sd": 0.66, "total_ci95": [3.489, 4.987], "relegate_reason": [], "submitted_at": 1788827713, "scored_at": 1788829245, "rank": 6090}, {"candidate_id": "ODC-3116D6", "res_at": 1788786487, "skeleton": "SHLOPSNCLFCXRQ", "hf_user": "Bio-JS", "display_name": "0907-S1-03", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cc1Cl", "total": 4.969, "axes": {"activity": 2.63, "binding": 0.81, "selectivity": 0.0, "admet": 0.59, "novelty": 0.51, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.547, "fraction": 0.088}, "binding": {"pIC50": 4.64, "LE": 0.303, "potency_term": 0.04, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.451, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.583, "cyp3a4-substrate-carbonmangels": 0.841, "ld50-zhu": 0.454, "herg": 0.516, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "0", "pAct_q10": 4.546738062320507, "aff_pf": 1.3621726830800374, "aff_hs": 0.8637307484944662, "repeats_pf": {"runs": 3, "values": [1.3435, 1.3965, 1.3465], "mean": 1.3622, "spread": 0.0531}, "repeats_hs": {"runs": 3, "values": [0.802, 0.882, 0.9071], "mean": 0.8637, "spread": 0.1051}, "at": 1788786487}, "tier": 1, "alerts": [], "total_sd": 0.028, "total_ci95": [4.903, 5.006], "relegate_reason": [], "submitted_at": 1788707657, "scored_at": 1788786487, "rank": 6091}, {"candidate_id": "ODC-30B1A3", "res_at": 1786931656, "skeleton": "PTWMCSBBRAGKGB", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········O3)o1", "total": 4.953, "axes": {"activity": 1.6, "binding": 1.63, "selectivity": 0.0, "admet": 0.76, "novelty": 0.62, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.349, "fraction": 0.053}, "binding": {"pIC50": 4.92, "LE": 0.337, "potency_term": 0.082, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.621, "per_endpoint": {"solubility-aqsoldb": 0.414, "caco2-wang": 0.948, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.469, "cyp3a4-substrate-carbonmangels": 0.364, "ld50-zhu": 0.777, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "2", "pAct_q10": 4.349313598710355, "aff_pf": 1.0806516011555989, "aff_hs": 0.7323883771896362, "repeats_pf": {"runs": 3, "values": [1.0624, 1.0595, 1.12], "mean": 1.0807, "spread": 0.0605}, "repeats_hs": {"runs": 3, "values": [0.7658, 0.6954, 0.736], "mean": 0.7324, "spread": 0.0705}, "at": 1786931656}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924906, "scored_at": 1786931656, "alerts": [], "rank": 6092}, {"candidate_id": "ODC-A4136B", "res_at": 1788510528, "skeleton": "JRSFFCIOAFCSJW", "hf_user": "dlghkdueo", "display_name": "R6-F2", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)c1Cl", "total": 4.953, "axes": {"activity": 1.61, "binding": 1.59, "selectivity": 0.34, "admet": 0.53, "novelty": 0.5, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.696, "fraction": 0.054}, "binding": {"pIC50": 5.24, "LE": 0.342, "potency_term": 0.079, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.216, "target_engagement": 0.079}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.243, "ld50-zhu": 0.305, "herg": 0.911, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 4.696339145205138, "aff_pf": 0.7621779441833496, "aff_hs": 1.1946734189987183, "repeats_pf": {"runs": 3, "values": [0.7346, 0.8321, 0.7198], "mean": 0.7622, "spread": 0.1123}, "repeats_hs": {"runs": 3, "values": [1.2248, 1.1932, 1.166], "mean": 1.1947, "spread": 0.0589}, "at": 1788510528}, "tier": 1, "alerts": [], "total_sd": 0.42, "total_ci95": [3.941, 5.579], "relegate_reason": [], "submitted_at": 1788448368, "scored_at": 1788510528, "rank": 6093}, {"candidate_id": "ODC-1B3067", "res_at": 1787212528, "skeleton": "UHSFGZLAQLRABC", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "GPT 5.6 sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nccc··········cnc12", "total": 4.94, "axes": {"activity": 2.99, "binding": 0.02, "selectivity": 0.0, "admet": 0.84, "novelty": 0.6, "synthesis": 0.5}, "detail": {"activity": {"pAct_q10": 4.779, "fraction": 0.1}, "binding": {"pIC50": 5.0, "LE": 0.312, "potency_term": 0.001, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.001}, "admet": {"geometric_mean": 0.562, "per_endpoint": {"solubility-aqsoldb": 0.395, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.72, "cyp3a4-substrate-carbonmangels": 0.539, "ld50-zhu": 0.39, "herg": 0.437, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.779210399885931, "aff_pf": 0.9972258806228638, "aff_hs": 0.7483232418696085, "repeats_pf": {"runs": 3, "values": [1.0068, 0.9933, 0.9916], "mean": 0.9972, "spread": 0.0152}, "repeats_hs": {"runs": 3, "values": [0.9207, 0.5063, 0.818], "mean": 0.7483, "spread": 0.4144}, "at": 1787212528}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212087, "scored_at": 1787212528, "alerts": [], "rank": 6094}, {"candidate_id": "ODC-CB2C26", "res_at": 1787414654, "skeleton": "NGYPVECNCBHYCY", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········cc2n1", "total": 4.933, "axes": {"activity": 2.65, "binding": 0.41, "selectivity": 0.0, "admet": 0.86, "novelty": 0.58, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.55, "fraction": 0.088}, "binding": {"pIC50": 5.06, "LE": 0.315, "potency_term": 0.02, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.02}, "admet": {"geometric_mean": 0.647, "per_endpoint": {"solubility-aqsoldb": 0.524, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.662, "cyp3a4-substrate-carbonmangels": 0.901, "ld50-zhu": 0.692, "herg": 0.511, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.43}}, "run": {"gpu": "3", "pAct_q10": 4.550331358655378, "aff_pf": 0.9389779965082804, "aff_hs": 0.7057366172472636, "repeats_pf": {"runs": 3, "values": [0.5412, 1.0395, 1.2363], "mean": 0.939, "spread": 0.6951}, "repeats_hs": {"runs": 3, "values": [0.9057, 0.5971, 0.6144], "mean": 0.7057, "spread": 0.3085}, "at": 1787414654}, "tier": 1, "relegate_reason": [], "submitted_at": 1787409831, "scored_at": 1787414654, "alerts": [], "rank": 6095}, {"candidate_id": "ODC-189553", "res_at": 1787944426, "skeleton": "AFLXSPZBULESNL", "hf_user": "dlghkdueo", "display_name": "SOMANG-E1", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········(N)=O", "total": 4.921, "axes": {"activity": 2.88, "binding": 0.17, "selectivity": 0.0, "admet": 0.8, "novelty": 0.59, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.584, "fraction": 0.096}, "binding": {"pIC50": 5.03, "LE": 0.344, "potency_term": 0.008, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.008}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.405, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "3", "pAct_q10": 4.584152721397475, "aff_pf": 0.974779486656189, "aff_hs": 0.9288228750228882, "repeats_pf": {"runs": 3, "values": [1.0202, 0.9638, 0.9403], "mean": 0.9748, "spread": 0.0798}, "repeats_hs": {"runs": 3, "values": [0.9483, 0.8115, 1.0268], "mean": 0.9288, "spread": 0.2153}, "at": 1787944426}, "tier": 1, "relegate_reason": [], "submitted_at": 1787937048, "scored_at": 1787944426, "alerts": [], "rank": 6096}, {"candidate_id": "ODC-348E52", "res_at": 1787071917, "skeleton": "JTNWKGGJCKDAAX", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "OCc1cn2··········cc2n1", "total": 4.919, "axes": {"activity": 1.57, "binding": 1.59, "selectivity": 0.0, "admet": 0.79, "novelty": 0.58, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.694, "fraction": 0.052}, "binding": {"pIC50": 4.91, "LE": 0.306, "potency_term": 0.08, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.017, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.66, "per_endpoint": {"solubility-aqsoldb": 0.698, "caco2-wang": 0.68, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.344, "ld50-zhu": 0.202, "herg": 0.85, "dili": 0.72}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.69422245630277, "aff_pf": 1.0906585653622944, "aff_hs": 1.1247419913609822, "repeats_pf": {"runs": 3, "values": [1.3195, 1.1338, 0.8187], "mean": 1.0907, "spread": 0.5009}, "repeats_hs": {"runs": 3, "values": [1.2681, 1.0452, 1.0609], "mean": 1.1247, "spread": 0.2229}, "at": 1787071917}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065993, "scored_at": 1787071917, "alerts": [], "rank": 6097}, {"candidate_id": "ODC-67E123", "res_at": 1787191452, "skeleton": "IDRAIGXFXWVDBE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COC(=O)··········)C)C1", "total": 4.913, "axes": {"activity": 2.7, "binding": 0.33, "selectivity": 0.0, "admet": 0.93, "novelty": 0.65, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.558, "fraction": 0.09}, "binding": {"pIC50": 5.05, "LE": 0.314, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.017}, "admet": {"geometric_mean": 0.689, "per_endpoint": {"solubility-aqsoldb": 0.712, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.87, "cyp3a4-substrate-carbonmangels": 0.291, "ld50-zhu": 0.761, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 4.558010912630329, "aff_pf": 0.9504992961883545, "aff_hs": 0.9349141518274943, "repeats_pf": {"runs": 3, "values": [0.9662, 1.0065, 0.8788], "mean": 0.9505, "spread": 0.1277}, "repeats_hs": {"runs": 3, "values": [1.0529, 1.0331, 0.7187], "mean": 0.9349, "spread": 0.3343}, "at": 1787191452}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188745, "scored_at": 1787191452, "alerts": [], "rank": 6098}, {"candidate_id": "ODC-97E0D2", "res_at": 1788509672, "skeleton": "ZKSWCSKXAGRVIZ", "hf_user": "dlghkdueo", "display_name": "R6-F3", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)c1Cl", "total": 4.913, "axes": {"activity": 1.8, "binding": 1.6, "selectivity": 0.0, "admet": 0.56, "novelty": 0.55, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.708, "fraction": 0.06}, "binding": {"pIC50": 4.91, "LE": 0.32, "potency_term": 0.08, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.211, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.859, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.052, "cyp3a4-substrate-carbonmangels": 0.384, "ld50-zhu": 0.366, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 4.708054838883101, "aff_pf": 1.0889078378677368, "aff_hs": 1.511506199836731, "repeats_pf": {"runs": 3, "values": [0.9662, 1.1689, 1.1316], "mean": 1.0889, "spread": 0.2026}, "repeats_hs": {"runs": 3, "values": [1.4559, 1.536, 1.5426], "mean": 1.5115, "spread": 0.0868}, "at": 1788509672}, "tier": 1, "alerts": [], "total_sd": 0.495, "total_ci95": [3.223, 5.485], "relegate_reason": [], "submitted_at": 1788448406, "scored_at": 1788509672, "rank": 6099}, {"candidate_id": "ODC-5CBB0B", "res_at": 1788893397, "skeleton": "PMLFTIYLLGAWPH", "hf_user": "trblnfxn", "display_name": "DZB-Cl", "model_name": "DZB-v1-docking", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 4.909, "axes": {"activity": 2.64, "binding": 0.59, "selectivity": 0.0, "admet": 0.73, "novelty": 0.56, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.759, "fraction": 0.088}, "binding": {"pIC50": 4.57, "LE": 0.261, "potency_term": 0.034, "efficiency_cap": 0.87}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.411, "herg": 0.941, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 4.758618233141091, "aff_pf": 1.4298092524210613, "aff_hs": 0.9035538832346598, "repeats_pf": {"runs": 3, "values": [1.4995, 1.3873, 1.4026], "mean": 1.4298, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [0.8474, 0.9124, 0.9508], "mean": 0.9036, "spread": 0.1034}, "at": 1788893397}, "tier": 1, "alerts": [], "total_sd": 0.046, "total_ci95": [4.807, 4.982], "relegate_reason": [], "submitted_at": 1788889068, "scored_at": 1788893397, "rank": 6100}, {"candidate_id": "ODC-92BBEA", "res_at": 1786826631, "skeleton": "JXVIRWCYEYEMNP", "hf_user": "zero-stone", "display_name": "ZERO", "model_name": "gemini", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········(F)c1", "total": 4.906, "axes": {"activity": 2.33, "binding": 0.73, "selectivity": 0.28, "admet": 0.62, "novelty": 0.59, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.498, "fraction": 0.078}, "binding": {"pIC50": 5.11, "LE": 0.368, "potency_term": 0.037, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.382, "target_engagement": 0.037}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.476, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.512, "cyp3a4-substrate-carbonmangels": 0.166, "ld50-zhu": 0.276, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 4.4980828072580294, "aff_pf": 0.8901510834693909, "aff_hs": 1.6544878085454304, "repeats_pf": {"runs": 3, "values": [0.9794, 0.8129, 0.8782], "mean": 0.8902, "spread": 0.1665}, "repeats_hs": {"runs": 3, "values": [1.6786, 1.6813, 1.6035], "mean": 1.6545, "spread": 0.0778}, "at": 1786826631}, "tier": 1, "relegate_reason": [], "submitted_at": 1786791434, "scored_at": 1786826631, "alerts": [], "rank": 6101}, {"candidate_id": "ODC-F94363", "res_at": 1787394424, "skeleton": "ZQAHBAYXAKTEIF", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "S1-A", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 4.88, "axes": {"activity": 2.32, "binding": 0.9, "selectivity": 0.09, "admet": 0.72, "novelty": 0.47, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.497, "fraction": 0.077}, "binding": {"pIC50": 5.14, "LE": 0.37, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.5, "selectivity_term": 0.095, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.623, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 0.936, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.618, "cyp3a4-substrate-carbonmangels": 0.69, "ld50-zhu": 0.361, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 4.496764904730752, "aff_pf": 0.8649642864863077, "aff_hs": 1.0543248256047566, "repeats_pf": {"runs": 3, "values": [0.8594, 0.9303, 0.8052], "mean": 0.865, "spread": 0.1251}, "repeats_hs": {"runs": 3, "values": [1.1151, 1.0142, 1.0337], "mean": 1.0543, "spread": 0.1009}, "at": 1787394424}, "tier": 1, "relegate_reason": [], "submitted_at": 1787393929, "scored_at": 1787394424, "alerts": [], "rank": 6102}, {"candidate_id": "ODC-7EF3E1", "res_at": 1787871713, "skeleton": "IPCZPDXZWLYVGO", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — QA recursive overtake [FB1-QACY02]", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········(F)c1", "total": 4.859, "axes": {"activity": 2.43, "binding": 1.08, "selectivity": 0.0, "admet": 0.48, "novelty": 0.47, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.746, "fraction": 0.081}, "binding": {"pIC50": 5.17, "LE": 0.283, "potency_term": 0.057, "efficiency_cap": 0.945}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.057}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.496, "ld50-zhu": 0.37, "herg": 0.05, "dili": 0.475}}, "novelty": {"max_tanimoto": 0.419, "novelty": 0.581}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "0", "pAct_q10": 4.7457675075868115, "aff_pf": 0.8290753761927286, "aff_hs": 0.38059032956759137, "repeats_pf": {"runs": 3, "values": [0.7634, 0.6886, 1.0352], "mean": 0.8291, "spread": 0.3466}, "repeats_hs": {"runs": 3, "values": [0.4306, 0.3573, 0.3539], "mean": 0.3806, "spread": 0.0767}, "at": 1787852092}, "tier": 1, "relegate_reason": [], "submitted_at": 1787796063, "scored_at": 1787852092, "alerts": [], "rank": 6103}, {"candidate_id": "ODC-3E5817", "res_at": 1789319129, "skeleton": "QWZQRRFQPSYOKA", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········ccnc1", "total": 4.859, "axes": {"activity": 2.52, "binding": 0.72, "selectivity": 0.0, "admet": 0.69, "novelty": 0.51, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.53, "fraction": 0.084}, "binding": {"pIC50": 4.59, "LE": 0.331, "potency_term": 0.036, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.545, "per_endpoint": {"solubility-aqsoldb": 0.441, "caco2-wang": 0.988, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.435, "cyp3a4-substrate-carbonmangels": 0.239, "ld50-zhu": 0.337, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 1.79}}, "run": {"gpu": "0", "pAct_q10": 4.530279013506117, "aff_pf": 1.407167911529541, "aff_hs": 1.1433631579081218, "repeats_pf": {"runs": 3, "values": [1.3981, 1.4321, 1.3913], "mean": 1.4072, "spread": 0.0408}, "repeats_hs": {"runs": 3, "values": [1.1473, 1.0814, 1.2014], "mean": 1.1434, "spread": 0.12}, "at": 1789319129}, "tier": 1, "alerts": [], "total_sd": 0.019, "total_ci95": [4.815, 4.888], "relegate_reason": [], "submitted_at": 1789317587, "scored_at": 1789319129, "rank": 6104}, {"candidate_id": "ODC-638A6A", "res_at": 1787553300, "skeleton": "UIKPKPCRZRUBEX", "hf_user": "filex815", "display_name": "filex815", "model_name": "Ox-alpha", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 4.843, "axes": {"activity": 2.47, "binding": 0.68, "selectivity": 0.0, "admet": 0.76, "novelty": 0.51, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.748, "fraction": 0.082}, "binding": {"pIC50": 4.57, "LE": 0.313, "potency_term": 0.034, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.617, "per_endpoint": {"solubility-aqsoldb": 0.631, "caco2-wang": 0.961, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.706, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.235, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 4.748441592528179, "aff_pf": 1.4300525188446045, "aff_hs": 1.3838142156600952, "repeats_pf": {"runs": 3, "values": [1.415, 1.4609, 1.4143], "mean": 1.4301, "spread": 0.0466}, "repeats_hs": {"runs": 3, "values": [1.4589, 1.3403, 1.3522], "mean": 1.3838, "spread": 0.1186}, "at": 1787553300}, "tier": 1, "relegate_reason": [], "submitted_at": 1787536118, "scored_at": 1787553300, "alerts": [], "rank": 6105}, {"candidate_id": "ODC-8D2FE8", "res_at": 1786978297, "skeleton": "LTHNBXBANJKKMB", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(CCC··········cc2c1", "total": 4.843, "axes": {"activity": 2.83, "binding": 0.25, "selectivity": 0.0, "admet": 0.76, "novelty": 0.59, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.77, "fraction": 0.094}, "binding": {"pIC50": 4.34, "LE": 0.198, "potency_term": 0.019, "efficiency_cap": 0.661}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.535, "per_endpoint": {"solubility-aqsoldb": 0.589, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.914, "cyp3a4-substrate-carbonmangels": 0.306, "ld50-zhu": 0.715, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 4.769811193217635, "aff_pf": 1.6592945257822673, "aff_hs": 1.1200729211171467, "repeats_pf": {"runs": 3, "values": [1.7209, 1.6813, 1.5757], "mean": 1.6593, "spread": 0.1452}, "repeats_hs": {"runs": 3, "values": [1.1071, 1.0236, 1.2295], "mean": 1.1201, "spread": 0.2058}, "at": 1786978297}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976438, "scored_at": 1786978297, "alerts": [], "rank": 6106}, {"candidate_id": "ODC-59DC6D", "res_at": 1789907850, "skeleton": "DJOXHAAWIHFKFN", "hf_user": "SiNet210", "display_name": "Mrazzerhood", "model_name": "Qwen3.8-based 3.5b/w quant test", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········c2)c1", "total": 4.822, "axes": {"activity": 3.09, "binding": 0.09, "selectivity": 0.0, "admet": 0.56, "novelty": 0.56, "synthesis": 0.52}, "detail": {"activity": {"pAct_q10": 4.786, "fraction": 0.103}, "binding": {"pIC50": 5.01, "LE": 0.299, "potency_term": 0.004, "efficiency_cap": 0.995}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.004}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.945, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.436, "ld50-zhu": 0.337, "herg": 0.964, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.457, "novelty": 0.543}, "synthesis": {"sa_score": 1.73}}, "run": {"gpu": "2", "pAct_q10": 4.785638990529106, "aff_pf": 0.9867151578267416, "aff_hs": 0.5379034876823425, "repeats_pf": {"runs": 3, "values": [0.9146, 1.0172, 1.0283], "mean": 0.9867, "spread": 0.1137}, "repeats_hs": {"runs": 3, "values": [0.6234, 0.5214, 0.469], "mean": 0.5379, "spread": 0.1544}, "at": 1789907850}, "tier": 1, "alerts": [], "total_sd": 0.748, "total_ci95": [4.798, 6.629], "relegate_reason": [], "submitted_at": 1789792670, "scored_at": 1789907850, "rank": 6107}, {"candidate_id": "ODC-0ADA67", "res_at": 1787573881, "skeleton": "YJKLENNMUVSZBR", "hf_user": "Moonweave", "display_name": "M5AI-SH-S4", "model_name": "OpenAI Codex — scaffold-hop diagnostic", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)cc1", "total": 4.818, "axes": {"activity": 2.75, "binding": 0.03, "selectivity": 0.0, "admet": 1.05, "novelty": 0.52, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.566, "fraction": 0.092}, "binding": {"pIC50": 3.38, "LE": 0.272, "potency_term": 0.002, "efficiency_cap": 0.908}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.764, "per_endpoint": {"solubility-aqsoldb": 0.846, "caco2-wang": 0.897, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.923, "ld50-zhu": 0.374, "herg": 1.0, "dili": 0.237}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 1.98}}, "run": {"gpu": "3", "pAct_q10": 4.56575512705509, "aff_pf": 2.61958901087443, "aff_hs": 2.1906850337982178, "repeats_pf": {"runs": 3, "values": [2.5573, 2.65, 2.6515], "mean": 2.6196, "spread": 0.0942}, "repeats_hs": {"runs": 3, "values": [2.1124, 2.2119, 2.2477], "mean": 2.1907, "spread": 0.1353}, "at": 1787573881}, "tier": 1, "relegate_reason": [], "submitted_at": 1787573169, "scored_at": 1787573881, "alerts": [], "rank": 6108}, {"candidate_id": "ODC-310D8C", "res_at": 1786837780, "skeleton": "ONRJVUMLJLJFLW", "hf_user": "scala39", "display_name": "Scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2c1=O", "total": 4.814, "axes": {"activity": 2.77, "binding": 0.4, "selectivity": 0.0, "admet": 0.81, "novelty": 0.42, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.568, "fraction": 0.092}, "binding": {"pIC50": 4.4, "LE": 0.274, "potency_term": 0.022, "efficiency_cap": 0.913}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.451, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.547, "novelty": 0.453}, "synthesis": {"sa_score": 2.88}}, "run": {"gpu": "1", "pAct_q10": 4.567709606326753, "aff_pf": 1.60250985622406, "aff_hs": 1.3354412317276, "repeats_pf": {"runs": 3, "values": [1.7875, 1.5385, 1.4816], "mean": 1.6025, "spread": 0.3059}, "repeats_hs": {"runs": 3, "values": [1.3263, 1.3527, 1.3273], "mean": 1.3354, "spread": 0.0265}, "at": 1786837780}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804692, "scored_at": 1786837780, "alerts": [], "rank": 6109}, {"candidate_id": "ODC-86D1C6", "res_at": 1787913019, "skeleton": "TVRYSGQDBWVQTB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········cnc12", "total": 4.807, "axes": {"activity": 2.67, "binding": 0.25, "selectivity": 0.0, "admet": 0.86, "novelty": 0.61, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.553, "fraction": 0.089}, "binding": {"pIC50": 4.19, "LE": 0.287, "potency_term": 0.013, "efficiency_cap": 0.956}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.564, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.896, "cyp3a4-substrate-carbonmangels": 0.416, "ld50-zhu": 0.511, "herg": 0.988, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.315, "novelty": 0.685}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.553468871607316, "aff_pf": 1.8136690060297649, "aff_hs": 1.2195243040720622, "repeats_pf": {"runs": 3, "values": [1.7576, 1.8609, 1.8225], "mean": 1.8137, "spread": 0.1033}, "repeats_hs": {"runs": 3, "values": [1.1459, 1.3197, 1.193], "mean": 1.2195, "spread": 0.1737}, "at": 1787913019}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898857, "scored_at": 1787913019, "alerts": [], "rank": 6110}, {"candidate_id": "ODC-532E34", "res_at": 1786844536, "skeleton": "MXGITPSIQXVDNI", "hf_user": "1Dmeds", "display_name": "ODC26-SE-02", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········O)nn1", "total": 4.803, "axes": {"activity": 1.66, "binding": 1.67, "selectivity": 0.0, "admet": 0.59, "novelty": 0.48, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.364, "fraction": 0.055}, "binding": {"pIC50": 4.97, "LE": 0.272, "potency_term": 0.092, "efficiency_cap": 0.907}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.467, "per_endpoint": {"solubility-aqsoldb": 0.523, "caco2-wang": 0.767, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 0.262, "herg": 0.349, "dili": 0.166}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "2", "pAct_q10": 4.363608784072404, "aff_pf": 1.033286948998769, "aff_hs": 0.991893450419108, "repeats_pf": {"runs": 3, "values": [0.9332, 1.0588, 1.1079], "mean": 1.0333, "spread": 0.1747}, "repeats_hs": {"runs": 3, "values": [1.1624, 0.7339, 1.0793], "mean": 0.9919, "spread": 0.4285}, "at": 1786844536}, "tier": 1, "relegate_reason": [], "submitted_at": 1786832736, "scored_at": 1786844536, "alerts": [], "rank": 6111}, {"candidate_id": "ODC-450308", "res_at": 1786960222, "skeleton": "BJNPCUAWVKGTGA", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 4.793, "axes": {"activity": 2.61, "binding": 0.33, "selectivity": 0.0, "admet": 0.88, "novelty": 0.53, "synthesis": 0.43}, "detail": {"activity": {"pAct_q10": 4.545, "fraction": 0.087}, "binding": {"pIC50": 4.31, "LE": 0.281, "potency_term": 0.018, "efficiency_cap": 0.937}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.675, "per_endpoint": {"solubility-aqsoldb": 0.631, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.642, "herg": 0.561, "dili": 0.599}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "2", "pAct_q10": 4.544671581013461, "aff_pf": 1.6899383068084717, "aff_hs": 1.5801153580347698, "repeats_pf": {"runs": 3, "values": [1.629, 1.7331, 1.7077], "mean": 1.6899, "spread": 0.104}, "repeats_hs": {"runs": 3, "values": [1.6709, 1.7151, 1.3543], "mean": 1.5801, "spread": 0.3608}, "at": 1786960222}, "tier": 1, "relegate_reason": [], "submitted_at": 1786959755, "scored_at": 1786960222, "alerts": [], "rank": 6112}, {"candidate_id": "ODC-45AF8A", "res_at": 1787077068, "skeleton": "ALAIHAICGRSJFW", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)cc1", "total": 4.786, "axes": {"activity": 2.31, "binding": 0.85, "selectivity": 0.0, "admet": 0.76, "novelty": 0.48, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.739, "fraction": 0.077}, "binding": {"pIC50": 4.7, "LE": 0.268, "potency_term": 0.047, "efficiency_cap": 0.895}, "selectivity": {"fold": 3.4, "selectivity_term": 0.264, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.662, "per_endpoint": {"solubility-aqsoldb": 0.778, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.699, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.472, "herg": 0.05, "dili": 0.787}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 4.73853708512246, "aff_pf": 1.2979113260904949, "aff_hs": 1.8255787293116252, "repeats_pf": {"runs": 3, "values": [1.2621, 1.3046, 1.327], "mean": 1.2979, "spread": 0.0649}, "repeats_hs": {"runs": 3, "values": [1.7274, 1.8744, 1.875], "mean": 1.8256, "spread": 0.1476}, "at": 1787077068}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066284, "scored_at": 1787077068, "alerts": [], "rank": 6113}, {"candidate_id": "ODC-36C032", "res_at": 1786981351, "skeleton": "JHOPKIBRUOOZOV", "hf_user": "polarbearsong", "display_name": "ODC-R1-05-thiazolopyridine", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········2)cc1", "total": 4.776, "axes": {"activity": 2.64, "binding": 0.43, "selectivity": 0.0, "admet": 0.68, "novelty": 0.59, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.758, "fraction": 0.088}, "binding": {"pIC50": 4.45, "LE": 0.254, "potency_term": 0.026, "efficiency_cap": 0.848}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.518, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.948, "ld50-zhu": 0.316, "herg": 0.566, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.758103515696198, "aff_pf": 1.5455176830291748, "aff_hs": 1.5281022787094116, "repeats_pf": {"runs": 3, "values": [1.4568, 1.5145, 1.6653], "mean": 1.5455, "spread": 0.2085}, "repeats_hs": {"runs": 3, "values": [1.4119, 1.599, 1.5734], "mean": 1.5281, "spread": 0.1872}, "at": 1786981351}, "tier": 1, "relegate_reason": [], "submitted_at": 1786979219, "scored_at": 1786981351, "alerts": [], "rank": 6114}, {"candidate_id": "ODC-DA94DC", "res_at": 1788071677, "skeleton": "SSYQVSQWNVSXPI", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········s2)c1", "total": 4.772, "axes": {"activity": 0.95, "binding": 1.83, "selectivity": 0.48, "admet": 0.54, "novelty": 0.53, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.657, "fraction": 0.032}, "binding": {"pIC50": 5.27, "LE": 0.361, "potency_term": 0.091, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.722, "ld50-zhu": 0.05, "herg": 0.813, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 1.87}}, "run": {"gpu": "3", "pAct_q10": 4.656714698300027, "aff_pf": 0.7261870304743449, "aff_hs": 1.2517136335372925, "repeats_pf": {"runs": 3, "values": [0.7398, 0.6425, 0.7962], "mean": 0.7262, "spread": 0.1538}, "repeats_hs": {"runs": 3, "values": [1.1346, 1.3591, 1.2614], "mean": 1.2517, "spread": 0.2245}, "at": 1788071677}, "tier": 1, "alerts": [], "total_sd": 0.511, "total_ci95": [3.768, 5.624], "relegate_reason": [], "submitted_at": 1788028759, "scored_at": 1788071677, "rank": 6115}, {"candidate_id": "ODC-4DA95B", "res_at": 1787901764, "skeleton": "RGQZVMSCPZUPBI", "hf_user": "Bio-JS", "display_name": "코어교체: 피라졸로[1,5-a][1,3,5]트라이아진", "model_name": "anthropic/claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)n2n1", "total": 4.771, "axes": {"activity": 2.03, "binding": 1.49, "selectivity": 0.0, "admet": 0.56, "novelty": 0.33, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.722, "fraction": 0.068}, "binding": {"pIC50": 4.88, "LE": 0.304, "potency_term": 0.074, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.8, "selectivity_term": 0.446, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.499, "per_endpoint": {"solubility-aqsoldb": 0.3, "caco2-wang": 0.871, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.968, "cyp3a4-substrate-carbonmangels": 0.561, "ld50-zhu": 0.293, "herg": 0.186, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.554, "novelty": 0.446}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.721557789176625, "aff_pf": 1.118851621945699, "aff_hs": 2.010192592938741, "repeats_pf": {"runs": 3, "values": [0.876, 1.183, 1.2976], "mean": 1.1189, "spread": 0.4216}, "repeats_hs": {"runs": 3, "values": [1.947, 1.982, 2.1015], "mean": 2.0102, "spread": 0.1545}, "at": 1787901764}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889435, "scored_at": 1787901764, "alerts": [], "rank": 6116}, {"candidate_id": "ODC-47A0AF", "res_at": 1787164227, "skeleton": "LMEMDGRRZQBXRE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W6-R1", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(O)c··········2)cc1", "total": 4.762, "axes": {"activity": 2.75, "binding": 0.04, "selectivity": 0.0, "admet": 1.05, "novelty": 0.46, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.566, "fraction": 0.092}, "binding": {"pIC50": 3.55, "LE": 0.221, "potency_term": 0.003, "efficiency_cap": 0.737}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.763, "per_endpoint": {"solubility-aqsoldb": 0.925, "caco2-wang": 0.759, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.437, "herg": 0.183, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.82}}, "run": {"gpu": "3", "pAct_q10": 4.565827507720501, "aff_pf": 2.4492443402608237, "aff_hs": 2.1787896951039634, "repeats_pf": {"runs": 3, "values": [2.5445, 2.3968, 2.4064], "mean": 2.4492, "spread": 0.1477}, "repeats_hs": {"runs": 3, "values": [2.2003, 2.1934, 2.1427], "mean": 2.1788, "spread": 0.0577}, "at": 1787164227}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156051, "scored_at": 1787164227, "alerts": [], "rank": 6117}, {"candidate_id": "ODC-CB3020", "res_at": 1787358191, "skeleton": "MEMYBKKSCDCOGT", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "250-300", "visibility": "public", "smiles": "CCCCCNC(=O)c1ccc(-c2ccccc2)cc1", "smiles_masked": null, "total": 4.762, "axes": {"activity": 2.88, "binding": 0.1, "selectivity": 0.0, "admet": 0.9, "novelty": 0.4, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.773, "fraction": 0.096}, "binding": {"pIC50": 3.85, "LE": 0.264, "potency_term": 0.006, "efficiency_cap": 0.88}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.624, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.993, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.574, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.167, "herg": 0.283, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.583, "novelty": 0.417}, "synthesis": {"sa_score": 1.41}}, "run": {"gpu": "3", "pAct_q10": 4.772898053956279, "aff_pf": 2.1464540163675943, "aff_hs": 1.2687660853068035, "repeats_pf": {"runs": 3, "values": [2.1062, 2.2176, 2.1156], "mean": 2.1465, "spread": 0.1114}, "repeats_hs": {"runs": 3, "values": [1.2993, 1.3847, 1.1223], "mean": 1.2688, "spread": 0.2624}, "at": 1787358191}, "tier": 1, "relegate_reason": [], "submitted_at": 1787354985, "scored_at": 1787358191, "alerts": [], "rank": 6118}, {"candidate_id": "ODC-87BF89", "res_at": 1786969893, "skeleton": "XBIKXUKVMFGSTG", "hf_user": "lasbagas", "display_name": "tonado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSCCNC(··········)CCC1", "total": 4.756, "axes": {"activity": 1.73, "binding": 1.5, "selectivity": 0.0, "admet": 0.65, "novelty": 0.53, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.704, "fraction": 0.058}, "binding": {"pIC50": 4.9, "LE": 0.292, "potency_term": 0.077, "efficiency_cap": 0.972}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.701, "caco2-wang": 0.976, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.848, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.527, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "2", "pAct_q10": 4.703612085252637, "aff_pf": 1.1025880575180054, "aff_hs": 1.1231454610824585, "repeats_pf": {"runs": 3, "values": [1.179, 0.7381, 1.3906], "mean": 1.1026, "spread": 0.6525}, "repeats_hs": {"runs": 3, "values": [1.1087, 1.1027, 1.158], "mean": 1.1231, "spread": 0.0553}, "at": 1786969893}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968649, "scored_at": 1786969893, "alerts": [], "rank": 6119}, {"candidate_id": "ODC-6B9ED5", "res_at": 1786978662, "skeleton": "JDBCDDTVAUDUIA", "hf_user": "kiwoong7548", "display_name": "howtowin", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(COC··········2)CC1", "total": 4.754, "axes": {"activity": 2.39, "binding": 0.67, "selectivity": 0.0, "admet": 0.82, "novelty": 0.47, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.509, "fraction": 0.08}, "binding": {"pIC50": 4.64, "LE": 0.245, "potency_term": 0.041, "efficiency_cap": 0.816}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.687, "per_endpoint": {"solubility-aqsoldb": 0.77, "caco2-wang": 0.903, "hia-hou": 1.0, "bioavailability-ma": 0.514, "pgp-broccatelli": 0.999, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.749, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "3", "pAct_q10": 4.509394325815492, "aff_pf": 1.356743613878886, "aff_hs": 1.2842979828516643, "repeats_pf": {"runs": 3, "values": [1.3821, 1.1567, 1.5314], "mean": 1.3567, "spread": 0.3746}, "repeats_hs": {"runs": 3, "values": [1.3431, 1.1691, 1.3407], "mean": 1.2843, "spread": 0.174}, "at": 1786978662}, "tier": 1, "relegate_reason": [], "submitted_at": 1786976602, "scored_at": 1786978662, "alerts": [], "rank": 6120}, {"candidate_id": "ODC-315F9C", "res_at": 1787291333, "skeleton": "HKDADMROGYCZMK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········C2)o1", "total": 4.751, "axes": {"activity": 2.37, "binding": 0.71, "selectivity": 0.0, "admet": 0.71, "novelty": 0.61, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.742, "fraction": 0.079}, "binding": {"pIC50": 4.59, "LE": 0.314, "potency_term": 0.036, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.038, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.549, "caco2-wang": 0.798, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.893, "cyp3a4-substrate-carbonmangels": 0.309, "ld50-zhu": 0.431, "herg": 0.054, "dili": 0.926}}, "novelty": {"max_tanimoto": 0.224, "novelty": 0.776}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "3", "pAct_q10": 4.742239445646274, "aff_pf": 1.4130137761433919, "aff_hs": 1.4896666606267293, "repeats_pf": {"runs": 3, "values": [1.5217, 1.3938, 1.3235], "mean": 1.413, "spread": 0.1982}, "repeats_hs": {"runs": 3, "values": [1.4609, 1.5709, 1.4372], "mean": 1.4897, "spread": 0.1337}, "at": 1787291333}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290751, "scored_at": 1787291333, "alerts": [], "rank": 6121}, {"candidate_id": "ODC-95ACA3", "res_at": 1786931439, "skeleton": "OIYNRJHWVLRJNG", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········O3)n1", "total": 4.749, "axes": {"activity": 1.73, "binding": 1.47, "selectivity": 0.0, "admet": 0.71, "novelty": 0.57, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.704, "fraction": 0.058}, "binding": {"pIC50": 4.88, "LE": 0.334, "potency_term": 0.073, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.646, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.885, "ld50-zhu": 0.775, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.218, "novelty": 0.782}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 4.703734275684473, "aff_pf": 1.1241965691248577, "aff_hs": 0.8599558273951212, "repeats_pf": {"runs": 3, "values": [1.0938, 1.0614, 1.2174], "mean": 1.1242, "spread": 0.156}, "repeats_hs": {"runs": 3, "values": [0.9095, 0.8841, 0.7863], "mean": 0.86, "spread": 0.1232}, "at": 1786931439}, "tier": 1, "relegate_reason": [], "submitted_at": 1786925040, "scored_at": 1786931439, "alerts": [], "rank": 6122}, {"candidate_id": "ODC-DD1903", "res_at": 1786866276, "skeleton": "FEQRGAADVVJZIR", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1OCc··········)cc21", "total": 4.729, "axes": {"activity": 2.04, "binding": 1.28, "selectivity": 0.0, "admet": 0.6, "novelty": 0.51, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.722, "fraction": 0.068}, "binding": {"pIC50": 5.19, "LE": 0.356, "potency_term": 0.064, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.064}, "admet": {"geometric_mean": 0.59, "per_endpoint": {"solubility-aqsoldb": 0.491, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.698, "ld50-zhu": 0.317, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "2", "pAct_q10": 4.7223944073697695, "aff_pf": 0.8076354463895162, "aff_hs": -0.3327692250410716, "repeats_pf": {"runs": 3, "values": [0.7879, 0.7641, 0.8709], "mean": 0.8076, "spread": 0.1069}, "repeats_hs": {"runs": 3, "values": [-0.3391, -0.3498, -0.3094], "mean": -0.3328, "spread": 0.0404}, "at": 1786866276}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857168, "scored_at": 1786866276, "alerts": [], "rank": 6123}, {"candidate_id": "ODC-4A4DA3", "res_at": 1787059127, "skeleton": "FNNOSGVOZSGLTE", "hf_user": "tcjhhj", "display_name": "tcjhhj", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········C1CC1", "total": 4.72, "axes": {"activity": 1.56, "binding": 1.51, "selectivity": 0.0, "admet": 0.95, "novelty": 0.55, "synthesis": 0.15}, "detail": {"activity": {"pAct_q10": 4.339, "fraction": 0.052}, "binding": {"pIC50": 4.89, "LE": 0.319, "potency_term": 0.076, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.834, "per_endpoint": {"solubility-aqsoldb": 0.714, "caco2-wang": 0.909, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.905, "ld50-zhu": 0.587, "herg": 0.708, "dili": 0.703}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 4.6}}, "run": {"gpu": "3", "pAct_q10": 4.339499453930673, "aff_pf": 1.1116935014724731, "aff_hs": 0.44027914603551227, "repeats_pf": {"runs": 3, "values": [1.0607, 1.1368, 1.1376], "mean": 1.1117, "spread": 0.0768}, "repeats_hs": {"runs": 3, "values": [0.4627, 0.4544, 0.4038], "mean": 0.4403, "spread": 0.0588}, "at": 1787059127}, "tier": 1, "relegate_reason": [], "submitted_at": 1787057848, "scored_at": 1787059127, "alerts": [], "rank": 6124}, {"candidate_id": "ODC-8CB7BA", "res_at": 1788462001, "skeleton": "AEKRAIGQUFARMX", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 4.697, "axes": {"activity": 2.75, "binding": 0.47, "selectivity": 0.0, "admet": 0.49, "novelty": 0.63, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.765, "fraction": 0.092}, "binding": {"pIC50": 4.63, "LE": 0.176, "potency_term": 0.04, "efficiency_cap": 0.587}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.356, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.404, "ld50-zhu": 0.555, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 4.765157093833233, "aff_pf": 1.3691325585047405, "aff_hs": 1.3396180073420207, "repeats_pf": {"runs": 3, "values": [0.9638, 1.8281, 1.3155], "mean": 1.3691, "spread": 0.8642}, "repeats_hs": {"runs": 3, "values": [1.1518, 1.2418, 1.6253], "mean": 1.3396, "spread": 0.4735}, "at": 1788462001}, "tier": 1, "alerts": [], "total_sd": 0.235, "total_ci95": [4.364, 5.25], "relegate_reason": [], "submitted_at": 1788394245, "scored_at": 1788462001, "rank": 6125}, {"candidate_id": "ODC-482520", "res_at": 1786967268, "skeleton": "JLEQLYHPTKTTLQ", "hf_user": "lasbagas", "display_name": "tornado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 4.689, "axes": {"activity": 2.64, "binding": 0.09, "selectivity": 0.0, "admet": 0.95, "novelty": 0.57, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.549, "fraction": 0.088}, "binding": {"pIC50": 3.82, "LE": 0.249, "potency_term": 0.005, "efficiency_cap": 0.83}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.722, "per_endpoint": {"solubility-aqsoldb": 0.71, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.821, "cyp3a4-substrate-carbonmangels": 0.073, "ld50-zhu": 0.59, "herg": 0.727, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "2", "pAct_q10": 4.549228950032404, "aff_pf": 2.18361759185791, "aff_hs": 1.6434067885080974, "repeats_pf": {"runs": 3, "values": [2.1089, 1.9995, 2.4424], "mean": 2.1836, "spread": 0.4429}, "repeats_hs": {"runs": 3, "values": [1.6286, 1.6237, 1.6779], "mean": 1.6434, "spread": 0.0543}, "at": 1786967268}, "tier": 1, "relegate_reason": [], "submitted_at": 1786966903, "scored_at": 1786967268, "alerts": [], "rank": 6126}, {"candidate_id": "ODC-24C887", "res_at": 1787415606, "skeleton": "RYUMCJBIURDKPD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1nc(··········[nH]1", "total": 4.684, "axes": {"activity": 1.7, "binding": 1.43, "selectivity": 0.0, "admet": 0.71, "novelty": 0.52, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.702, "fraction": 0.057}, "binding": {"pIC50": 5.21, "LE": 0.357, "potency_term": 0.071, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.071}, "admet": {"geometric_mean": 0.667, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.982, "cyp3a4-substrate-carbonmangels": 0.465, "ld50-zhu": 0.837, "herg": 0.922, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 4.701760873519085, "aff_pf": 0.785586953163147, "aff_hs": 0.3584350148836772, "repeats_pf": {"runs": 3, "values": [0.8229, 0.7953, 0.7386], "mean": 0.7856, "spread": 0.0842}, "repeats_hs": {"runs": 3, "values": [0.4219, 0.3831, 0.2703], "mean": 0.3584, "spread": 0.1516}, "at": 1787415606}, "tier": 1, "relegate_reason": [], "submitted_at": 1787409878, "scored_at": 1787415606, "alerts": [], "rank": 6127}, {"candidate_id": "ODC-ABE431", "res_at": 1787553496, "skeleton": "IPWFEJOVOKWJJC", "hf_user": "filex815", "display_name": "filex815", "model_name": "Ox-alpha", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········F)CC1", "total": 4.66, "axes": {"activity": 2.44, "binding": 0.21, "selectivity": 0.0, "admet": 1.06, "novelty": 0.55, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.517, "fraction": 0.081}, "binding": {"pIC50": 4.1, "LE": 0.375, "potency_term": 0.011, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.868, "per_endpoint": {"solubility-aqsoldb": 0.885, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.391, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.516754046620181, "aff_pf": 1.895010272661845, "aff_hs": 1.3734184106190999, "repeats_pf": {"runs": 3, "values": [1.8145, 1.9326, 1.9379], "mean": 1.895, "spread": 0.1234}, "repeats_hs": {"runs": 3, "values": [1.1887, 1.384, 1.5475], "mean": 1.3734, "spread": 0.3588}, "at": 1787553496}, "tier": 1, "relegate_reason": [], "submitted_at": 1787536177, "scored_at": 1787553496, "alerts": [], "rank": 6128}, {"candidate_id": "ODC-C8E9C6", "res_at": 1787130575, "skeleton": "LNZOKJOERXCPGU", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CC1=O", "total": 4.655, "axes": {"activity": 2.49, "binding": 0.8, "selectivity": 0.0, "admet": 0.69, "novelty": 0.27, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.525, "fraction": 0.083}, "binding": {"pIC50": 4.67, "LE": 0.278, "potency_term": 0.043, "efficiency_cap": 0.926}, "selectivity": {"fold": 2.2, "selectivity_term": 0.166, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.846, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.138, "herg": 1.0, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.679, "novelty": 0.321}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.524722368494482, "aff_pf": 1.334040681521098, "aff_hs": 1.6668392817179363, "repeats_pf": {"runs": 3, "values": [1.3884, 1.2245, 1.3892], "mean": 1.334, "spread": 0.1647}, "repeats_hs": {"runs": 3, "values": [1.6481, 1.6821, 1.6704], "mean": 1.6668, "spread": 0.034}, "at": 1787130575}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787122979, "scored_at": 1787130575, "rank": 6129}, {"candidate_id": "ODC-7DB9B0", "res_at": 1787255259, "skeleton": "GKANPYYYROVRJO", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "STRAT-S1-G01", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)F)c1", "total": 4.649, "axes": {"activity": 2.53, "binding": 0.51, "selectivity": 0.0, "admet": 0.64, "novelty": 0.54, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.752, "fraction": 0.084}, "binding": {"pIC50": 4.48, "LE": 0.279, "potency_term": 0.027, "efficiency_cap": 0.93}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.507, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.98, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.963, "cyp2c9-veith": 0.064, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.612, "herg": 0.563, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.752010277172001, "aff_pf": 1.5185527006785076, "aff_hs": 1.1453032890955608, "repeats_pf": {"runs": 3, "values": [1.2589, 1.5355, 1.7612], "mean": 1.5186, "spread": 0.5023}, "repeats_hs": {"runs": 3, "values": [1.0441, 1.2179, 1.1739], "mean": 1.1453, "spread": 0.1739}, "at": 1787255259}, "tier": 1, "relegate_reason": [], "submitted_at": 1787248053, "scored_at": 1787255259, "alerts": [], "rank": 6130}, {"candidate_id": "ODC-FFA7D2", "res_at": 1787283040, "skeleton": "QNHIJIMWHGGRFE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········O)cn1", "total": 4.634, "axes": {"activity": 2.04, "binding": 1.16, "selectivity": 0.0, "admet": 0.85, "novelty": 0.48, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 4.445, "fraction": 0.068}, "binding": {"pIC50": 4.78, "LE": 0.328, "potency_term": 0.058, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.839, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.974, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.412, "herg": 0.708, "dili": 0.985}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 4.96}}, "run": {"gpu": "3", "pAct_q10": 4.445122180388527, "aff_pf": 1.2173112233479817, "aff_hs": 1.23502512772878, "repeats_pf": {"runs": 3, "values": [1.2302, 1.3073, 1.1144], "mean": 1.2173, "spread": 0.1929}, "repeats_hs": {"runs": 3, "values": [1.3029, 1.1464, 1.2558], "mean": 1.235, "spread": 0.1564}, "at": 1787283040}, "tier": 1, "relegate_reason": [], "submitted_at": 1787279542, "scored_at": 1787283040, "alerts": [], "rank": 6131}, {"candidate_id": "ODC-4FFA2B", "res_at": 1787072921, "skeleton": "KLOFCCQEZZLNBE", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 4.612, "axes": {"activity": 2.24, "binding": 1.03, "selectivity": 0.01, "admet": 0.51, "novelty": 0.48, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.734, "fraction": 0.075}, "binding": {"pIC50": 5.16, "LE": 0.294, "potency_term": 0.052, "efficiency_cap": 0.981}, "selectivity": {"fold": 1.0, "selectivity_term": 0.006, "target_engagement": 0.052}, "admet": {"geometric_mean": 0.454, "per_endpoint": {"solubility-aqsoldb": 0.329, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.651, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.22, "herg": 0.642, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.62}}, "run": {"gpu": "3", "pAct_q10": 4.734127238416591, "aff_pf": 0.843019962310791, "aff_hs": 0.8544641335805258, "repeats_pf": {"runs": 3, "values": [0.8108, 0.8941, 0.8241], "mean": 0.843, "spread": 0.0832}, "repeats_hs": {"runs": 3, "values": [0.7992, 0.8621, 0.902], "mean": 0.8545, "spread": 0.1028}, "at": 1787072921}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066055, "scored_at": 1787072921, "alerts": [], "rank": 6132}, {"candidate_id": "ODC-A44095", "res_at": 1788075261, "skeleton": "VOASKLRZSZAJOA", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········c1C#N", "total": 4.601, "axes": {"activity": 2.03, "binding": 1.33, "selectivity": 0.0, "admet": 0.46, "novelty": 0.44, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.722, "fraction": 0.068}, "binding": {"pIC50": 4.84, "LE": 0.301, "potency_term": 0.066, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.228, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.374, "ld50-zhu": 0.255, "herg": 0.599, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "0", "pAct_q10": 4.721975764345958, "aff_pf": 1.16321857770284, "aff_hs": 1.61856476465861, "repeats_pf": {"runs": 3, "values": [1.2061, 1.3003, 0.9832], "mean": 1.1632, "spread": 0.3171}, "repeats_hs": {"runs": 3, "values": [1.7075, 1.4483, 1.7], "mean": 1.6186, "spread": 0.2592}, "at": 1788075261}, "tier": 1, "alerts": [], "total_sd": 0.379, "total_ci95": [4.192, 5.348], "relegate_reason": [], "submitted_at": 1788028813, "scored_at": 1788075261, "rank": 6133}, {"candidate_id": "ODC-04A3DB", "res_at": 1787464441, "skeleton": "TXCMKARCFZPZMM", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nccc··········Cl)c1", "total": 4.587, "axes": {"activity": 2.53, "binding": 0.42, "selectivity": 0.0, "admet": 0.73, "novelty": 0.49, "synthesis": 0.42}, "detail": {"activity": {"pAct_q10": 4.532, "fraction": 0.084}, "binding": {"pIC50": 4.38, "LE": 0.333, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.125, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.742, "cyp3a4-substrate-carbonmangels": 0.181, "ld50-zhu": 0.368, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 1.92}}, "run": {"gpu": "3", "pAct_q10": 4.531582662263372, "aff_pf": 1.6247948010762532, "aff_hs": 1.8750831286112468, "repeats_pf": {"runs": 3, "values": [1.5598, 1.8169, 1.4977], "mean": 1.6248, "spread": 0.3192}, "repeats_hs": {"runs": 3, "values": [1.8983, 1.9385, 1.7885], "mean": 1.8751, "spread": 0.15}, "at": 1787464441}, "tier": 1, "relegate_reason": [], "submitted_at": 1787463708, "scored_at": 1787464441, "alerts": [], "rank": 6134}, {"candidate_id": "ODC-289941", "res_at": 1787073722, "skeleton": "XBYDRWUGAMOERP", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)cc1", "total": 4.586, "axes": {"activity": 1.89, "binding": 1.38, "selectivity": 0.0, "admet": 0.56, "novelty": 0.41, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.415, "fraction": 0.063}, "binding": {"pIC50": 4.85, "LE": 0.332, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.441, "cyp3a4-substrate-carbonmangels": 0.933, "ld50-zhu": 0.216, "herg": 0.155, "dili": 0.676}}, "novelty": {"max_tanimoto": 0.41, "novelty": 0.59}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 4.414816891720305, "aff_pf": 1.1475051244099934, "aff_hs": 1.0433991352717082, "repeats_pf": {"runs": 3, "values": [1.1638, 1.135, 1.1437], "mean": 1.1475, "spread": 0.0289}, "repeats_hs": {"runs": 3, "values": [1.0634, 1.1745, 0.8923], "mean": 1.0434, "spread": 0.2822}, "at": 1787073722}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066103, "scored_at": 1787073722, "alerts": [], "rank": 6135}, {"candidate_id": "ODC-341269", "res_at": 1787164986, "skeleton": "YHQRSYCBXWQXCA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W6-R5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········2)cc1", "total": 4.584, "axes": {"activity": 1.51, "binding": 1.46, "selectivity": 0.0, "admet": 0.84, "novelty": 0.41, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.691, "fraction": 0.05}, "binding": {"pIC50": 4.87, "LE": 0.303, "potency_term": 0.073, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.8, "selectivity_term": 0.472, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.77, "per_endpoint": {"solubility-aqsoldb": 0.993, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.709, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 1.9}}, "run": {"gpu": "3", "pAct_q10": 4.69087519083968, "aff_pf": 1.1271279454231262, "aff_hs": 2.0706117153167725, "repeats_pf": {"runs": 3, "values": [1.2461, 0.8657, 1.2695], "mean": 1.1271, "spread": 0.4038}, "repeats_hs": {"runs": 3, "values": [2.0875, 2.0432, 2.0811], "mean": 2.0706, "spread": 0.0443}, "at": 1787164986}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156164, "scored_at": 1787164986, "alerts": [], "rank": 6136}, {"candidate_id": "ODC-9D9462", "res_at": 1787950030, "skeleton": "CUCAFXOFQATEID", "hf_user": "dlghkdueo", "display_name": "SOMANG-E2", "model_name": "Claude", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 4.566, "axes": {"activity": 1.74, "binding": 1.39, "selectivity": 0.0, "admet": 0.64, "novelty": 0.44, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.382, "fraction": 0.058}, "binding": {"pIC50": 4.86, "LE": 0.333, "potency_term": 0.07, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.121, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.611, "per_endpoint": {"solubility-aqsoldb": 0.415, "caco2-wang": 0.95, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.7, "cyp3a4-substrate-carbonmangels": 0.839, "ld50-zhu": 0.369, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.02}}, "run": {"gpu": "0", "pAct_q10": 4.382336261034155, "aff_pf": 1.144151210784912, "aff_hs": 1.385473648707072, "repeats_pf": {"runs": 3, "values": [1.2835, 1.0025, 1.1465], "mean": 1.1442, "spread": 0.281}, "repeats_hs": {"runs": 3, "values": [1.4763, 1.3262, 1.3539], "mean": 1.3855, "spread": 0.1501}, "at": 1787950030}, "tier": 1, "relegate_reason": [], "submitted_at": 1787937069, "scored_at": 1787950030, "alerts": [], "rank": 6137}, {"candidate_id": "ODC-3ADA7C", "res_at": 1788076580, "skeleton": "YUHXNBWQWYBHST", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 4.562, "axes": {"activity": 2.63, "binding": 0.32, "selectivity": 0.0, "admet": 0.74, "novelty": 0.44, "synthesis": 0.44}, "detail": {"activity": {"pAct_q10": 4.548, "fraction": 0.088}, "binding": {"pIC50": 5.05, "LE": 0.346, "potency_term": 0.016, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.016}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.443, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.833, "cyp3a4-substrate-carbonmangels": 0.744, "ld50-zhu": 0.167, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "0", "pAct_q10": 4.547568085407793, "aff_pf": 0.952614943186442, "aff_hs": 0.5935307145118713, "repeats_pf": {"runs": 3, "values": [1.0603, 0.8912, 0.9064], "mean": 0.9526, "spread": 0.1691}, "repeats_hs": {"runs": 3, "values": [0.6247, 0.6093, 0.5466], "mean": 0.5935, "spread": 0.078}, "at": 1788076580}, "tier": 1, "alerts": [], "total_sd": 0.71, "total_ci95": [4.528, 6.435], "relegate_reason": [], "submitted_at": 1788028871, "scored_at": 1788076580, "rank": 6138}, {"candidate_id": "ODC-4C1241", "res_at": 1787647748, "skeleton": "HEIIEXSAIPKWRZ", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········cnn12", "total": 4.546, "axes": {"activity": 1.12, "binding": 1.64, "selectivity": 0.0, "admet": 0.83, "novelty": 0.58, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.208, "fraction": 0.037}, "binding": {"pIC50": 5.25, "LE": 0.327, "potency_term": 0.082, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.082}, "admet": {"geometric_mean": 0.675, "per_endpoint": {"solubility-aqsoldb": 0.811, "caco2-wang": 0.913, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.867, "ld50-zhu": 0.366, "herg": 0.867, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "3", "pAct_q10": 4.207663720143036, "aff_pf": 0.7544450958569845, "aff_hs": 0.6848344405492147, "repeats_pf": {"runs": 3, "values": [0.7215, 0.7401, 0.8017], "mean": 0.7544, "spread": 0.0803}, "repeats_hs": {"runs": 3, "values": [0.7456, 0.6185, 0.6904], "mean": 0.6848, "spread": 0.1271}, "at": 1787647748}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641406, "scored_at": 1787647748, "alerts": [], "rank": 6139}, {"candidate_id": "ODC-713444", "res_at": 1788982200, "skeleton": "IDTBURRLSFLEEF", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········Cl)c1", "total": 4.539, "axes": {"activity": 2.47, "binding": 0.42, "selectivity": 0.02, "admet": 0.68, "novelty": 0.54, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.748, "fraction": 0.082}, "binding": {"pIC50": 5.06, "LE": 0.315, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.041, "target_engagement": 0.021}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 0.919, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.471, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 4.748122658947815, "aff_pf": 0.9367268482844034, "aff_hs": 1.0183864831924438, "repeats_pf": {"runs": 3, "values": [0.9559, 0.9603, 0.8939], "mean": 0.9367, "spread": 0.0664}, "repeats_hs": {"runs": 3, "values": [1.102, 0.9593, 0.9938], "mean": 1.0184, "spread": 0.1427}, "at": 1788982200}, "tier": 1, "alerts": [], "total_sd": 0.128, "total_ci95": [4.377, 4.835], "relegate_reason": [], "submitted_at": 1788972229, "scored_at": 1788982200, "rank": 6140}, {"candidate_id": "ODC-6FAC73", "res_at": 1789915985, "skeleton": "WIAVJUBYDTUVQR", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)(F)F", "total": 4.537, "axes": {"activity": 0.68, "binding": 1.9, "selectivity": 0.0, "admet": 0.87, "novelty": 0.62, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.641, "fraction": 0.023}, "binding": {"pIC50": 4.98, "LE": 0.379, "potency_term": 0.095, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.112, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.352, "caco2-wang": 0.988, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.535, "cyp3a4-substrate-carbonmangels": 0.673, "ld50-zhu": 0.537, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "0", "pAct_q10": 4.640547020167475, "aff_pf": 1.0211375554402669, "aff_hs": 1.244939645131429, "repeats_pf": {"runs": 3, "values": [0.8557, 1.1018, 1.1059], "mean": 1.0211, "spread": 0.2503}, "repeats_hs": {"runs": 3, "values": [1.2293, 1.2022, 1.3033], "mean": 1.2449, "spread": 0.1011}, "at": 1789915985}, "tier": 1, "alerts": [], "total_sd": 1.144, "total_ci95": [1.605, 4.55], "relegate_reason": [], "submitted_at": 1789689668, "scored_at": 1789915985, "rank": 6141}, {"candidate_id": "ODC-27AD1C", "res_at": 1786793067, "skeleton": "ALFKONOEGDTVGP", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "omo-Claude-plus-local-gate-screen", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········)c2c1", "total": 4.536, "axes": {"activity": 1.46, "binding": 1.58, "selectivity": 0.01, "admet": 0.57, "novelty": 0.52, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.688, "fraction": 0.049}, "binding": {"pIC50": 5.24, "LE": 0.342, "potency_term": 0.079, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.079}, "admet": {"geometric_mean": 0.484, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.347, "cyp3a4-substrate-carbonmangels": 0.624, "ld50-zhu": 0.381, "herg": 0.187, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.1}}, "run": {"gpu": "3", "pAct_q10": 4.687590065062429, "aff_pf": 0.7631163994471232, "aff_hs": 0.7795275449752808, "repeats_pf": {"runs": 3, "values": [0.7874, 0.7077, 0.7942], "mean": 0.7631, "spread": 0.0865}, "repeats_hs": {"runs": 3, "values": [0.7527, 0.7948, 0.7911], "mean": 0.7795, "spread": 0.0421}, "at": 1786793067}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782983, "scored_at": 1786793067, "alerts": [], "rank": 6142}, {"candidate_id": "ODC-39DDEC", "res_at": 1788072692, "skeleton": "FQRBJLKZJWBZIQ", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nc2s1", "total": 4.454, "axes": {"activity": 2.42, "binding": 0.35, "selectivity": 0.11, "admet": 0.72, "novelty": 0.47, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.745, "fraction": 0.081}, "binding": {"pIC50": 5.05, "LE": 0.301, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.5, "selectivity_term": 0.329, "target_engagement": 0.017}, "admet": {"geometric_mean": 0.592, "per_endpoint": {"solubility-aqsoldb": 0.463, "caco2-wang": 0.944, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.848, "ld50-zhu": 0.577, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.418, "novelty": 0.582}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "0", "pAct_q10": 4.744994272489212, "aff_pf": 0.9477496941884359, "aff_hs": 1.6049879391988118, "repeats_pf": {"runs": 3, "values": [0.8884, 1.0415, 0.9134], "mean": 0.9477, "spread": 0.1531}, "repeats_hs": {"runs": 3, "values": [1.5211, 1.5797, 1.7142], "mean": 1.605, "spread": 0.1931}, "at": 1788072692}, "tier": 1, "alerts": [], "total_sd": 0.401, "total_ci95": [4.001, 5.926], "relegate_reason": [], "submitted_at": 1788028696, "scored_at": 1788072692, "rank": 6143}, {"candidate_id": "ODC-7076BB", "res_at": 1787160198, "skeleton": "WXRZALUQNLVOPS", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R9", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Nc1ccc(··········2)cc1", "total": 4.445, "axes": {"activity": 0.44, "binding": 1.87, "selectivity": 0.0, "admet": 1.06, "novelty": 0.71, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 3.836, "fraction": 0.015}, "binding": {"pIC50": 4.97, "LE": 0.378, "potency_term": 0.093, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.759, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.41, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.309, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.238, "novelty": 0.762}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 3.835537533454664, "aff_pf": 1.02715136607488, "aff_hs": 1.407244046529134, "repeats_pf": {"runs": 3, "values": [1.0448, 0.9721, 1.0645], "mean": 1.0272, "spread": 0.0924}, "repeats_hs": {"runs": 3, "values": [1.5448, 1.3448, 1.3321], "mean": 1.4072, "spread": 0.2127}, "at": 1787160198}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148925, "scored_at": 1787160198, "alerts": [], "rank": 6144}, {"candidate_id": "ODC-7781D1", "res_at": 1787292636, "skeleton": "DUYTZWGAUROAFZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC1(c2c··········2)CC1", "total": 4.357, "axes": {"activity": 0.12, "binding": 2.12, "selectivity": 0.0, "admet": 0.8, "novelty": 0.79, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.607, "fraction": 0.004}, "binding": {"pIC50": 5.32, "LE": 0.347, "potency_term": 0.106, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.106}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.363, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.925, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.395, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.254, "novelty": 0.746}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.6072463450609025, "aff_pf": 0.6822773416837057, "aff_hs": 0.41234548886617023, "repeats_pf": {"runs": 3, "values": [0.6834, 0.7043, 0.6592], "mean": 0.6823, "spread": 0.0451}, "repeats_hs": {"runs": 3, "values": [0.382, 0.425, 0.4301], "mean": 0.4123, "spread": 0.0481}, "at": 1787292636}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290836, "scored_at": 1787292636, "alerts": [], "rank": 6145}, {"candidate_id": "ODC-C9FE00", "res_at": 1787149256, "skeleton": "SXFGOLQAEZWYPN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W2", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cc(-··········2)cn1", "total": 4.317, "axes": {"activity": 2.2, "binding": 0.43, "selectivity": 0.0, "admet": 0.95, "novelty": 0.37, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.476, "fraction": 0.073}, "binding": {"pIC50": 4.39, "LE": 0.3, "potency_term": 0.022, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.863, "per_endpoint": {"solubility-aqsoldb": 0.989, "caco2-wang": 0.856, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.902, "ld50-zhu": 0.458, "herg": 0.804, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.491, "novelty": 0.509}, "synthesis": {"sa_score": 2.07}}, "run": {"gpu": "3", "pAct_q10": 4.475587078187595, "aff_pf": 1.613550106684367, "aff_hs": 1.394159197807312, "repeats_pf": {"runs": 3, "values": [1.7336, 1.4544, 1.6526], "mean": 1.6136, "spread": 0.2791}, "repeats_hs": {"runs": 3, "values": [1.5129, 1.3441, 1.3255], "mean": 1.3942, "spread": 0.1874}, "at": 1787149256}, "tier": 1, "relegate_reason": [], "submitted_at": 1787147786, "scored_at": 1787149256, "alerts": [], "rank": 6146}, {"candidate_id": "ODC-EF8F56", "res_at": 1787949483, "skeleton": "SJEARFYOAYDADH", "hf_user": "dlghkdueo", "display_name": "SOMANG-D3", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 4.31, "axes": {"activity": 1.7, "binding": 1.35, "selectivity": 0.0, "admet": 0.54, "novelty": 0.38, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.372, "fraction": 0.057}, "binding": {"pIC50": 4.86, "LE": 0.289, "potency_term": 0.07, "efficiency_cap": 0.965}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.212, "cyp3a4-substrate-carbonmangels": 0.276, "ld50-zhu": 0.412, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.431, "novelty": 0.569}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "0", "pAct_q10": 4.372496642586246, "aff_pf": 1.1422479550043743, "aff_hs": 1.586534023284912, "repeats_pf": {"runs": 3, "values": [1.2583, 1.0573, 1.1111], "mean": 1.1422, "spread": 0.201}, "repeats_hs": {"runs": 3, "values": [1.6992, 1.5586, 1.5017], "mean": 1.5865, "spread": 0.1975}, "at": 1787949483}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936992, "scored_at": 1787949483, "alerts": [], "rank": 6147}, {"candidate_id": "ODC-F87557", "res_at": 1788892125, "skeleton": "ZPGCTRMALHPKBH", "hf_user": "trblnfxn", "display_name": "DZB-Cl", "model_name": "DZB-v1-docking", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········snc1O", "total": 4.3, "axes": {"activity": 2.19, "binding": 0.79, "selectivity": 0.0, "admet": 0.59, "novelty": 0.41, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.731, "fraction": 0.073}, "binding": {"pIC50": 4.67, "LE": 0.267, "potency_term": 0.044, "efficiency_cap": 0.889}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.451, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.393, "herg": 1.0, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "0", "pAct_q10": 4.7313581693643405, "aff_pf": 1.326863686243693, "aff_hs": 0.6266563336054484, "repeats_pf": {"runs": 3, "values": [1.2576, 1.3658, 1.3572], "mean": 1.3269, "spread": 0.1082}, "repeats_hs": {"runs": 3, "values": [0.5741, 0.676, 0.6299], "mean": 0.6267, "spread": 0.1019}, "at": 1788892125}, "tier": 1, "alerts": [], "total_sd": 0.062, "total_ci95": [4.226, 4.462], "relegate_reason": [], "submitted_at": 1788889058, "scored_at": 1788892125, "rank": 6148}, {"candidate_id": "ODC-26E977", "res_at": 1786879878, "skeleton": "TYSDIGPJSWLJGI", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)c1··········2)cc1", "total": 4.298, "axes": {"activity": 2.3, "binding": 0.68, "selectivity": 0.0, "admet": 0.57, "novelty": 0.36, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.493, "fraction": 0.077}, "binding": {"pIC50": 4.57, "LE": 0.348, "potency_term": 0.034, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.533, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.881, "ld50-zhu": 0.221, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 1.59}}, "run": {"gpu": "2", "pAct_q10": 4.493373994386259, "aff_pf": 1.4318513870239258, "aff_hs": 1.3718875249226887, "repeats_pf": {"runs": 3, "values": [1.4174, 1.3067, 1.5715], "mean": 1.4319, "spread": 0.2648}, "repeats_hs": {"runs": 3, "values": [1.287, 1.5043, 1.3244], "mean": 1.3719, "spread": 0.2173}, "at": 1786879878}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875250, "scored_at": 1786879878, "alerts": [], "rank": 6149}, {"candidate_id": "ODC-C41DC3", "res_at": 1787448293, "skeleton": "ZHJXYURXMIALSK", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········(F)c1", "total": 4.277, "axes": {"activity": 2.28, "binding": 0.5, "selectivity": 0.0, "admet": 0.66, "novelty": 0.48, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.737, "fraction": 0.076}, "binding": {"pIC50": 4.46, "LE": 0.291, "potency_term": 0.026, "efficiency_cap": 0.969}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.581, "per_endpoint": {"solubility-aqsoldb": 0.583, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.299, "ld50-zhu": 0.239, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.68}}, "run": {"gpu": "3", "pAct_q10": 4.736723405958606, "aff_pf": 1.5440950393676758, "aff_hs": 0.3166251480579376, "repeats_pf": {"runs": 3, "values": [1.4933, 1.5352, 1.6038], "mean": 1.5441, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [0.2988, 0.3252, 0.3259], "mean": 0.3166, "spread": 0.0271}, "at": 1787448293}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448085, "scored_at": 1787448293, "alerts": [], "rank": 6150}, {"candidate_id": "ODC-E1B3A7", "res_at": 1787128482, "skeleton": "NGEJSJOROXXTKF", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(c1c··········H]1C2", "total": 4.248, "axes": {"activity": 1.5, "binding": 1.28, "selectivity": 0.0, "admet": 0.83, "novelty": 0.48, "synthesis": 0.15}, "detail": {"activity": {"pAct_q10": 4.69, "fraction": 0.05}, "binding": {"pIC50": 4.82, "LE": 0.33, "potency_term": 0.064, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.86, "per_endpoint": {"solubility-aqsoldb": 0.736, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.81, "ld50-zhu": 0.616, "herg": 0.87, "dili": 0.939}}, "novelty": {"max_tanimoto": 0.246, "novelty": 0.754}, "synthesis": {"sa_score": 4.32}}, "run": {"gpu": "3", "pAct_q10": 4.690222903514333, "aff_pf": 1.1782248417536418, "aff_hs": 1.197279651959737, "repeats_pf": {"runs": 3, "values": [1.2331, 1.1188, 1.1827], "mean": 1.1782, "spread": 0.1143}, "repeats_hs": {"runs": 3, "values": [1.2226, 1.1738, 1.1954], "mean": 1.1973, "spread": 0.0488}, "at": 1787128482}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116597, "scored_at": 1787128482, "alerts": [], "rank": 6151}, {"candidate_id": "ODC-1605F9", "res_at": 1786904533, "skeleton": "ZEBUYPYBBGOCGX", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········cc2o1", "total": 4.218, "axes": {"activity": 2.4, "binding": 0.16, "selectivity": 0.0, "admet": 0.7, "novelty": 0.57, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.51, "fraction": 0.08}, "binding": {"pIC50": 5.02, "LE": 0.328, "potency_term": 0.008, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.008}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.241, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.887, "ld50-zhu": 0.53, "herg": 0.956, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 4.5103967687086, "aff_pf": 0.9761830766995748, "aff_hs": 0.09195899466673534, "repeats_pf": {"runs": 3, "values": [0.9094, 0.8919, 1.1272], "mean": 0.9762, "spread": 0.2352}, "repeats_hs": {"runs": 3, "values": [0.1346, 0.0876, 0.0536], "mean": 0.092, "spread": 0.081}, "at": 1786904533}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891873, "scored_at": 1786904533, "alerts": [], "rank": 6152}, {"candidate_id": "ODC-83409A", "res_at": 1788459614, "skeleton": "HGKWILCCPABSRP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCCCc··········nc2o1", "total": 4.216, "axes": {"activity": 0.25, "binding": 2.09, "selectivity": 0.33, "admet": 0.38, "novelty": 0.78, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.615, "fraction": 0.008}, "binding": {"pIC50": 5.49, "LE": 0.193, "potency_term": 0.162, "efficiency_cap": 0.642}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.162}, "admet": {"geometric_mean": 0.24, "per_endpoint": {"solubility-aqsoldb": 0.073, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 0.92, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.173, "ld50-zhu": 0.527, "herg": 0.05, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 4.615097186866845, "aff_pf": 0.5131978889306387, "aff_hs": 0.7142183780670166, "repeats_pf": {"runs": 3, "values": [0.569, 0.5262, 0.4444], "mean": 0.5132, "spread": 0.1246}, "repeats_hs": {"runs": 3, "values": [0.6102, 0.855, 0.6775], "mean": 0.7142, "spread": 0.2448}, "at": 1788459614}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.305, "total_ci95": [3.67, 4.846], "relegate_reason": [], "submitted_at": 1788394207, "scored_at": 1788459614, "rank": 6153}, {"candidate_id": "ODC-3392C7", "res_at": 1787164038, "skeleton": "FYMFBSUUCFDJHH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········N)cc1", "total": 4.201, "axes": {"activity": 1.96, "binding": 0.91, "selectivity": 0.0, "admet": 0.58, "novelty": 0.42, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.431, "fraction": 0.065}, "binding": {"pIC50": 4.7, "LE": 0.292, "potency_term": 0.047, "efficiency_cap": 0.975}, "selectivity": {"fold": 1.7, "selectivity_term": 0.117, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.429, "cyp3a4-substrate-carbonmangels": 0.926, "ld50-zhu": 0.425, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 1.74}}, "run": {"gpu": "3", "pAct_q10": 4.430704357908396, "aff_pf": 1.3048235575358074, "aff_hs": 1.539238969484965, "repeats_pf": {"runs": 3, "values": [1.2298, 1.2779, 1.4068], "mean": 1.3048, "spread": 0.177}, "repeats_hs": {"runs": 3, "values": [1.5201, 1.5388, 1.5588], "mean": 1.5392, "spread": 0.0387}, "at": 1787164038}, "tier": 1, "relegate_reason": [], "submitted_at": 1787155618, "scored_at": 1787164038, "alerts": [], "rank": 6154}, {"candidate_id": "ODC-822E01", "res_at": 1786861240, "skeleton": "LUPGSANXHAFTPT", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)n2n1", "total": 4.164, "axes": {"activity": 2.41, "binding": 0.78, "selectivity": 0.0, "admet": 0.4, "novelty": 0.18, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.512, "fraction": 0.08}, "binding": {"pIC50": 4.69, "LE": 0.257, "potency_term": 0.046, "efficiency_cap": 0.856}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.095, "caco2-wang": 0.836, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.62, "ld50-zhu": 0.458, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.778, "novelty": 0.222}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "2", "pAct_q10": 4.51202647940558, "aff_pf": 1.314744234085083, "aff_hs": 1.297655423482259, "repeats_pf": {"runs": 3, "values": [1.2825, 1.3223, 1.3395], "mean": 1.3147, "spread": 0.057}, "repeats_hs": {"runs": 3, "values": [1.4934, 1.2784, 1.1212], "mean": 1.2977, "spread": 0.3722}, "at": 1786861240}, "tier": 1, "relegate_reason": [], "submitted_at": 1786850313, "scored_at": 1786861240, "alerts": [], "rank": 6155}, {"candidate_id": "ODC-DF504C", "res_at": 1786936490, "skeleton": "BKLOKDDBADAZBG", "hf_user": "HeSuDal", "display_name": "HeSuDal", "model_name": "Claude Opus 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc2··········)n2n1", "total": 4.146, "axes": {"activity": 1.85, "binding": 1.11, "selectivity": 0.0, "admet": 0.53, "novelty": 0.36, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.711, "fraction": 0.062}, "binding": {"pIC50": 4.77, "LE": 0.297, "potency_term": 0.056, "efficiency_cap": 0.99}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.499, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.698, "cyp3a4-substrate-carbonmangels": 0.625, "ld50-zhu": 0.268, "herg": 0.39, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.413, "novelty": 0.587}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 4.7109803988796335, "aff_pf": 1.2328089872996013, "aff_hs": 1.4263306856155396, "repeats_pf": {"runs": 3, "values": [1.2128, 1.2518, 1.2338], "mean": 1.2328, "spread": 0.039}, "repeats_hs": {"runs": 3, "values": [1.3355, 1.3753, 1.5681], "mean": 1.4263, "spread": 0.2326}, "at": 1786936490}, "tier": 1, "relegate_reason": [], "submitted_at": 1786930676, "scored_at": 1786936490, "alerts": [], "rank": 6156}, {"candidate_id": "ODC-3ABC11", "res_at": 1787902836, "skeleton": "RLVCTHQHXTXNNA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········c1C#N", "total": 4.145, "axes": {"activity": 0.29, "binding": 1.91, "selectivity": 0.0, "admet": 0.81, "novelty": 0.68, "synthesis": 0.46}, "detail": {"activity": {"pAct_q10": 4.617, "fraction": 0.01}, "binding": {"pIC50": 4.98, "LE": 0.31, "potency_term": 0.095, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.566, "per_endpoint": {"solubility-aqsoldb": 0.426, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.814, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.369, "herg": 0.447, "dili": 0.505}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 4.617389466247234, "aff_pf": 1.0193514426549275, "aff_hs": 1.0173936287562053, "repeats_pf": {"runs": 3, "values": [0.9348, 1.0074, 1.1158], "mean": 1.0194, "spread": 0.1809}, "repeats_hs": {"runs": 3, "values": [1.0553, 1.2028, 0.7941], "mean": 1.0174, "spread": 0.4087}, "at": 1787902836}, "tier": 1, "relegate_reason": [], "submitted_at": 1787883302, "scored_at": 1787902836, "alerts": [], "rank": 6157}, {"candidate_id": "ODC-1A6878", "res_at": 1787394608, "skeleton": "GFEZMZRQTNFKMG", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "S1-B", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 4.119, "axes": {"activity": 2.42, "binding": 0.27, "selectivity": 0.0, "admet": 0.59, "novelty": 0.43, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.514, "fraction": 0.081}, "binding": {"pIC50": 4.27, "LE": 0.254, "potency_term": 0.016, "efficiency_cap": 0.848}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.489, "per_endpoint": {"solubility-aqsoldb": 0.645, "caco2-wang": 0.874, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.789, "cyp3a4-substrate-carbonmangels": 0.398, "ld50-zhu": 0.297, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 1.85}}, "run": {"gpu": "3", "pAct_q10": 4.5142951044531845, "aff_pf": 1.7284318606058757, "aff_hs": 1.5802628993988037, "repeats_pf": {"runs": 3, "values": [1.6575, 1.7581, 1.7697], "mean": 1.7284, "spread": 0.1122}, "repeats_hs": {"runs": 3, "values": [1.5504, 1.6103, 1.5801], "mean": 1.5803, "spread": 0.0599}, "at": 1787394608}, "tier": 1, "relegate_reason": [], "submitted_at": 1787394076, "scored_at": 1787394608, "alerts": [], "rank": 6158}, {"candidate_id": "ODC-699733", "res_at": 1787164605, "skeleton": "YPPMQDDLZGLXFY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W6-R3", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········2)cc1", "total": 4.119, "axes": {"activity": 2.39, "binding": 0.03, "selectivity": 0.0, "admet": 0.87, "novelty": 0.44, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.743, "fraction": 0.08}, "binding": {"pIC50": 3.45, "LE": 0.197, "potency_term": 0.002, "efficiency_cap": 0.656}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.731, "per_endpoint": {"solubility-aqsoldb": 0.795, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.668, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 4.743151707400662, "aff_pf": 2.5512353579203286, "aff_hs": 2.0682348012924194, "repeats_pf": {"runs": 3, "values": [2.4752, 2.5646, 2.6139], "mean": 2.5512, "spread": 0.1388}, "repeats_hs": {"runs": 3, "values": [1.8351, 2.1919, 2.1777], "mean": 2.0682, "spread": 0.3568}, "at": 1787164605}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156116, "scored_at": 1787164605, "alerts": [], "rank": 6159}, {"candidate_id": "ODC-3FE92F", "res_at": 1787911279, "skeleton": "ARTPYXMZXGXSBI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 4.118, "axes": {"activity": 2.21, "binding": 0.52, "selectivity": 0.13, "admet": 0.6, "novelty": 0.38, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.733, "fraction": 0.074}, "binding": {"pIC50": 5.09, "LE": 0.249, "potency_term": 0.031, "efficiency_cap": 0.831}, "selectivity": {"fold": 2.6, "selectivity_term": 0.204, "target_engagement": 0.031}, "admet": {"geometric_mean": 0.547, "per_endpoint": {"solubility-aqsoldb": 0.754, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.728, "cyp3a4-substrate-carbonmangels": 0.446, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.478, "novelty": 0.522}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 4.732631826846961, "aff_pf": 0.9058324495951334, "aff_hs": 1.3133291403452556, "repeats_pf": {"runs": 3, "values": [0.9037, 0.908, 0.9057], "mean": 0.9058, "spread": 0.0043}, "repeats_hs": {"runs": 3, "values": [1.2715, 1.3077, 1.3609], "mean": 1.3133, "spread": 0.0894}, "at": 1787911279}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898779, "scored_at": 1787911279, "alerts": [], "rank": 6160}, {"candidate_id": "ODC-3F954D", "res_at": 1787448481, "skeleton": "NHZPVOFNOSWKEW", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(-··········cc1=O", "total": 4.111, "axes": {"activity": 1.08, "binding": 1.51, "selectivity": 0.0, "admet": 0.68, "novelty": 0.46, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.665, "fraction": 0.036}, "binding": {"pIC50": 4.89, "LE": 0.352, "potency_term": 0.075, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.604, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.135, "ld50-zhu": 0.49, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "3", "pAct_q10": 4.664923411709072, "aff_pf": 1.1134247779846191, "aff_hs": 0.819263736406962, "repeats_pf": {"runs": 3, "values": [1.1707, 1.0652, 1.1043], "mean": 1.1134, "spread": 0.1055}, "repeats_hs": {"runs": 3, "values": [0.8283, 0.8238, 0.8057], "mean": 0.8193, "spread": 0.0226}, "at": 1787448481}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448095, "scored_at": 1787448481, "alerts": [], "rank": 6161}, {"candidate_id": "ODC-6B74E9", "res_at": 1788074435, "skeleton": "BVESUTREXLYHJL", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········s2)c1", "total": 4.102, "axes": {"activity": 2.01, "binding": 0.85, "selectivity": 0.0, "admet": 0.5, "novelty": 0.4, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.721, "fraction": 0.067}, "binding": {"pIC50": 4.66, "LE": 0.319, "potency_term": 0.043, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.209, "cyp3a4-substrate-carbonmangels": 0.686, "ld50-zhu": 0.222, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "0", "pAct_q10": 4.720790332261905, "aff_pf": 1.341761310895284, "aff_hs": 1.3039948145548503, "repeats_pf": {"runs": 3, "values": [1.2537, 1.4783, 1.2932], "mean": 1.3418, "spread": 0.2246}, "repeats_hs": {"runs": 3, "values": [1.4099, 1.3169, 1.1851], "mean": 1.304, "spread": 0.2248}, "at": 1788074435}, "tier": 1, "alerts": [], "total_sd": 0.121, "total_ci95": [3.956, 4.311], "relegate_reason": [], "submitted_at": 1788028804, "scored_at": 1788074435, "rank": 6162}, {"candidate_id": "ODC-B8ED27", "res_at": 1789936451, "skeleton": "SMYAVITVSYQLJA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········ccc12", "total": 4.097, "axes": {"activity": 2.47, "binding": 0.31, "selectivity": 0.0, "admet": 0.47, "novelty": 0.46, "synthesis": 0.38}, "detail": {"activity": {"pAct_q10": 4.748, "fraction": 0.082}, "binding": {"pIC50": 4.42, "LE": 0.196, "potency_term": 0.024, "efficiency_cap": 0.652}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.251, "caco2-wang": 0.893, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.244, "cyp3a4-substrate-carbonmangels": 0.722, "ld50-zhu": 0.592, "herg": 0.066, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "0", "pAct_q10": 4.7483559892126035, "aff_pf": 1.5753905773162842, "aff_hs": 1.289129416147868, "repeats_pf": {"runs": 3, "values": [1.5686, 1.5594, 1.5982], "mean": 1.5754, "spread": 0.0389}, "repeats_hs": {"runs": 3, "values": [1.3722, 1.2192, 1.276], "mean": 1.2891, "spread": 0.153}, "at": 1789936451}, "tier": 1, "alerts": [], "total_sd": 0.008, "total_ci95": [4.078, 4.111], "relegate_reason": [], "submitted_at": 1789778792, "scored_at": 1789936451, "rank": 6163}, {"candidate_id": "ODC-5EB3A7", "res_at": 1787214372, "skeleton": "MIBZEGYKHRCTLF", "hf_user": "JUNSAM", "display_name": "Ai_Sian", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1NC(··········sc1Cl", "total": 4.093, "axes": {"activity": 2.38, "binding": 0.01, "selectivity": 0.0, "admet": 0.82, "novelty": 0.64, "synthesis": 0.24}, "detail": {"activity": {"pAct_q10": 4.743, "fraction": 0.079}, "binding": {"pIC50": 5.0, "LE": 0.361, "potency_term": 0.001, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.001}, "admet": {"geometric_mean": 0.687, "per_endpoint": {"solubility-aqsoldb": 0.383, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.867, "cyp3a4-substrate-carbonmangels": 0.94, "ld50-zhu": 0.698, "herg": 1.0, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.2, "novelty": 0.8}, "synthesis": {"sa_score": 3.87}}, "run": {"gpu": "3", "pAct_q10": 4.742953761910525, "aff_pf": 0.9978724718093872, "aff_hs": 0.7376185059547424, "repeats_pf": {"runs": 3, "values": [1.0471, 0.9567, 0.9899], "mean": 0.9979, "spread": 0.0904}, "repeats_hs": {"runs": 3, "values": [0.6684, 0.7901, 0.7543], "mean": 0.7376, "spread": 0.1217}, "at": 1787214372}, "tier": 1, "relegate_reason": [], "submitted_at": 1787213125, "scored_at": 1787214372, "alerts": [], "rank": 6164}, {"candidate_id": "ODC-2DEA34", "res_at": 1787159818, "skeleton": "KDGBRFAVAKOTFJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R7", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 4.092, "axes": {"activity": 0.84, "binding": 1.56, "selectivity": 0.0, "admet": 0.84, "novelty": 0.56, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.089, "fraction": 0.028}, "binding": {"pIC50": 4.9, "LE": 0.373, "potency_term": 0.078, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.121, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.716, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.19, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 4.089010429926391, "aff_pf": 1.0997163852055867, "aff_hs": 1.3421541452407837, "repeats_pf": {"runs": 3, "values": [1.2405, 0.9766, 1.082], "mean": 1.0997, "spread": 0.2639}, "repeats_hs": {"runs": 3, "values": [1.2684, 1.5288, 1.2293], "mean": 1.3422, "spread": 0.2995}, "at": 1787159818}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148895, "scored_at": 1787159818, "alerts": [], "rank": 6165}, {"candidate_id": "ODC-667431", "res_at": 1787147920, "skeleton": "ALAQWZCFAKCVDB", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)N··········cc2n1", "total": 4.079, "axes": {"activity": 2.33, "binding": 0.24, "selectivity": 0.0, "admet": 0.68, "novelty": 0.44, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.499, "fraction": 0.078}, "binding": {"pIC50": 4.17, "LE": 0.285, "potency_term": 0.012, "efficiency_cap": 0.951}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.585, "per_endpoint": {"solubility-aqsoldb": 0.594, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.158, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "3", "pAct_q10": 4.4988799460389925, "aff_pf": 1.8345179955164592, "aff_hs": 1.7532984415690105, "repeats_pf": {"runs": 3, "values": [1.7838, 1.875, 1.8448], "mean": 1.8345, "spread": 0.0913}, "repeats_hs": {"runs": 3, "values": [1.6293, 1.8376, 1.793], "mean": 1.7533, "spread": 0.2082}, "at": 1787147920}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145118, "scored_at": 1787147920, "alerts": [], "rank": 6166}, {"candidate_id": "ODC-7CCF22", "res_at": 1787415038, "skeleton": "PVEVPQPIPHLSBX", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cc(··········[nH]1", "total": 4.073, "axes": {"activity": 0.01, "binding": 1.79, "selectivity": 0.28, "admet": 0.92, "novelty": 0.68, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.601, "fraction": 0.0}, "binding": {"pIC50": 5.27, "LE": 0.344, "potency_term": 0.089, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.156, "target_engagement": 0.089}, "admet": {"geometric_mean": 0.689, "per_endpoint": {"solubility-aqsoldb": 0.584, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.798, "cyp3a4-substrate-carbonmangels": 0.434, "ld50-zhu": 0.683, "herg": 1.0, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.236, "novelty": 0.764}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 4.6005911746431485, "aff_pf": 0.732198695341746, "aff_hs": 1.0449565649032593, "repeats_pf": {"runs": 3, "values": [0.7785, 0.7409, 0.6772], "mean": 0.7322, "spread": 0.1013}, "repeats_hs": {"runs": 3, "values": [1.0471, 0.9862, 1.1016], "mean": 1.045, "spread": 0.1154}, "at": 1787415038}, "tier": 1, "relegate_reason": [], "submitted_at": 1787409850, "scored_at": 1787415038, "alerts": [], "rank": 6167}, {"candidate_id": "ODC-C7BFC3", "res_at": 1789903777, "skeleton": "HROMMBKSFGFWEZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 4.064, "axes": {"activity": 1.37, "binding": 1.48, "selectivity": 0.0, "admet": 0.59, "novelty": 0.32, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.287, "fraction": 0.046}, "binding": {"pIC50": 4.92, "LE": 0.27, "potency_term": 0.082, "efficiency_cap": 0.899}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.531, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.791, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.822, "cyp3a4-substrate-carbonmangels": 0.392, "ld50-zhu": 0.4, "herg": 0.235, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.569, "novelty": 0.431}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "2", "pAct_q10": 4.286529035028238, "aff_pf": 1.0773512125015259, "aff_hs": 0.2810160865386327, "repeats_pf": {"runs": 3, "values": [1.0894, 1.1014, 1.0413], "mean": 1.0774, "spread": 0.0601}, "repeats_hs": {"runs": 3, "values": [0.23, 0.198, 0.415], "mean": 0.281, "spread": 0.2169}, "at": 1789903777}, "tier": 1, "alerts": [], "total_sd": 0.112, "total_ci95": [3.922, 4.34], "relegate_reason": [], "submitted_at": 1789770120, "scored_at": 1789903777, "rank": 6168}, {"candidate_id": "ODC-E53A19", "res_at": 1787139021, "skeleton": "XMYXKWDWCXZKRO", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1-R3", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)cc1", "total": 4.053, "axes": {"activity": 2.03, "binding": 0.59, "selectivity": 0.0, "admet": 0.77, "novelty": 0.33, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.444, "fraction": 0.068}, "binding": {"pIC50": 4.51, "LE": 0.363, "potency_term": 0.029, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.28, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.761, "per_endpoint": {"solubility-aqsoldb": 0.837, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.347, "ld50-zhu": 0.261, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.519, "novelty": 0.481}, "synthesis": {"sa_score": 1.76}}, "run": {"gpu": "3", "pAct_q10": 4.443630883316393, "aff_pf": 1.4900010426839192, "aff_hs": 2.0508264700571694, "repeats_pf": {"runs": 3, "values": [1.4615, 1.5381, 1.4704], "mean": 1.49, "spread": 0.0766}, "repeats_hs": {"runs": 3, "values": [2.0838, 1.994, 2.0747], "mean": 2.0508, "spread": 0.0898}, "at": 1787139021}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138440, "scored_at": 1787139021, "alerts": [], "rank": 6169}, {"candidate_id": "ODC-3B60F1", "res_at": 1787449640, "skeleton": "AGPNRRSKVWWFFA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(-c··········nc1=O", "total": 4.05, "axes": {"activity": 1.95, "binding": 0.59, "selectivity": 0.07, "admet": 0.68, "novelty": 0.45, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.429, "fraction": 0.065}, "binding": {"pIC50": 5.09, "LE": 0.332, "potency_term": 0.03, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.115, "target_engagement": 0.03}, "admet": {"geometric_mean": 0.697, "per_endpoint": {"solubility-aqsoldb": 0.56, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.932, "ld50-zhu": 0.551, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 4.42864920768005, "aff_pf": 0.9109016458193461, "aff_hs": 1.140594442685445, "repeats_pf": {"runs": 3, "values": [0.958, 0.8569, 0.9178], "mean": 0.9109, "spread": 0.1012}, "repeats_hs": {"runs": 3, "values": [1.161, 1.1353, 1.1255], "mean": 1.1406, "spread": 0.0354}, "at": 1787449640}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448130, "scored_at": 1787449640, "alerts": [], "rank": 6170}, {"candidate_id": "ODC-AF14F5", "res_at": 1786885124, "skeleton": "FSBKMDDXMCRZCL", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 4.048, "axes": {"activity": 2.37, "binding": 0.23, "selectivity": 0.0, "admet": 0.69, "novelty": 0.36, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.506, "fraction": 0.079}, "binding": {"pIC50": 4.13, "LE": 0.298, "potency_term": 0.011, "efficiency_cap": 0.993}, "selectivity": {"fold": 1.0, "selectivity_term": 0.004, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.595, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.75, "ld50-zhu": 0.458, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.54, "novelty": 0.46}, "synthesis": {"sa_score": 1.73}}, "run": {"gpu": "3", "pAct_q10": 4.5059788324334304, "aff_pf": 1.8685141404469807, "aff_hs": 1.8758912483851116, "repeats_pf": {"runs": 3, "values": [1.8062, 1.9451, 1.8542], "mean": 1.8685, "spread": 0.1389}, "repeats_hs": {"runs": 3, "values": [1.8022, 1.9919, 1.8335], "mean": 1.8759, "spread": 0.1896}, "at": 1786885124}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875245, "scored_at": 1786885124, "alerts": [], "rank": 6171}, {"candidate_id": "ODC-B0D2D7", "res_at": 1787946840, "skeleton": "DZVXHZSKHXFTAR", "hf_user": "dlghkdueo", "display_name": "SOMANG-A6", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cnn12", "total": 4.041, "axes": {"activity": 1.91, "binding": 0.81, "selectivity": 0.0, "admet": 0.55, "novelty": 0.44, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.42, "fraction": 0.064}, "binding": {"pIC50": 5.12, "LE": 0.305, "potency_term": 0.041, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.041}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.303, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.476, "cyp3a4-substrate-carbonmangels": 0.669, "ld50-zhu": 0.435, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 4.420297260001191, "aff_pf": 0.8778987328211466, "aff_hs": 0.4747750461101532, "repeats_pf": {"runs": 3, "values": [0.9684, 0.8041, 0.8612], "mean": 0.8779, "spread": 0.1644}, "repeats_hs": {"runs": 3, "values": [0.4866, 0.4227, 0.5151], "mean": 0.4748, "spread": 0.0924}, "at": 1787946840}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936631, "scored_at": 1787946840, "alerts": [], "rank": 6172}, {"candidate_id": "Brequinar", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 4.04, "tier": 1, "axes": {"activity": 2.58, "binding": 0.0, "selectivity": 0.0, "admet": 0.47, "novelty": 0.56, "synthesis": 0.43}, "detail": {"activity": {"pAct_q10": 4.755, "fraction": 0.086}, "binding": {"reason": "도킹 없음"}, "selectivity": {"reason": "쌍 측정 없음"}, "admet": {"geometric_mean": 0.363, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.714, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.766, "cyp2c9-veith": 0.696, "cyp3a4-substrate-carbonmangels": 0.88, "ld50-zhu": 0.271, "herg": 0.115, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.06}}, "note": "사람 DHODH를 억제한다 — 표적이 반대 (선택성 반례)", "note_en": "inhibits the human enzyme, not the parasite's (counter-control)", "rank": null}, {"candidate_id": "ODC-B12E2E", "res_at": 1786884352, "skeleton": "DPZJCEADJIGIMS", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 4.026, "axes": {"activity": 2.42, "binding": 0.27, "selectivity": 0.0, "admet": 0.56, "novelty": 0.38, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.513, "fraction": 0.081}, "binding": {"pIC50": 4.2, "LE": 0.32, "potency_term": 0.014, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.103, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.464, "per_endpoint": {"solubility-aqsoldb": 0.682, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.201, "ld50-zhu": 0.206, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.533, "novelty": 0.467}, "synthesis": {"sa_score": 1.52}}, "run": {"gpu": "3", "pAct_q10": 4.5133399641216565, "aff_pf": 1.7991693019866943, "aff_hs": 2.0056281884511313, "repeats_pf": {"runs": 3, "values": [1.8022, 1.7762, 1.8192], "mean": 1.7992, "spread": 0.043}, "repeats_hs": {"runs": 3, "values": [1.9404, 2.1158, 1.9607], "mean": 2.0056, "spread": 0.1755}, "at": 1786884352}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875233, "scored_at": 1786884352, "alerts": [], "rank": 6173}, {"candidate_id": "ODC-C43217", "res_at": 1788075950, "skeleton": "SEAJBCQRNRRMEP", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cnn12", "total": 4.022, "axes": {"activity": 1.53, "binding": 1.32, "selectivity": 0.0, "admet": 0.52, "novelty": 0.32, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.33, "fraction": 0.051}, "binding": {"pIC50": 4.83, "LE": 0.331, "potency_term": 0.066, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.434, "caco2-wang": 0.995, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.966, "cyp3a4-substrate-carbonmangels": 0.321, "ld50-zhu": 0.148, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.51, "novelty": 0.49}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "0", "pAct_q10": 4.329534127207434, "aff_pf": 1.165621042251587, "aff_hs": 0.6419638196627299, "repeats_pf": {"runs": 3, "values": [1.0494, 1.1646, 1.2829], "mean": 1.1656, "spread": 0.2335}, "repeats_hs": {"runs": 3, "values": [0.5552, 0.629, 0.7417], "mean": 0.642, "spread": 0.1864}, "at": 1788075950}, "tier": 1, "alerts": [], "total_sd": 0.359, "total_ci95": [3.581, 4.864], "relegate_reason": [], "submitted_at": 1788028853, "scored_at": 1788075950, "rank": 6174}, {"candidate_id": "ODC-9FAE73", "res_at": 1787291889, "skeleton": "JUKCEKNLEPNAQN", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········c2)o1", "total": 4.019, "axes": {"activity": 2.19, "binding": 0.29, "selectivity": 0.0, "admet": 0.66, "novelty": 0.51, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.474, "fraction": 0.073}, "binding": {"pIC50": 4.23, "LE": 0.322, "potency_term": 0.015, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.565, "cyp3a4-substrate-carbonmangels": 0.118, "ld50-zhu": 0.343, "herg": 0.799, "dili": 0.838}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.46}}, "run": {"gpu": "3", "pAct_q10": 4.47350838122247, "aff_pf": 1.7668071190516155, "aff_hs": 1.633791208267212, "repeats_pf": {"runs": 3, "values": [1.704, 1.8137, 1.7828], "mean": 1.7668, "spread": 0.1097}, "repeats_hs": {"runs": 3, "values": [1.6087, 1.4845, 1.8081], "mean": 1.6338, "spread": 0.3236}, "at": 1787291889}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290789, "scored_at": 1787291889, "alerts": [], "rank": 6175}, {"candidate_id": "ODC-D3BD1F", "res_at": 1787871809, "skeleton": "RZCZIFJSZMIIPC", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········F)CC1", "total": 4.007, "axes": {"activity": 1.07, "binding": 1.28, "selectivity": 0.19, "admet": 0.76, "novelty": 0.45, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.189, "fraction": 0.036}, "binding": {"pIC50": 5.19, "LE": 0.339, "potency_term": 0.064, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.15, "target_engagement": 0.064}, "admet": {"geometric_mean": 0.789, "per_endpoint": {"solubility-aqsoldb": 0.744, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.442, "ld50-zhu": 0.771, "herg": 1.0, "dili": 0.229}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 4.188508388201969, "aff_pf": 0.8084076245625814, "aff_hs": 1.1075092156728108, "repeats_pf": {"runs": 3, "values": [0.9873, 0.737, 0.7009], "mean": 0.8084, "spread": 0.2864}, "repeats_hs": {"runs": 3, "values": [1.1274, 1.0578, 1.1373], "mean": 1.1075, "spread": 0.0796}, "at": 1787864316}, "tier": 1, "relegate_reason": [], "submitted_at": 1787812188, "scored_at": 1787864316, "alerts": [], "rank": 6176}, {"candidate_id": "ODC-20463B", "res_at": 1787163467, "skeleton": "HYRQLZRSUCSIHY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W4", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········F)cc1", "total": 3.978, "axes": {"activity": 1.33, "binding": 1.33, "selectivity": 0.0, "admet": 0.56, "novelty": 0.42, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.275, "fraction": 0.044}, "binding": {"pIC50": 4.84, "LE": 0.301, "potency_term": 0.067, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.564, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.904, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.705, "ld50-zhu": 0.723, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 4.2753625078990805, "aff_pf": 1.16269056002299, "aff_hs": 0.9878565470377604, "repeats_pf": {"runs": 3, "values": [1.1882, 1.097, 1.2028], "mean": 1.1627, "spread": 0.1058}, "repeats_hs": {"runs": 3, "values": [1.1024, 0.9396, 0.9215], "mean": 0.9879, "spread": 0.1809}, "at": 1787163467}, "tier": 1, "relegate_reason": [], "submitted_at": 1787152162, "scored_at": 1787163467, "alerts": [], "rank": 6177}, {"candidate_id": "ODC-7A3D49", "res_at": 1786806111, "skeleton": "GETZTFOXMXDGPW", "hf_user": "sunglee", "display_name": "semantic-os PfDHODH scaffold-hop thiazole-pyridyl", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········)nc1C", "total": 3.977, "axes": {"activity": 2.24, "binding": 0.43, "selectivity": 0.0, "admet": 0.65, "novelty": 0.28, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.484, "fraction": 0.075}, "binding": {"pIC50": 4.39, "LE": 0.334, "potency_term": 0.022, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.594, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.56, "cyp3a4-substrate-carbonmangels": 0.489, "ld50-zhu": 0.238, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.63, "novelty": 0.37}, "synthesis": {"sa_score": 2.11}}, "run": {"gpu": "3", "pAct_q10": 4.483776869482212, "aff_pf": 1.6114672819773357, "aff_hs": 1.3154900471369426, "repeats_pf": {"runs": 3, "values": [1.6267, 1.5219, 1.6859], "mean": 1.6115, "spread": 0.164}, "repeats_hs": {"runs": 3, "values": [1.3873, 1.3176, 1.2416], "mean": 1.3155, "spread": 0.1457}, "at": 1786806111}, "tier": 1, "relegate_reason": [], "submitted_at": 1786788517, "scored_at": 1786806111, "alerts": [], "rank": 6178}, {"candidate_id": "ODC-E5BCA2", "res_at": 1787146991, "skeleton": "AXZMDOWQOGVZMH", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········3)cc1", "total": 3.931, "axes": {"activity": 0.99, "binding": 1.47, "selectivity": 0.0, "admet": 0.7, "novelty": 0.42, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.155, "fraction": 0.033}, "binding": {"pIC50": 4.88, "LE": 0.371, "potency_term": 0.073, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.632, "per_endpoint": {"solubility-aqsoldb": 0.386, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.705, "cyp3a4-substrate-carbonmangels": 0.736, "ld50-zhu": 0.557, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 4.15462786781445, "aff_pf": 1.12392258644104, "aff_hs": 1.0880237817764282, "repeats_pf": {"runs": 3, "values": [1.1672, 1.0982, 1.1063], "mean": 1.1239, "spread": 0.0689}, "repeats_hs": {"runs": 3, "values": [1.0465, 1.1587, 1.0589], "mean": 1.088, "spread": 0.1122}, "at": 1787146991}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143307, "scored_at": 1787146991, "alerts": [], "rank": 6179}, {"candidate_id": "ODC-17CD91", "res_at": 1786896462, "skeleton": "SJXXYBVDNMIRIN", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········cc2o1", "total": 3.926, "axes": {"activity": 2.12, "binding": 0.31, "selectivity": 0.0, "admet": 0.62, "novelty": 0.51, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.462, "fraction": 0.071}, "binding": {"pIC50": 5.05, "LE": 0.346, "potency_term": 0.016, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.016}, "admet": {"geometric_mean": 0.586, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.884, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.409, "cyp3a4-substrate-carbonmangels": 0.637, "ld50-zhu": 0.722, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "2", "pAct_q10": 4.4616378433230945, "aff_pf": 0.9531334241231283, "aff_hs": 0.42966078718503314, "repeats_pf": {"runs": 3, "values": [0.9873, 0.9968, 0.8753], "mean": 0.9531, "spread": 0.1215}, "repeats_hs": {"runs": 3, "values": [0.3578, 0.4787, 0.4525], "mean": 0.4297, "spread": 0.1209}, "at": 1786896462}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891845, "scored_at": 1786896462, "alerts": [], "rank": 6180}, {"candidate_id": "ODC-954571", "res_at": 1787339062, "skeleton": "BJNIDRIODFRANM", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "250-300", "visibility": "public", "smiles": "Cc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(F)cc2)n1", "smiles_masked": null, "total": 3.916, "axes": {"activity": 2.37, "binding": 0.15, "selectivity": 0.0, "admet": 0.47, "novelty": 0.53, "synthesis": 0.39}, "detail": {"activity": {"pAct_q10": 4.742, "fraction": 0.079}, "binding": {"pIC50": 4.02, "LE": 0.262, "potency_term": 0.009, "efficiency_cap": 0.875}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.181, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 4.7420378670536865, "aff_pf": 1.9776781400044758, "aff_hs": 1.3878943125406902, "repeats_pf": {"runs": 3, "values": [1.9357, 1.9801, 2.0173], "mean": 1.9777, "spread": 0.0816}, "repeats_hs": {"runs": 3, "values": [1.212, 1.4302, 1.5215], "mean": 1.3879, "spread": 0.3095}, "at": 1787339062}, "tier": 1, "relegate_reason": [], "submitted_at": 1787338845, "scored_at": 1787339062, "alerts": [], "rank": 6181}, {"candidate_id": "ODC-E11FA1", "res_at": 1788265978, "skeleton": "OYDVLLHGOKJOPK", "hf_user": "silversongq", "display_name": "silversongq", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········ccn12", "total": 3.911, "axes": {"activity": 0.72, "binding": 1.66, "selectivity": 0.0, "admet": 0.62, "novelty": 0.53, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.643, "fraction": 0.024}, "binding": {"pIC50": 4.96, "LE": 0.272, "potency_term": 0.091, "efficiency_cap": 0.907}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.572, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.773, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.255, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 4.642931653403204, "aff_pf": 1.0361629327138264, "aff_hs": 1.2095146576563518, "repeats_pf": {"runs": 3, "values": [0.973, 1.0776, 1.0578], "mean": 1.0362, "spread": 0.1046}, "repeats_hs": {"runs": 3, "values": [1.1732, 1.3375, 1.1179], "mean": 1.2095, "spread": 0.2195}, "at": 1788265978}, "tier": 1, "alerts": [], "total_sd": 0.51, "total_ci95": [1.347, 4.227], "relegate_reason": [], "submitted_at": 1788225540, "scored_at": 1788265978, "rank": 6182}, {"candidate_id": "ODC-C693A5", "res_at": 1786888790, "skeleton": "WMQUYEAXNKGGQE", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccsc1", "total": 3.865, "axes": {"activity": 2.05, "binding": 0.46, "selectivity": 0.0, "admet": 0.61, "novelty": 0.41, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.447, "fraction": 0.068}, "binding": {"pIC50": 4.41, "LE": 0.403, "potency_term": 0.023, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.596, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.605, "cyp3a4-substrate-carbonmangels": 0.938, "ld50-zhu": 0.208, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.395, "novelty": 0.605}, "synthesis": {"sa_score": 1.65}}, "run": {"gpu": "3", "pAct_q10": 4.446774455913004, "aff_pf": 1.5904362201690674, "aff_hs": 1.3599967161814372, "repeats_pf": {"runs": 3, "values": [1.6521, 1.5914, 1.5278], "mean": 1.5904, "spread": 0.1243}, "repeats_hs": {"runs": 3, "values": [1.3562, 1.3676, 1.3561], "mean": 1.36, "spread": 0.0115}, "at": 1786888790}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875299, "scored_at": 1786888790, "alerts": [], "rank": 6183}, {"candidate_id": "ODC-719B56", "res_at": 1787464252, "skeleton": "VUEFDSLBQXCZRD", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nccc··········Cl)c1", "total": 3.859, "axes": {"activity": 1.83, "binding": 0.93, "selectivity": 0.0, "admet": 0.48, "novelty": 0.32, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.402, "fraction": 0.061}, "binding": {"pIC50": 4.69, "LE": 0.357, "potency_term": 0.046, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.208, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.573, "cyp3a4-substrate-carbonmangels": 0.11, "ld50-zhu": 0.349, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.468, "novelty": 0.532}, "synthesis": {"sa_score": 1.87}}, "run": {"gpu": "3", "pAct_q10": 4.402082995513016, "aff_pf": 1.3081440130869548, "aff_hs": 1.7243548234303792, "repeats_pf": {"runs": 3, "values": [1.3058, 1.3562, 1.2624], "mean": 1.3081, "spread": 0.0938}, "repeats_hs": {"runs": 3, "values": [1.7594, 1.8462, 1.5675], "mean": 1.7244, "spread": 0.2787}, "at": 1787464252}, "tier": 1, "relegate_reason": [], "submitted_at": 1787463690, "scored_at": 1787464252, "alerts": [], "rank": 6184}, {"candidate_id": "ODC-E7B8B4", "res_at": 1787271125, "skeleton": "KBGHTAPCLOETLE", "hf_user": "dominicDK94", "display_name": "domi", "model_name": "opus5", "mw_band": "300-350", "visibility": "public", "smiles": "O=S(=O)(c1ccccc1)c1ccc(CC2CCCC2)cc1O", "smiles_masked": null, "total": 3.83, "axes": {"activity": 1.9, "binding": 0.63, "selectivity": 0.0, "admet": 0.56, "novelty": 0.42, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.417, "fraction": 0.063}, "binding": {"pIC50": 4.56, "LE": 0.284, "potency_term": 0.033, "efficiency_cap": 0.947}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.587, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.922, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.117, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.355, "herg": 0.406, "dili": 0.314}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "3", "pAct_q10": 4.4173274474279856, "aff_pf": 1.4382340908050537, "aff_hs": 1.1505524317423503, "repeats_pf": {"runs": 3, "values": [1.5454, 1.3794, 1.39], "mean": 1.4382, "spread": 0.166}, "repeats_hs": {"runs": 3, "values": [1.2157, 0.9525, 1.2834], "mean": 1.1506, "spread": 0.3309}, "at": 1787271125}, "tier": 1, "relegate_reason": [], "submitted_at": 1787269837, "scored_at": 1787271125, "alerts": [], "rank": 6185}, {"candidate_id": "ODC-2A9959", "res_at": 1786868532, "skeleton": "GYVUMSZZQLMSTD", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1C2O··········C1CC1", "total": 3.827, "axes": {"activity": 2.17, "binding": 0.01, "selectivity": 0.0, "admet": 0.92, "novelty": 0.53, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.471, "fraction": 0.072}, "binding": {"pIC50": 5.0, "LE": 0.311, "potency_term": 0.001, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.066, "target_engagement": 0.001}, "admet": {"geometric_mean": 0.845, "per_endpoint": {"solubility-aqsoldb": 0.675, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.883, "ld50-zhu": 0.631, "herg": 0.76, "dili": 0.96}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "2", "pAct_q10": 4.4706447393661035, "aff_pf": 0.9983870585759481, "aff_hs": 1.1303799152374268, "repeats_pf": {"runs": 3, "values": [1.0306, 0.9453, 1.0193], "mean": 0.9984, "spread": 0.0853}, "repeats_hs": {"runs": 3, "values": [1.1844, 1.11, 1.0967], "mean": 1.1304, "spread": 0.0876}, "at": 1786868532}, "tier": 1, "relegate_reason": [], "submitted_at": 1786859439, "scored_at": 1786868532, "alerts": [], "rank": 6186}, {"candidate_id": "ODC-B1CE1E", "res_at": 1787871766, "skeleton": "LTJYSSXBUXOFPO", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 3.826, "axes": {"activity": 1.54, "binding": 1.07, "selectivity": 0.0, "admet": 0.62, "novelty": 0.38, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.334, "fraction": 0.051}, "binding": {"pIC50": 5.16, "LE": 0.321, "potency_term": 0.054, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.054}, "admet": {"geometric_mean": 0.778, "per_endpoint": {"solubility-aqsoldb": 0.797, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.669, "herg": 0.839, "dili": 0.244}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "0", "pAct_q10": 4.334141570685533, "aff_pf": 0.8394872347513834, "aff_hs": 0.46846267580986023, "repeats_pf": {"runs": 3, "values": [0.8842, 0.7525, 0.8817], "mean": 0.8395, "spread": 0.1317}, "repeats_hs": {"runs": 3, "values": [0.5007, 0.4854, 0.4194], "mean": 0.4685, "spread": 0.0813}, "at": 1787863856}, "tier": 1, "relegate_reason": [], "submitted_at": 1787812169, "scored_at": 1787863856, "alerts": [], "rank": 6187}, {"candidate_id": "ODC-CDCA1A", "res_at": 1787195388, "skeleton": "DZWBPZGSBLZPBY", "hf_user": "hansu99", "display_name": "R0K", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnn12", "total": 3.825, "axes": {"activity": 0.89, "binding": 1.48, "selectivity": 0.26, "admet": 0.59, "novelty": 0.23, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 4.653, "fraction": 0.03}, "binding": {"pIC50": 5.22, "LE": 0.325, "potency_term": 0.074, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.074}, "admet": {"geometric_mean": 0.536, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.88, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.715, "cyp3a4-substrate-carbonmangels": 0.22, "ld50-zhu": 0.389, "herg": 0.661, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 4.6534161130307865, "aff_pf": 0.7779022256533304, "aff_hs": 1.1328320105870564, "repeats_pf": {"runs": 3, "values": [0.7869, 0.7181, 0.8286], "mean": 0.7779, "spread": 0.1105}, "repeats_hs": {"runs": 3, "values": [1.1635, 1.0656, 1.1694], "mean": 1.1328, "spread": 0.1037}, "at": 1787195388}, "tier": 1, "relegate_reason": [], "submitted_at": 1787192181, "scored_at": 1787195388, "alerts": [], "rank": 6188}, {"candidate_id": "ODC-6415B3", "res_at": 1786889740, "skeleton": "NXZKLSOQZLZYNH", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 3.818, "axes": {"activity": 2.05, "binding": 0.41, "selectivity": 0.0, "admet": 0.66, "novelty": 0.36, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.447, "fraction": 0.068}, "binding": {"pIC50": 4.36, "LE": 0.374, "potency_term": 0.02, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.644, "per_endpoint": {"solubility-aqsoldb": 0.609, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.993, "cyp3a4-substrate-carbonmangels": 0.489, "ld50-zhu": 0.389, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.465, "novelty": 0.535}, "synthesis": {"sa_score": 1.94}}, "run": {"gpu": "3", "pAct_q10": 4.4469670955266025, "aff_pf": 1.6366268396377563, "aff_hs": 1.626072883605957, "repeats_pf": {"runs": 3, "values": [1.5727, 1.7931, 1.5441], "mean": 1.6366, "spread": 0.249}, "repeats_hs": {"runs": 3, "values": [1.5982, 1.6942, 1.5858], "mean": 1.6261, "spread": 0.1084}, "at": 1786889740}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875326, "scored_at": 1786889740, "alerts": [], "rank": 6189}, {"candidate_id": "ODC-8377BC", "res_at": 1786882655, "skeleton": "WCFSFKDHHPBFFV", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccoc1", "total": 3.78, "axes": {"activity": 2.0, "binding": 0.43, "selectivity": 0.0, "admet": 0.66, "novelty": 0.35, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.438, "fraction": 0.067}, "binding": {"pIC50": 4.38, "LE": 0.4, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.663, "per_endpoint": {"solubility-aqsoldb": 0.694, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.806, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.331, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 1.74}}, "run": {"gpu": "2", "pAct_q10": 4.438149511662547, "aff_pf": 1.6157787640889485, "aff_hs": 1.1093318859736125, "repeats_pf": {"runs": 3, "values": [1.6331, 1.6222, 1.592], "mean": 1.6158, "spread": 0.0411}, "repeats_hs": {"runs": 3, "values": [1.102, 1.1424, 1.0836], "mean": 1.1093, "spread": 0.0588}, "at": 1786882655}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875316, "scored_at": 1786882655, "alerts": [], "rank": 6190}, {"candidate_id": "ODC-238FE2", "res_at": 1787292075, "skeleton": "PZPBYSRFFALBGA", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········C2)o1", "total": 3.77, "axes": {"activity": 0.06, "binding": 1.71, "selectivity": 0.21, "admet": 0.77, "novelty": 0.62, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.603, "fraction": 0.002}, "binding": {"pIC50": 5.26, "LE": 0.36, "potency_term": 0.086, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.086}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 0.527, "caco2-wang": 0.751, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.748, "cyp3a4-substrate-carbonmangels": 0.07, "ld50-zhu": 0.528, "herg": 0.357, "dili": 0.611}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 4.603406088265118, "aff_pf": 0.7428735097249349, "aff_hs": 0.9892226854960123, "repeats_pf": {"runs": 3, "values": [0.7709, 0.7081, 0.7496], "mean": 0.7429, "spread": 0.0628}, "repeats_hs": {"runs": 3, "values": [0.9888, 0.9379, 1.041], "mean": 0.9892, "spread": 0.1031}, "at": 1787292075}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290802, "scored_at": 1787292075, "alerts": [], "rank": 6191}, {"candidate_id": "ODC-A06E3B", "res_at": 1787148873, "skeleton": "ZKFGWNJWYFMDMV", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "250-300", "visibility": "public", "smiles": "NC(=O)Nc1nc(-c2ccoc2)c2ccccc2n1", "smiles_masked": null, "total": 3.76, "axes": {"activity": 1.34, "binding": 1.21, "selectivity": 0.0, "admet": 0.54, "novelty": 0.36, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.279, "fraction": 0.045}, "binding": {"pIC50": 4.8, "LE": 0.346, "potency_term": 0.061, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.146, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.594, "per_endpoint": {"solubility-aqsoldb": 0.629, "caco2-wang": 0.753, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.19, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.278562789657826, "aff_pf": 1.2006208896636963, "aff_hs": 1.4930744568506877, "repeats_pf": {"runs": 3, "values": [1.2257, 1.1054, 1.2708], "mean": 1.2006, "spread": 0.1654}, "repeats_hs": {"runs": 3, "values": [1.4919, 1.3661, 1.6212], "mean": 1.4931, "spread": 0.2551}, "at": 1787148873}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145347, "scored_at": 1787148873, "alerts": [], "rank": 6192}, {"candidate_id": "ODC-8C729C", "res_at": 1787918037, "skeleton": "KTNICTUQHKSEEB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········ccc1F", "total": 3.718, "axes": {"activity": 2.01, "binding": 0.23, "selectivity": 0.05, "admet": 0.67, "novelty": 0.42, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.439, "fraction": 0.067}, "binding": {"pIC50": 5.04, "LE": 0.328, "potency_term": 0.012, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.226, "target_engagement": 0.012}, "admet": {"geometric_mean": 0.666, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.887, "cyp3a4-substrate-carbonmangels": 0.826, "ld50-zhu": 0.513, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 4.438833141877801, "aff_pf": 0.9649348855018616, "aff_hs": 1.4174342155456543, "repeats_pf": {"runs": 3, "values": [1.0196, 0.9342, 0.9411], "mean": 0.9649, "spread": 0.0854}, "repeats_hs": {"runs": 3, "values": [1.5398, 1.3387, 1.3738], "mean": 1.4174, "spread": 0.2011}, "at": 1787918037}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898868, "scored_at": 1787918037, "alerts": [], "rank": 6193}, {"candidate_id": "ODC-704740", "res_at": 1786837782, "skeleton": "BSKOLXVKDRXNKI", "hf_user": "scala39", "display_name": "Scala", "model_name": "OpenAI GPT-5.6 Pro", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCNCc1··········2nn1C", "total": 3.689, "axes": {"activity": 2.0, "binding": 0.5, "selectivity": 0.0, "admet": 0.61, "novelty": 0.28, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.438, "fraction": 0.067}, "binding": {"pIC50": 4.46, "LE": 0.291, "potency_term": 0.026, "efficiency_cap": 0.969}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.613, "per_endpoint": {"solubility-aqsoldb": 0.952, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.951, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.436, "herg": 0.087, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.583, "novelty": 0.417}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "2", "pAct_q10": 4.437870509963192, "aff_pf": 1.5428929726282756, "aff_hs": 1.4051957925160725, "repeats_pf": {"runs": 3, "values": [1.6953, 1.6111, 1.3223], "mean": 1.5429, "spread": 0.373}, "repeats_hs": {"runs": 3, "values": [1.4254, 1.4435, 1.3467], "mean": 1.4052, "spread": 0.0968}, "at": 1786837782}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804671, "scored_at": 1786837782, "alerts": [], "rank": 6194}, {"candidate_id": "ODC-3D94A1", "res_at": 1786960420, "skeleton": "VYMNXAZWKOGMCA", "hf_user": "PhD-Shin", "display_name": "PhD-Shin B4", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········ccnc1", "total": 3.682, "axes": {"activity": 0.52, "binding": 1.41, "selectivity": 0.58, "admet": 0.44, "novelty": 0.45, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.631, "fraction": 0.017}, "binding": {"pIC50": 5.3, "LE": 0.213, "potency_term": 0.099, "efficiency_cap": 0.711}, "selectivity": {"fold": 3.9, "selectivity_term": 0.294, "target_engagement": 0.099}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.917, "caco2-wang": 0.291, "hia-hou": 1.0, "bioavailability-ma": 0.172, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.534, "ld50-zhu": 0.314, "herg": 0.126, "dili": 0.156}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 4.63146010392335, "aff_pf": 0.7030722896258036, "aff_hs": 1.2902762095133464, "repeats_pf": {"runs": 3, "values": [0.7564, 0.5842, 0.7686], "mean": 0.7031, "spread": 0.1844}, "repeats_hs": {"runs": 3, "values": [1.2528, 1.2986, 1.3194], "mean": 1.2903, "spread": 0.0666}, "at": 1786960420}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958981, "scored_at": 1786960420, "alerts": [], "rank": 6195}, {"candidate_id": "ODC-5BB4A3", "res_at": 1786896824, "skeleton": "PLUUFHLSRFENFD", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········O)n1C", "total": 3.664, "axes": {"activity": 1.61, "binding": 0.9, "selectivity": 0.0, "admet": 0.52, "novelty": 0.38, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.696, "fraction": 0.054}, "binding": {"pIC50": 4.68, "LE": 0.305, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.555, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.952, "cyp3a4-substrate-carbonmangels": 0.812, "ld50-zhu": 0.378, "herg": 0.765, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "2", "pAct_q10": 4.696444192454995, "aff_pf": 1.3198670943578084, "aff_hs": 1.041552464167277, "repeats_pf": {"runs": 3, "values": [1.3354, 1.2888, 1.3354], "mean": 1.3199, "spread": 0.0467}, "repeats_hs": {"runs": 3, "values": [1.0565, 1.0483, 1.0199], "mean": 1.0416, "spread": 0.0366}, "at": 1786896824}, "tier": 1, "relegate_reason": [], "submitted_at": 1786891997, "scored_at": 1786896824, "alerts": [], "rank": 6196}, {"candidate_id": "ODC-6C0C82", "res_at": 1787912567, "skeleton": "VDKPZDYQFYMSGZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········ccc1F", "total": 3.66, "axes": {"activity": 2.09, "binding": 0.07, "selectivity": 0.0, "admet": 0.67, "novelty": 0.49, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.456, "fraction": 0.07}, "binding": {"pIC50": 3.72, "LE": 0.242, "potency_term": 0.004, "efficiency_cap": 0.808}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.639, "per_endpoint": {"solubility-aqsoldb": 0.591, "caco2-wang": 0.937, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.777, "ld50-zhu": 0.317, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 4.4559386169815145, "aff_pf": 2.2834258874257407, "aff_hs": 2.1883841355641684, "repeats_pf": {"runs": 3, "values": [2.2342, 2.3339, 2.2822], "mean": 2.2834, "spread": 0.0997}, "repeats_hs": {"runs": 3, "values": [2.0953, 2.2355, 2.2344], "mean": 2.1884, "spread": 0.1401}, "at": 1787912567}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898836, "scored_at": 1787912567, "alerts": [], "rank": 6197}, {"candidate_id": "ODC-1C4A5C", "res_at": 1786844818, "skeleton": "RXGQRDXJNUVELQ", "hf_user": "1Dmeds", "display_name": "Woongi", "model_name": "Claude + RDKit grid", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nc(Nc2ccc(Br)c(F)c2)c2nc(C(F)(F)F)n(C)c2n1", "smiles_masked": null, "total": 3.655, "axes": {"activity": 1.69, "binding": 0.92, "selectivity": 0.0, "admet": 0.41, "novelty": 0.37, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.702, "fraction": 0.056}, "binding": {"pIC50": 5.14, "LE": 0.293, "potency_term": 0.047, "efficiency_cap": 0.978}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.047}, "admet": {"geometric_mean": 0.483, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.861, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.31, "ld50-zhu": 0.549, "herg": 0.205, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.72}}, "run": {"gpu": "1", "pAct_q10": 4.7015109140681925, "aff_pf": 0.8592798709869385, "aff_hs": 0.7570075591405233, "repeats_pf": {"runs": 3, "values": [0.8149, 0.962, 0.801], "mean": 0.8593, "spread": 0.161}, "repeats_hs": {"runs": 3, "values": [0.7607, 0.7547, 0.7556], "mean": 0.757, "spread": 0.0061}, "at": 1786844818}, "tier": 1, "relegate_reason": [], "submitted_at": 1786833064, "scored_at": 1786844818, "alerts": [], "rank": 6198}, {"candidate_id": "ODC-182FF9", "res_at": 1787871591, "skeleton": "XQZXKTPWXAAQTP", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CNC··········)CCC1", "total": 3.653, "axes": {"activity": 1.67, "binding": 0.77, "selectivity": 0.0, "admet": 0.59, "novelty": 0.41, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.367, "fraction": 0.056}, "binding": {"pIC50": 5.11, "LE": 0.319, "potency_term": 0.038, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.038}, "admet": {"geometric_mean": 0.701, "per_endpoint": {"solubility-aqsoldb": 0.735, "caco2-wang": 0.86, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.194, "ld50-zhu": 0.577, "herg": 0.626, "dili": 0.299}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 4.3665115067363125, "aff_pf": 0.8851662278175354, "aff_hs": 0.6003639499346415, "repeats_pf": {"runs": 3, "values": [0.9768, 0.9799, 0.6989], "mean": 0.8852, "spread": 0.281}, "repeats_hs": {"runs": 3, "values": [0.5876, 0.4402, 0.7733], "mean": 0.6004, "spread": 0.333}, "at": 1787853479}, "tier": 1, "relegate_reason": [], "submitted_at": 1787799704, "scored_at": 1787853479, "alerts": [], "rank": 6199}, {"candidate_id": "ODC-3C9137", "res_at": 1787214582, "skeleton": "UXZPQULOWLMHHJ", "hf_user": "JUNSAM", "display_name": "Ai_Sian", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C1N=C··········2)CN1", "total": 3.625, "axes": {"activity": 0.58, "binding": 1.47, "selectivity": 0.0, "admet": 0.74, "novelty": 0.57, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.635, "fraction": 0.019}, "binding": {"pIC50": 4.88, "LE": 0.334, "potency_term": 0.074, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.665, "per_endpoint": {"solubility-aqsoldb": 0.475, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.485, "cyp3a4-substrate-carbonmangels": 0.318, "ld50-zhu": 0.6, "herg": 0.821, "dili": 0.216}}, "novelty": {"max_tanimoto": 0.222, "novelty": 0.778}, "synthesis": {"sa_score": 3.54}}, "run": {"gpu": "3", "pAct_q10": 4.635093821346503, "aff_pf": 1.1222797234853108, "aff_hs": 0.6482018033663431, "repeats_pf": {"runs": 3, "values": [1.1177, 1.1711, 1.078], "mean": 1.1223, "spread": 0.093}, "repeats_hs": {"runs": 3, "values": [0.6097, 0.6285, 0.7064], "mean": 0.6482, "spread": 0.0967}, "at": 1787214582}, "tier": 1, "relegate_reason": [], "submitted_at": 1787213196, "scored_at": 1787214582, "alerts": [], "rank": 6200}, {"candidate_id": "ODC-69C397", "res_at": 1786886097, "skeleton": "WSJKQVNKRSGJES", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 3.573, "axes": {"activity": 2.16, "binding": 0.05, "selectivity": 0.0, "admet": 0.68, "novelty": 0.32, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.469, "fraction": 0.072}, "binding": {"pIC50": 3.52, "LE": 0.301, "potency_term": 0.002, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.633, "per_endpoint": {"solubility-aqsoldb": 0.739, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.561, "cyp3a4-substrate-carbonmangels": 0.623, "ld50-zhu": 0.332, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.559, "novelty": 0.441}, "synthesis": {"sa_score": 1.47}}, "run": {"gpu": "3", "pAct_q10": 4.468848574192639, "aff_pf": 2.4831337928771973, "aff_hs": 2.277546485265096, "repeats_pf": {"runs": 3, "values": [2.5401, 2.4646, 2.4447], "mean": 2.4831, "spread": 0.0954}, "repeats_hs": {"runs": 3, "values": [2.3678, 2.2735, 2.1913], "mean": 2.2775, "spread": 0.1765}, "at": 1786886097}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875257, "scored_at": 1786886097, "alerts": [], "rank": 6201}, {"candidate_id": "ODC-B567C1", "res_at": 1786969217, "skeleton": "SVVNDQRGZFFVEI", "hf_user": "lasbagas", "display_name": "tonado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 3.573, "axes": {"activity": 1.13, "binding": 1.21, "selectivity": 0.0, "admet": 0.53, "novelty": 0.41, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.668, "fraction": 0.038}, "binding": {"pIC50": 4.82, "LE": 0.287, "potency_term": 0.063, "efficiency_cap": 0.956}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.612, "caco2-wang": 0.953, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.855, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.091, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 4.667595271590935, "aff_pf": 1.1831566294034321, "aff_hs": 0.6651511391003927, "repeats_pf": {"runs": 3, "values": [1.3213, 1.3556, 0.8726], "mean": 1.1832, "spread": 0.483}, "repeats_hs": {"runs": 3, "values": [0.6132, 0.5524, 0.8299], "mean": 0.6652, "spread": 0.2775}, "at": 1786969217}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968627, "scored_at": 1786969217, "alerts": [], "rank": 6202}, {"candidate_id": "ODC-4CEE45", "res_at": 1788077650, "skeleton": "IVTSXPRARCCLJU", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2s1", "total": 3.568, "axes": {"activity": 1.92, "binding": 0.42, "selectivity": 0.0, "admet": 0.54, "novelty": 0.37, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.422, "fraction": 0.064}, "binding": {"pIC50": 4.37, "LE": 0.315, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.465, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.915, "ld50-zhu": 0.249, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "0", "pAct_q10": 4.422330107160669, "aff_pf": 1.625686486562093, "aff_hs": 1.3553297122319539, "repeats_pf": {"runs": 3, "values": [1.6403, 1.6422, 1.5946], "mean": 1.6257, "spread": 0.0477}, "repeats_hs": {"runs": 3, "values": [1.5136, 1.3744, 1.178], "mean": 1.3553, "spread": 0.3356}, "at": 1788077650}, "tier": 1, "alerts": [], "total_sd": 0.013, "total_ci95": [3.551, 3.602], "relegate_reason": [], "submitted_at": 1788028908, "scored_at": 1788077650, "rank": 6203}, {"candidate_id": "ODC-B70ACB", "res_at": 1787871778, "skeleton": "DOYAZTWJFKXEIO", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········F)CC1", "total": 3.55, "axes": {"activity": 1.65, "binding": 0.71, "selectivity": 0.0, "admet": 0.62, "novelty": 0.4, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.36, "fraction": 0.055}, "binding": {"pIC50": 5.11, "LE": 0.318, "potency_term": 0.036, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.036}, "admet": {"geometric_mean": 0.75, "per_endpoint": {"solubility-aqsoldb": 0.767, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.474, "ld50-zhu": 0.685, "herg": 0.655, "dili": 0.211}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.78}}, "run": {"gpu": "0", "pAct_q10": 4.359910748304225, "aff_pf": 0.8931143283843994, "aff_hs": 0.622584601243337, "repeats_pf": {"runs": 3, "values": [0.9343, 0.8249, 0.9202], "mean": 0.8931, "spread": 0.1094}, "repeats_hs": {"runs": 3, "values": [0.6691, 0.5972, 0.6015], "mean": 0.6226, "spread": 0.072}, "at": 1787852557}, "tier": 1, "relegate_reason": [], "submitted_at": 1787796603, "scored_at": 1787852557, "alerts": [], "rank": 6204}, {"candidate_id": "ODC-AE2668", "res_at": 1789501806, "skeleton": "OSFWEJABIHMRJF", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 3.534, "axes": {"activity": 1.94, "binding": 0.12, "selectivity": 0.0, "admet": 0.7, "novelty": 0.44, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.427, "fraction": 0.065}, "binding": {"pIC50": 3.91, "LE": 0.282, "potency_term": 0.007, "efficiency_cap": 0.94}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.718, "per_endpoint": {"solubility-aqsoldb": 0.761, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.848, "cyp3a4-substrate-carbonmangels": 0.214, "ld50-zhu": 0.264, "herg": 0.939, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 4.426635031738635, "aff_pf": 2.0900919437408447, "aff_hs": 1.9278016090393066, "repeats_pf": {"runs": 3, "values": [2.1689, 2.0341, 2.0673], "mean": 2.0901, "spread": 0.1348}, "repeats_hs": {"runs": 3, "values": [2.201, 1.7453, 1.8372], "mean": 1.9278, "spread": 0.4557}, "at": 1789501806}, "tier": 1, "alerts": [], "total_sd": 0.011, "total_ci95": [3.509, 3.554], "relegate_reason": [], "submitted_at": 1789491526, "scored_at": 1789501806, "rank": 6205}, {"candidate_id": "ODC-9C1274", "res_at": 1787158309, "skeleton": "MMUBWKDUGIKSTB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R2", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 3.527, "axes": {"activity": 0.35, "binding": 1.55, "selectivity": 0.0, "admet": 0.93, "novelty": 0.42, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 3.745, "fraction": 0.012}, "binding": {"pIC50": 4.9, "LE": 0.395, "potency_term": 0.077, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.318, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.8, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.718, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.261, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 3.745413364361564, "aff_pf": 1.1031314929326375, "aff_hs": 1.7385938167572021, "repeats_pf": {"runs": 3, "values": [1.0773, 1.1387, 1.0933], "mean": 1.1031, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [1.9539, 1.604, 1.6579], "mean": 1.7386, "spread": 0.3499}, "at": 1787158309}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148784, "scored_at": 1787158309, "alerts": [], "rank": 6206}, {"candidate_id": "ODC-4AE2F8", "res_at": 1787025681, "skeleton": "GGAXLWGEIPETFQ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOC(=O··········O)OCC", "total": 3.526, "axes": {"activity": 1.59, "binding": 0.99, "selectivity": 0.0, "admet": 0.46, "novelty": 0.23, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.345, "fraction": 0.053}, "binding": {"pIC50": 4.77, "LE": 0.262, "potency_term": 0.057, "efficiency_cap": 0.872}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.627, "caco2-wang": 0.98, "hia-hou": 1.0, "bioavailability-ma": 0.864, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.658, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.095, "herg": 0.194, "dili": 0.829}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.345028571569601, "aff_pf": 1.2272797028223674, "aff_hs": 1.2200952370961506, "repeats_pf": {"runs": 3, "values": [1.2145, 1.2179, 1.2494], "mean": 1.2273, "spread": 0.0349}, "repeats_hs": {"runs": 3, "values": [1.2263, 1.1699, 1.264], "mean": 1.2201, "spread": 0.0941}, "at": 1787025681}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787025148, "scored_at": 1787025681, "rank": 6207}, {"candidate_id": "ODC-861341", "res_at": 1787213576, "skeleton": "RTBIFXYDEDTZAI", "hf_user": "JUNSAM", "display_name": "Ai_Sian", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········2)no1", "total": 3.512, "axes": {"activity": 1.52, "binding": 0.9, "selectivity": 0.0, "admet": 0.53, "novelty": 0.36, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.328, "fraction": 0.051}, "binding": {"pIC50": 5.14, "LE": 0.414, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.703, "per_endpoint": {"solubility-aqsoldb": 0.722, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.44, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 4.328227927722784, "aff_pf": 0.8647430737813314, "aff_hs": 0.18373040358225504, "repeats_pf": {"runs": 3, "values": [0.6339, 1.2751, 0.6853], "mean": 0.8647, "spread": 0.6412}, "repeats_hs": {"runs": 3, "values": [0.1493, 0.2177, 0.1842], "mean": 0.1837, "spread": 0.0684}, "at": 1787213576}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212453, "scored_at": 1787213576, "alerts": [], "rank": 6208}, {"candidate_id": "ODC-3A6FDC", "res_at": 1787940823, "skeleton": "VGZPWSBQYCLFBV", "hf_user": "dlghkdueo", "display_name": "SOMANG-B2", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cc(C··········cnc21", "total": 3.498, "axes": {"activity": 1.56, "binding": 0.93, "selectivity": 0.0, "admet": 0.39, "novelty": 0.35, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.339, "fraction": 0.052}, "binding": {"pIC50": 4.73, "LE": 0.27, "potency_term": 0.051, "efficiency_cap": 0.901}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.62, "caco2-wang": 0.763, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.896, "cyp3a4-substrate-carbonmangels": 0.945, "ld50-zhu": 0.061, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "3", "pAct_q10": 4.339229964279009, "aff_pf": 1.2663746277491252, "aff_hs": 1.2108214696248372, "repeats_pf": {"runs": 3, "values": [1.2678, 1.34, 1.1913], "mean": 1.2664, "spread": 0.1487}, "repeats_hs": {"runs": 3, "values": [1.3156, 1.1385, 1.1784], "mean": 1.2108, "spread": 0.1771}, "at": 1787940823}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936742, "scored_at": 1787940823, "alerts": [], "rank": 6209}, {"candidate_id": "ODC-FF5703", "res_at": 1788075258, "skeleton": "BPOOSZMKGJNKIN", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 3.488, "axes": {"activity": 0.48, "binding": 1.48, "selectivity": 0.16, "admet": 0.65, "novelty": 0.34, "synthesis": 0.37}, "detail": {"activity": {"pAct_q10": 3.871, "fraction": 0.016}, "binding": {"pIC50": 5.22, "LE": 0.358, "potency_term": 0.074, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.11, "target_engagement": 0.074}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.382, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.526, "cyp3a4-substrate-carbonmangels": 0.607, "ld50-zhu": 0.36, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.542, "novelty": 0.458}, "synthesis": {"sa_score": 2.09}}, "run": {"gpu": "3", "pAct_q10": 3.8706928188586467, "aff_pf": 0.7776952783266703, "aff_hs": 0.9985732436180115, "repeats_pf": {"runs": 3, "values": [0.7547, 0.8664, 0.712], "mean": 0.7777, "spread": 0.1545}, "repeats_hs": {"runs": 3, "values": [0.9121, 1.064, 1.0195], "mean": 0.9986, "spread": 0.1519}, "at": 1788075258}, "tier": 1, "alerts": [], "total_sd": 0.495, "total_ci95": [2.266, 4.263], "relegate_reason": [], "submitted_at": 1788028850, "scored_at": 1788075258, "rank": 6210}, {"candidate_id": "ODC-DCB69E", "res_at": 1787326626, "skeleton": "ISFPLGMINAEFLD", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1c(-c2ccc(C(F)(F)F)cc2)noc1-c1ccc(F)cc1", "smiles_masked": null, "total": 3.48, "axes": {"activity": 1.92, "binding": 0.51, "selectivity": 0.0, "admet": 0.3, "novelty": 0.43, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.715, "fraction": 0.064}, "binding": {"pIC50": 4.5, "LE": 0.268, "potency_term": 0.029, "efficiency_cap": 0.894}, "selectivity": {"fold": 2.0, "selectivity_term": 0.152, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.411, "cyp2c9-veith": 0.426, "cyp3a4-substrate-carbonmangels": 0.129, "ld50-zhu": 0.385, "herg": 0.069, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.12}}, "run": {"gpu": "3", "pAct_q10": 4.715066593749884, "aff_pf": 1.4980655113855998, "aff_hs": 1.8016359011332195, "repeats_pf": {"runs": 3, "values": [1.6116, 1.4119, 1.4707], "mean": 1.4981, "spread": 0.1997}, "repeats_hs": {"runs": 3, "values": [1.9037, 1.7725, 1.7287], "mean": 1.8016, "spread": 0.1749}, "at": 1787326626}, "tier": 1, "relegate_reason": [], "submitted_at": 1787324410, "scored_at": 1787326626, "alerts": [], "rank": 6211}, {"candidate_id": "ODC-FAE596", "res_at": 1787128671, "skeleton": "JMEWHZAORSGZOC", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(C1C··········cc2C1", "total": 3.461, "axes": {"activity": 1.49, "binding": 0.91, "selectivity": 0.0, "admet": 0.51, "novelty": 0.34, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.689, "fraction": 0.05}, "binding": {"pIC50": 4.68, "LE": 0.306, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.692, "per_endpoint": {"solubility-aqsoldb": 0.648, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.818, "cyp3a4-substrate-carbonmangels": 0.342, "ld50-zhu": 0.339, "herg": 0.33, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 2.98}}, "run": {"gpu": "3", "pAct_q10": 4.689174899708411, "aff_pf": 1.3164678017298381, "aff_hs": 0.9750200510025024, "repeats_pf": {"runs": 3, "values": [1.2288, 1.3651, 1.3555], "mean": 1.3165, "spread": 0.1363}, "repeats_hs": {"runs": 3, "values": [0.9668, 0.8141, 1.1441], "mean": 0.975, "spread": 0.33}, "at": 1787128671}, "tier": 1, "relegate_reason": [], "submitted_at": 1787116632, "scored_at": 1787128671, "alerts": [], "rank": 6212}, {"candidate_id": "ODC-DB270E", "res_at": 1787155991, "skeleton": "JIEZHQCUEIPYCB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W2-R1", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········C3)s1", "total": 3.452, "axes": {"activity": 1.68, "binding": 0.62, "selectivity": 0.0, "admet": 0.48, "novelty": 0.4, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.701, "fraction": 0.056}, "binding": {"pIC50": 4.53, "LE": 0.345, "potency_term": 0.031, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.593, "caco2-wang": 0.978, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.934, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.171, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 4.70067811521236, "aff_pf": 1.4696578582127888, "aff_hs": 1.1600115696589153, "repeats_pf": {"runs": 3, "values": [1.4596, 1.397, 1.5523], "mean": 1.4697, "spread": 0.1553}, "repeats_hs": {"runs": 3, "values": [1.1915, 1.0865, 1.2021], "mean": 1.16, "spread": 0.1157}, "at": 1787155991}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148121, "scored_at": 1787155991, "alerts": [], "rank": 6213}, {"candidate_id": "ODC-1FABF1", "res_at": 1788784120, "skeleton": "CNXMQXABMDEEIF", "hf_user": "trblnfxn", "display_name": "eabaracus", "model_name": "Hermes Agent + RDKit MPO Pipeline", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NS(··········cc2c1", "total": 3.446, "axes": {"activity": 1.8, "binding": 0.51, "selectivity": 0.03, "admet": 0.43, "novelty": 0.37, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.708, "fraction": 0.06}, "binding": {"pIC50": 5.09, "LE": 0.268, "potency_term": 0.029, "efficiency_cap": 0.893}, "selectivity": {"fold": 1.2, "selectivity_term": 0.048, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.476, "per_endpoint": {"solubility-aqsoldb": 0.46, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.28, "herg": 0.828, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.4}}, "run": {"gpu": "0", "pAct_q10": 4.708276831850804, "aff_pf": 0.9138605197270712, "aff_hs": 1.0104989608128865, "repeats_pf": {"runs": 3, "values": [0.8941, 1.0103, 0.8372], "mean": 0.9139, "spread": 0.1731}, "repeats_hs": {"runs": 3, "values": [0.9162, 1.0037, 1.1116], "mean": 1.0105, "spread": 0.1954}, "at": 1788784120}, "tier": 1, "alerts": [], "total_sd": 0.41, "total_ci95": [3.073, 5.076], "relegate_reason": [], "submitted_at": 1788705666, "scored_at": 1788784120, "rank": 6214}, {"candidate_id": "ODC-67EC37", "res_at": 1787148480, "skeleton": "VMQNRSMUFHQZNT", "hf_user": "PhD-Shin", "display_name": "PhD-Shin M-P5", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nccc··········)c1=O", "total": 3.43, "axes": {"activity": 0.58, "binding": 1.4, "selectivity": 0.0, "admet": 0.68, "novelty": 0.42, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.635, "fraction": 0.019}, "binding": {"pIC50": 4.86, "LE": 0.317, "potency_term": 0.07, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.183, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.65, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 0.902, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.616, "ld50-zhu": 0.192, "herg": 1.0, "dili": 0.247}}, "novelty": {"max_tanimoto": 0.406, "novelty": 0.594}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "3", "pAct_q10": 4.634894156062543, "aff_pf": 1.1426444451014202, "aff_hs": 1.5081966718037922, "repeats_pf": {"runs": 3, "values": [1.3156, 1.0881, 1.0243], "mean": 1.1426, "spread": 0.2913}, "repeats_hs": {"runs": 3, "values": [1.4558, 1.4954, 1.5734], "mean": 1.5082, "spread": 0.1176}, "at": 1787148480}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145192, "scored_at": 1787148480, "alerts": [], "rank": 6215}, {"candidate_id": "ODC-C5419B", "res_at": 1787164416, "skeleton": "HKBOZNGWEIUPBF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W6-R2", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(O)c··········CNCC1", "total": 3.428, "axes": {"activity": 1.96, "binding": 0.04, "selectivity": 0.0, "admet": 0.78, "novelty": 0.31, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.43, "fraction": 0.065}, "binding": {"pIC50": 3.58, "LE": 0.223, "potency_term": 0.003, "efficiency_cap": 0.744}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.796, "per_endpoint": {"solubility-aqsoldb": 0.92, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.682, "herg": 0.122, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.52, "novelty": 0.48}, "synthesis": {"sa_score": 1.93}}, "run": {"gpu": "3", "pAct_q10": 4.430297977364883, "aff_pf": 2.4179649353027344, "aff_hs": 2.1876649061838784, "repeats_pf": {"runs": 3, "values": [2.3261, 2.6275, 2.3003], "mean": 2.418, "spread": 0.3272}, "repeats_hs": {"runs": 3, "values": [2.2412, 2.1475, 2.1743], "mean": 2.1877, "spread": 0.0936}, "at": 1787164416}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156071, "scored_at": 1787164416, "alerts": [], "rank": 6216}, {"candidate_id": "ODC-4B75B0", "res_at": 1787212976, "skeleton": "UMSKAURKWKFJOJ", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "GPT 5.6 sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········ccc12", "total": 3.427, "axes": {"activity": 0.82, "binding": 1.45, "selectivity": 0.0, "admet": 0.51, "novelty": 0.28, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.649, "fraction": 0.027}, "binding": {"pIC50": 4.87, "LE": 0.303, "potency_term": 0.072, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.191, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.472, "per_endpoint": {"solubility-aqsoldb": 0.326, "caco2-wang": 0.885, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.525, "cyp2c9-veith": 0.507, "cyp3a4-substrate-carbonmangels": 0.328, "ld50-zhu": 0.354, "herg": 0.279, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.61, "novelty": 0.39}, "synthesis": {"sa_score": 2.03}}, "run": {"gpu": "3", "pAct_q10": 4.649407714794768, "aff_pf": 1.129456877708435, "aff_hs": 1.511638919512431, "repeats_pf": {"runs": 3, "values": [1.187, 1.1305, 1.071], "mean": 1.1295, "spread": 0.116}, "repeats_hs": {"runs": 3, "values": [1.5423, 1.5891, 1.4035], "mean": 1.5116, "spread": 0.1856}, "at": 1787212976}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212233, "scored_at": 1787212976, "alerts": [], "rank": 6217}, {"candidate_id": "ODC-9B99D0", "res_at": 1787021654, "skeleton": "DECILAIOAKTOJG", "hf_user": "Ku-ku", "display_name": "Ku-ku", "model_name": "claude-opus-5 + gpt-5.6-sol (ODC harness: RDKit gate, MaxMin diversity, no predi", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········F)no1", "total": 3.417, "axes": {"activity": 1.73, "binding": 0.6, "selectivity": 0.0, "admet": 0.4, "novelty": 0.42, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.379, "fraction": 0.058}, "binding": {"pIC50": 4.56, "LE": 0.271, "potency_term": 0.033, "efficiency_cap": 0.905}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.654, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 4.379410988135668, "aff_pf": 1.4429720640182495, "aff_hs": 1.4112627506256104, "repeats_pf": {"runs": 3, "values": [1.4776, 1.4598, 1.3915], "mean": 1.443, "spread": 0.0861}, "repeats_hs": {"runs": 3, "values": [1.4101, 1.4253, 1.3984], "mean": 1.4113, "spread": 0.0269}, "at": 1787021654}, "tier": 1, "relegate_reason": [], "submitted_at": 1787021294, "scored_at": 1787021654, "alerts": [], "rank": 6218}, {"candidate_id": "ODC-E3ED25", "res_at": 1786754316, "skeleton": "RYSWGNMHHFZIOA", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "250-300", "visibility": "public", "smiles": "COc1cccc(-c2nc3ccc(Cl)cc3[nH]c2=O)c1", "smiles_masked": null, "total": 3.41, "axes": {"activity": 1.69, "binding": 0.69, "selectivity": 0.09, "admet": 0.34, "novelty": 0.32, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.701, "fraction": 0.056}, "binding": {"pIC50": 5.1, "LE": 0.35, "potency_term": 0.035, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.124, "target_engagement": 0.035}, "admet": {"geometric_mean": 0.406, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.283, "cyp3a4-substrate-carbonmangels": 0.086, "ld50-zhu": 0.163, "herg": 0.713, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 1.93}}, "run": {"gpu": "3", "pAct_q10": 4.7014677029532095, "aff_pf": 0.8964290618896484, "aff_hs": 1.1447738409042358, "at": 1786754316}, "tier": 1, "relegate_reason": [], "submitted_at": 1786753044, "scored_at": 1786754316, "alerts": [], "rank": 6219}, {"candidate_id": "ODC-E6284A", "res_at": 1787160007, "skeleton": "JNHNLQZLXQIYPK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 3.409, "axes": {"activity": 0.61, "binding": 1.28, "selectivity": 0.0, "admet": 0.82, "novelty": 0.46, "synthesis": 0.24}, "detail": {"activity": {"pAct_q10": 3.962, "fraction": 0.02}, "binding": {"pIC50": 4.82, "LE": 0.348, "potency_term": 0.064, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.852, "per_endpoint": {"solubility-aqsoldb": 0.992, "caco2-wang": 0.787, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.387, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 3.9621196973894524, "aff_pf": 1.1780463059743245, "aff_hs": 1.0493565400441487, "repeats_pf": {"runs": 3, "values": [1.2534, 1.2769, 1.0038], "mean": 1.178, "spread": 0.2731}, "repeats_hs": {"runs": 3, "values": [1.2541, 0.7958, 1.0982], "mean": 1.0494, "spread": 0.4583}, "at": 1787160007}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148913, "scored_at": 1787160007, "alerts": [], "rank": 6220}, {"candidate_id": "ODC-015551", "res_at": 1787148289, "skeleton": "UZWMWXKTBKKGIN", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccc··········)cc12", "total": 3.407, "axes": {"activity": 0.45, "binding": 1.42, "selectivity": 0.0, "admet": 0.72, "novelty": 0.46, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 3.842, "fraction": 0.015}, "binding": {"pIC50": 4.86, "LE": 0.513, "potency_term": 0.071, "efficiency_cap": 1.0}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.669, "per_endpoint": {"solubility-aqsoldb": 0.93, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.318, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.05}}, "run": {"gpu": "3", "pAct_q10": 3.8416244162868347, "aff_pf": 1.1357959508895874, "aff_hs": 2.092133124669393, "repeats_pf": {"runs": 3, "values": [1.0083, 1.3093, 1.0898], "mean": 1.1358, "spread": 0.301}, "repeats_hs": {"runs": 3, "values": [2.064, 2.0918, 2.1205], "mean": 2.0921, "spread": 0.0565}, "at": 1787148289}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145190, "scored_at": 1787148289, "alerts": [], "rank": 6221}, {"candidate_id": "Proguanil", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 3.377, "tier": 1, "axes": {"activity": 1.66, "binding": 0.78, "selectivity": 0.0, "admet": 0.5, "novelty": 0.17, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.364, "fraction": 0.055}, "binding": {"pIC50": 4.62, "LE": 0.373, "potency_term": 0.039, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.242, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.605, "per_endpoint": {"solubility-aqsoldb": 0.85, "caco2-wang": 0.202, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.205, "ld50-zhu": 0.298, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 2.76}}, "note": "승인 항말라리아제 · 전구약 — 체내에서 사이클로구아닐로 바뀌어야 작용한다", "note_en": "approved antimalarial, but a prodrug - it has to become cycloguanil to work", "rank": null}, {"candidate_id": "ODC-3B6460", "res_at": 1787929422, "skeleton": "PJOVTKRXRQBKET", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COCCn1c··········2c1=O", "total": 3.374, "axes": {"activity": 0.75, "binding": 1.41, "selectivity": 0.0, "admet": 0.61, "novelty": 0.37, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.645, "fraction": 0.025}, "binding": {"pIC50": 4.98, "LE": 0.22, "potency_term": 0.096, "efficiency_cap": 0.734}, "selectivity": {"fold": 1.2, "selectivity_term": 0.047, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.573, "per_endpoint": {"solubility-aqsoldb": 0.649, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.399, "ld50-zhu": 0.929, "herg": 0.05, "dili": 0.195}}, "novelty": {"max_tanimoto": 0.472, "novelty": 0.528}, "synthesis": {"sa_score": 3.67}}, "run": {"gpu": "0", "pAct_q10": 4.64522264448301, "aff_pf": 1.0166926980018616, "aff_hs": 1.1099793910980225, "repeats_pf": {"runs": 3, "values": [0.8624, 1.1304, 1.0573], "mean": 1.0167, "spread": 0.268}, "repeats_hs": {"runs": 3, "values": [1.1527, 1.0716, 1.1056], "mean": 1.11, "spread": 0.0811}, "at": 1787929422}, "tier": 1, "relegate_reason": [], "submitted_at": 1787899294, "scored_at": 1787929422, "alerts": [], "rank": 6222}, {"candidate_id": "ODC-38ACDB", "res_at": 1786884605, "skeleton": "BJUUHYCNJKKXBA", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········nH]n1", "total": 3.373, "axes": {"activity": 1.87, "binding": 0.24, "selectivity": 0.0, "admet": 0.61, "novelty": 0.34, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.41, "fraction": 0.062}, "binding": {"pIC50": 4.15, "LE": 0.356, "potency_term": 0.012, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.657, "per_endpoint": {"solubility-aqsoldb": 0.74, "caco2-wang": 0.796, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.846, "cyp3a4-substrate-carbonmangels": 0.79, "ld50-zhu": 0.397, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "3", "pAct_q10": 4.410254750570625, "aff_pf": 1.8455395301183064, "aff_hs": 1.967690110206604, "repeats_pf": {"runs": 3, "values": [1.8046, 1.7864, 1.9456], "mean": 1.8455, "spread": 0.1592}, "repeats_hs": {"runs": 3, "values": [2.0183, 1.9635, 1.9213], "mean": 1.9677, "spread": 0.097}, "at": 1786884605}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875238, "scored_at": 1786884605, "alerts": [], "rank": 6223}, {"candidate_id": "ODC-3B465D", "res_at": 1787139558, "skeleton": "CFTNFDSEYGKMCU", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1-R5", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 3.365, "axes": {"activity": 2.07, "binding": 0.08, "selectivity": 0.0, "admet": 0.48, "novelty": 0.38, "synthesis": 0.34}, "detail": {"activity": {"pAct_q10": 4.451, "fraction": 0.069}, "binding": {"pIC50": 3.75, "LE": 0.285, "potency_term": 0.004, "efficiency_cap": 0.952}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.466, "per_endpoint": {"solubility-aqsoldb": 0.784, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.164, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 1.53}}, "run": {"gpu": "3", "pAct_q10": 4.451407079038922, "aff_pf": 2.2493693828582764, "aff_hs": 1.7554583549499512, "repeats_pf": {"runs": 3, "values": [2.2123, 2.2232, 2.3126], "mean": 2.2494, "spread": 0.1003}, "repeats_hs": {"runs": 3, "values": [1.7943, 1.7826, 1.6895], "mean": 1.7555, "spread": 0.1048}, "at": 1787139558}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138499, "scored_at": 1787139558, "alerts": [], "rank": 6224}, {"candidate_id": "ODC-A87BC6", "res_at": 1787099229, "skeleton": "HJYDJSCKLLBXQK", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C(=O··········F)CC1", "total": 3.347, "axes": {"activity": 1.59, "binding": 0.64, "selectivity": 0.0, "admet": 0.48, "novelty": 0.37, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.695, "fraction": 0.053}, "binding": {"pIC50": 4.6, "LE": 0.262, "potency_term": 0.036, "efficiency_cap": 0.875}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.529, "ld50-zhu": 0.474, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.695474875874542, "aff_pf": 1.4035987854003906, "aff_hs": 1.0744280417760212, "repeats_pf": {"runs": 3, "values": [1.4735, 1.3086, 1.4288], "mean": 1.4036, "spread": 0.1649}, "repeats_hs": {"runs": 3, "values": [1.0823, 1.0873, 1.0537], "mean": 1.0744, "spread": 0.0335}, "at": 1787099229}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097982, "scored_at": 1787099229, "alerts": [], "rank": 6225}, {"candidate_id": "ODC-72A697", "res_at": 1787164796, "skeleton": "GIALWQWIJYMEQP", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W6-R4", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········CNCC1", "total": 3.298, "axes": {"activity": 1.9, "binding": 0.07, "selectivity": 0.0, "admet": 0.7, "novelty": 0.32, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.714, "fraction": 0.063}, "binding": {"pIC50": 3.77, "LE": 0.215, "potency_term": 0.005, "efficiency_cap": 0.718}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.738, "per_endpoint": {"solubility-aqsoldb": 0.798, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.95, "cyp3a4-substrate-carbonmangels": 0.9, "ld50-zhu": 0.78, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 4.714187049163067, "aff_pf": 2.2250513235727944, "aff_hs": 2.1858437856038413, "repeats_pf": {"runs": 3, "values": [2.4605, 2.0551, 2.1596], "mean": 2.2251, "spread": 0.4054}, "repeats_hs": {"runs": 3, "values": [2.1849, 2.2486, 2.124], "mean": 2.1858, "spread": 0.1246}, "at": 1787164796}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156135, "scored_at": 1787164796, "alerts": [], "rank": 6226}, {"candidate_id": "ODC-29D539", "res_at": 1787940182, "skeleton": "MWYVJGQBNZJZHX", "hf_user": "dlghkdueo", "display_name": "SOMANG-A7", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=c1c2c··········)F)c1", "total": 3.286, "axes": {"activity": 1.55, "binding": 0.77, "selectivity": 0.0, "admet": 0.38, "novelty": 0.32, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.693, "fraction": 0.052}, "binding": {"pIC50": 4.63, "LE": 0.289, "potency_term": 0.04, "efficiency_cap": 0.962}, "selectivity": {"fold": 1.7, "selectivity_term": 0.109, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.494, "per_endpoint": {"solubility-aqsoldb": 0.453, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.719, "ld50-zhu": 0.272, "herg": 0.946, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.381, "novelty": 0.619}, "synthesis": {"sa_score": 2.18}}, "run": {"gpu": "3", "pAct_q10": 4.6931150439177385, "aff_pf": 1.365443468093872, "aff_hs": 1.5836339791615803, "repeats_pf": {"runs": 3, "values": [0.9835, 1.5739, 1.5389], "mean": 1.3654, "spread": 0.5905}, "repeats_hs": {"runs": 3, "values": [1.5124, 1.5833, 1.6552], "mean": 1.5836, "spread": 0.1427}, "at": 1787940182}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936660, "scored_at": 1787940182, "alerts": [], "rank": 6227}, {"candidate_id": "ODC-126878", "res_at": 1789078750, "skeleton": "AUJMQRLSEAYQIX", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Claude Opus 5 · agy fleet", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 3.281, "axes": {"activity": 1.71, "binding": 0.58, "selectivity": 0.0, "admet": 0.35, "novelty": 0.36, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.703, "fraction": 0.057}, "binding": {"pIC50": 4.59, "LE": 0.242, "potency_term": 0.036, "efficiency_cap": 0.806}, "selectivity": {"fold": 1.0, "selectivity_term": 0.009, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.404, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.945, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.689, "cyp2c9-veith": 0.577, "cyp3a4-substrate-carbonmangels": 0.726, "ld50-zhu": 0.331, "herg": 0.243, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "0", "pAct_q10": 4.7027421978129285, "aff_pf": 1.4093966086705525, "aff_hs": 1.4278581937154133, "repeats_pf": {"runs": 3, "values": [1.3624, 1.4609, 1.4049], "mean": 1.4094, "spread": 0.0984}, "repeats_hs": {"runs": 3, "values": [1.4557, 1.4272, 1.4007], "mean": 1.4279, "spread": 0.055}, "at": 1789078750}, "tier": 1, "alerts": [], "total_sd": 0.035, "total_ci95": [3.205, 3.335], "relegate_reason": [], "submitted_at": 1789046042, "scored_at": 1789078750, "rank": 6228}, {"candidate_id": "ODC-7C95D2", "res_at": 1789907635, "skeleton": "XGQPKBKKMFLFPF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········sc2n1", "total": 3.261, "axes": {"activity": 1.16, "binding": 1.12, "selectivity": 0.0, "admet": 0.34, "novelty": 0.37, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.669, "fraction": 0.039}, "binding": {"pIC50": 5.18, "LE": 0.273, "potency_term": 0.061, "efficiency_cap": 0.911}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.402, "per_endpoint": {"solubility-aqsoldb": 0.469, "caco2-wang": 0.788, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.076, "cyp2c9-veith": 0.497, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.614, "herg": 0.05, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "2", "pAct_q10": 4.669379973044745, "aff_pf": 0.8158206343650818, "aff_hs": 0.8014117479324341, "repeats_pf": {"runs": 3, "values": [0.7635, 0.8794, 0.8045], "mean": 0.8158, "spread": 0.1158}, "repeats_hs": {"runs": 3, "values": [0.8469, 0.7805, 0.7768], "mean": 0.8014, "spread": 0.0701}, "at": 1789907635}, "tier": 1, "alerts": [], "total_sd": 0.309, "total_ci95": [2.807, 3.898], "relegate_reason": [], "submitted_at": 1789778858, "scored_at": 1789907635, "rank": 6229}, {"candidate_id": "ODC-CE112E", "res_at": 1786864918, "skeleton": "JWFVHBNBHUJADJ", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1OCC··········)cc21", "total": 3.254, "axes": {"activity": 1.37, "binding": 0.94, "selectivity": 0.0, "admet": 0.37, "novelty": 0.36, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.046}, "binding": {"pIC50": 5.14, "LE": 0.335, "potency_term": 0.047, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.0, "selectivity_term": 0.0, "target_engagement": 0.047}, "admet": {"geometric_mean": 0.528, "per_endpoint": {"solubility-aqsoldb": 0.573, "caco2-wang": 0.914, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.433, "herg": 0.995, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.243, "novelty": 0.757}, "synthesis": {"sa_score": 2.87}}, "run": {"gpu": "3", "pAct_q10": 4.682272015595643, "aff_pf": 0.8586604595184326, "aff_hs": -0.5816303094228109, "repeats_pf": {"runs": 3, "values": [0.8512, 0.8579, 0.8669], "mean": 0.8587, "spread": 0.0157}, "repeats_hs": {"runs": 3, "values": [-0.5316, -0.629, -0.5843], "mean": -0.5816, "spread": 0.0974}, "at": 1786864918}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857157, "scored_at": 1786864918, "alerts": [], "rank": 6230}, {"candidate_id": "ODC-4876B5", "res_at": 1787947899, "skeleton": "DQTNHFQQKGESMR", "hf_user": "dlghkdueo", "display_name": "SOMANG-B5", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1c(=O··········ccc21", "total": 3.236, "axes": {"activity": 1.51, "binding": 0.81, "selectivity": 0.0, "admet": 0.35, "novelty": 0.3, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.691, "fraction": 0.05}, "binding": {"pIC50": 4.72, "LE": 0.248, "potency_term": 0.049, "efficiency_cap": 0.828}, "selectivity": {"fold": 2.1, "selectivity_term": 0.161, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.227, "caco2-wang": 0.968, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 0.578, "ld50-zhu": 0.28, "herg": 0.264, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "0", "pAct_q10": 4.690620138458224, "aff_pf": 1.283971865971883, "aff_hs": 1.6063235600789387, "repeats_pf": {"runs": 3, "values": [1.2081, 1.3966, 1.2472], "mean": 1.284, "spread": 0.1885}, "repeats_hs": {"runs": 3, "values": [1.5801, 1.5348, 1.704], "mean": 1.6063, "spread": 0.1692}, "at": 1787947899}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936814, "scored_at": 1787947899, "alerts": [], "rank": 6231}, {"candidate_id": "ODC-492CDC", "res_at": 1787448666, "skeleton": "KKVBDYMSJRSFQI", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cc(··········[nH]1", "total": 3.231, "axes": {"activity": 1.29, "binding": 0.89, "selectivity": 0.0, "admet": 0.5, "novelty": 0.33, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.263, "fraction": 0.043}, "binding": {"pIC50": 4.68, "LE": 0.356, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.745, "per_endpoint": {"solubility-aqsoldb": 0.603, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.815, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "3", "pAct_q10": 4.262616457728019, "aff_pf": 1.3226035833358765, "aff_hs": 0.6336003541946411, "repeats_pf": {"runs": 3, "values": [1.2538, 1.2669, 1.4471], "mean": 1.3226, "spread": 0.1933}, "repeats_hs": {"runs": 3, "values": [0.5639, 0.7434, 0.5935], "mean": 0.6336, "spread": 0.1795}, "at": 1787448666}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448101, "scored_at": 1787448666, "alerts": [], "rank": 6232}, {"candidate_id": "ODC-F3910B", "res_at": 1787385788, "skeleton": "NQKJGNZBBPCFSK", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5 M9-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 3.224, "axes": {"activity": 1.75, "binding": 0.4, "selectivity": 0.0, "admet": 0.46, "novelty": 0.32, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.705, "fraction": 0.058}, "binding": {"pIC50": 4.42, "LE": 0.252, "potency_term": 0.024, "efficiency_cap": 0.842}, "selectivity": {"fold": 1.1, "selectivity_term": 0.015, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.462, "caco2-wang": 0.892, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.711, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 0.256, "ld50-zhu": 0.398, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.45, "novelty": 0.55}, "synthesis": {"sa_score": 1.72}}, "run": {"gpu": "3", "pAct_q10": 4.7051247177968, "aff_pf": 1.57695206006368, "aff_hs": 1.6060936450958252, "repeats_pf": {"runs": 3, "values": [1.4984, 1.7255, 1.5069], "mean": 1.577, "spread": 0.2272}, "repeats_hs": {"runs": 3, "values": [1.6121, 1.5159, 1.6902], "mean": 1.6061, "spread": 0.1743}, "at": 1787385788}, "tier": 1, "relegate_reason": [], "submitted_at": 1787383343, "scored_at": 1787385788, "alerts": [], "rank": 6233}, {"candidate_id": "ODC-67F241", "res_at": 1787213199, "skeleton": "JWJNPLKVCLJVGV", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "GPT 5.6 sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········cc2n1", "total": 3.219, "axes": {"activity": 1.13, "binding": 1.07, "selectivity": 0.21, "admet": 0.4, "novelty": 0.14, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.21, "fraction": 0.038}, "binding": {"pIC50": 5.16, "LE": 0.321, "potency_term": 0.054, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.194, "target_engagement": 0.054}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.301, "caco2-wang": 0.934, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.832, "cyp2c9-veith": 0.804, "cyp3a4-substrate-carbonmangels": 0.272, "ld50-zhu": 0.48, "herg": 0.176, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.738, "novelty": 0.262}, "synthesis": {"sa_score": 1.95}}, "run": {"gpu": "3", "pAct_q10": 4.210407017655815, "aff_pf": 0.8394203186035156, "aff_hs": 1.2275564670562744, "repeats_pf": {"runs": 3, "values": [0.7825, 0.8212, 0.9146], "mean": 0.8394, "spread": 0.1321}, "repeats_hs": {"runs": 3, "values": [1.1244, 1.301, 1.2573], "mean": 1.2276, "spread": 0.1766}, "at": 1787213199}, "tier": 1, "relegate_reason": [], "submitted_at": 1787212262, "scored_at": 1787213199, "alerts": [], "rank": 6234}, {"candidate_id": "ODC-D54AA2", "res_at": 1787949340, "skeleton": "CTALSQLLKAJXNV", "hf_user": "Bio-JS", "display_name": "B2 [짝] 피롤로트라이아진 x 옥세탄, F 없음", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2c··········nn2c1", "total": 3.202, "axes": {"activity": 1.67, "binding": 0.38, "selectivity": 0.08, "admet": 0.43, "novelty": 0.39, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.7, "fraction": 0.056}, "binding": {"pIC50": 5.06, "LE": 0.315, "potency_term": 0.019, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.199, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.606, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.608, "cyp2c9-veith": 0.824, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.41, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.70022407653712, "aff_pf": 0.9429278572400411, "aff_hs": 1.3413844108581543, "repeats_pf": {"runs": 3, "values": [0.9223, 1.0213, 0.8852], "mean": 0.9429, "spread": 0.1362}, "repeats_hs": {"runs": 3, "values": [1.3241, 1.4117, 1.2884], "mean": 1.3414, "spread": 0.1234}, "at": 1787949340}, "tier": 1, "relegate_reason": [], "submitted_at": 1787945105, "scored_at": 1787949340, "alerts": [], "rank": 6235}, {"candidate_id": "ODC-507213", "res_at": 1787449036, "skeleton": "GWISGUWLWPJDNJ", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc(-··········oc1=O", "total": 3.199, "axes": {"activity": 1.51, "binding": 0.56, "selectivity": 0.0, "admet": 0.54, "novelty": 0.34, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.326, "fraction": 0.05}, "binding": {"pIC50": 4.49, "LE": 0.342, "potency_term": 0.028, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.709, "per_endpoint": {"solubility-aqsoldb": 0.691, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.688, "ld50-zhu": 0.594, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.328, "novelty": 0.672}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 4.32562311050253, "aff_pf": 1.508115251859029, "aff_hs": 1.1421699126561482, "repeats_pf": {"runs": 3, "values": [1.508, 1.4905, 1.5259], "mean": 1.5081, "spread": 0.0354}, "repeats_hs": {"runs": 3, "values": [1.0833, 1.1395, 1.2038], "mean": 1.1422, "spread": 0.1205}, "at": 1787449036}, "tier": 1, "relegate_reason": [], "submitted_at": 1787448113, "scored_at": 1787449036, "alerts": [], "rank": 6236}, {"candidate_id": "ODC-47CED9", "res_at": 1787145507, "skeleton": "RDSJXZLLNPHUAB", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 3.19, "axes": {"activity": 1.68, "binding": 0.49, "selectivity": 0.0, "admet": 0.46, "novelty": 0.28, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.367, "fraction": 0.056}, "binding": {"pIC50": 4.44, "LE": 0.32, "potency_term": 0.025, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.563, "caco2-wang": 0.801, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.398, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "3", "pAct_q10": 4.3670788585851055, "aff_pf": 1.5594490766525269, "aff_hs": 1.3470437129338582, "repeats_pf": {"runs": 3, "values": [1.5879, 1.5708, 1.5196], "mean": 1.5594, "spread": 0.0684}, "repeats_hs": {"runs": 3, "values": [1.3912, 1.3353, 1.3146], "mean": 1.347, "spread": 0.0766}, "at": 1787145507}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143116, "scored_at": 1787145507, "alerts": [], "rank": 6237}, {"candidate_id": "ODC-B0E0D8", "res_at": 1789504806, "skeleton": "RGHFCFOAYGXWBZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 3.144, "axes": {"activity": 1.66, "binding": 0.4, "selectivity": 0.0, "admet": 0.45, "novelty": 0.36, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.362, "fraction": 0.055}, "binding": {"pIC50": 4.39, "LE": 0.273, "potency_term": 0.022, "efficiency_cap": 0.911}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.63, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.641, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.252, "herg": 0.154, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.342, "novelty": 0.658}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "0", "pAct_q10": 4.36249476956691, "aff_pf": 1.6092262268066406, "aff_hs": 1.5823249419530232, "repeats_pf": {"runs": 3, "values": [1.6174, 1.5322, 1.6781], "mean": 1.6092, "spread": 0.146}, "repeats_hs": {"runs": 3, "values": [1.6665, 1.4256, 1.6549], "mean": 1.5823, "spread": 0.2408}, "at": 1789504806}, "tier": 1, "alerts": [], "total_sd": 0.037, "total_ci95": [3.076, 3.237], "relegate_reason": [], "submitted_at": 1789491550, "scored_at": 1789504806, "rank": 6238}, {"candidate_id": "ODC-033EE8", "res_at": 1787394795, "skeleton": "DXPKXPUTOFPSBQ", "hf_user": "Jaewonismyname", "display_name": "Jaewonismyname", "model_name": "S1-C", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 3.142, "axes": {"activity": 1.86, "binding": 0.22, "selectivity": 0.0, "admet": 0.41, "novelty": 0.35, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.711, "fraction": 0.062}, "binding": {"pIC50": 4.18, "LE": 0.249, "potency_term": 0.013, "efficiency_cap": 0.831}, "selectivity": {"fold": 1.2, "selectivity_term": 0.044, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 0.999, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.496, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.264, "herg": 0.157, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.441, "novelty": 0.559}, "synthesis": {"sa_score": 1.78}}, "run": {"gpu": "3", "pAct_q10": 4.711409838612792, "aff_pf": 1.815410574277242, "aff_hs": 1.9030588865280151, "repeats_pf": {"runs": 3, "values": [1.7786, 1.8433, 1.8243], "mean": 1.8154, "spread": 0.0648}, "repeats_hs": {"runs": 3, "values": [1.8867, 1.8669, 1.9555], "mean": 1.9031, "spread": 0.0886}, "at": 1787394795}, "tier": 1, "relegate_reason": [], "submitted_at": 1787394194, "scored_at": 1787394795, "alerts": [], "rank": 6239}, {"candidate_id": "ODC-E264BD", "res_at": 1787159070, "skeleton": "SOWHYCLLSGVDPQ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R4", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1ncc2··········)cc21", "total": 3.141, "axes": {"activity": 0.6, "binding": 1.05, "selectivity": 0.26, "admet": 0.66, "novelty": 0.38, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 3.959, "fraction": 0.02}, "binding": {"pIC50": 5.16, "LE": 0.337, "potency_term": 0.053, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.244, "target_engagement": 0.053}, "admet": {"geometric_mean": 0.837, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.716, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.369, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.61}}, "run": {"gpu": "3", "pAct_q10": 3.9592656015583367, "aff_pf": 0.8418625593185425, "aff_hs": 1.3301750818888347, "repeats_pf": {"runs": 3, "values": [0.8148, 0.8475, 0.8632], "mean": 0.8419, "spread": 0.0484}, "repeats_hs": {"runs": 3, "values": [1.3249, 1.2737, 1.3919], "mean": 1.3302, "spread": 0.1182}, "at": 1787159070}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148828, "scored_at": 1787159070, "alerts": [], "rank": 6240}, {"candidate_id": "ODC-366435", "res_at": 1786889169, "skeleton": "AQGXNCGYXKWMDH", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 3.136, "axes": {"activity": 1.85, "binding": 0.11, "selectivity": 0.0, "admet": 0.53, "novelty": 0.34, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.406, "fraction": 0.062}, "binding": {"pIC50": 3.84, "LE": 0.329, "potency_term": 0.006, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.76, "caco2-wang": 0.804, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.898, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.115, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 1.84}}, "run": {"gpu": "3", "pAct_q10": 4.4062268011248555, "aff_pf": 2.157345771789551, "aff_hs": 2.0237840016682944, "repeats_pf": {"runs": 3, "values": [2.2614, 2.2492, 1.9614], "mean": 2.1573, "spread": 0.3}, "repeats_hs": {"runs": 3, "values": [2.0388, 2.0419, 1.9907], "mean": 2.0238, "spread": 0.0513}, "at": 1786889169}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875309, "scored_at": 1786889169, "alerts": [], "rank": 6241}, {"candidate_id": "ODC-32832A", "res_at": 1789500288, "skeleton": "NFPJEUCIBYTDAA", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 3.136, "axes": {"activity": 1.69, "binding": 0.13, "selectivity": 0.0, "admet": 0.66, "novelty": 0.38, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.37, "fraction": 0.056}, "binding": {"pIC50": 3.91, "LE": 0.298, "potency_term": 0.007, "efficiency_cap": 0.992}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.778, "per_endpoint": {"solubility-aqsoldb": 0.803, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.47, "ld50-zhu": 0.303, "herg": 1.0, "dili": 0.827}}, "novelty": {"max_tanimoto": 0.327, "novelty": 0.673}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 4.370160449627488, "aff_pf": 2.089602073033651, "aff_hs": 1.6916414499282837, "repeats_pf": {"runs": 3, "values": [2.2226, 2.1753, 1.8709], "mean": 2.0896, "spread": 0.3516}, "repeats_hs": {"runs": 3, "values": [1.7554, 1.7436, 1.576], "mean": 1.6916, "spread": 0.1794}, "at": 1789500288}, "tier": 1, "alerts": [], "total_sd": 0.032, "total_ci95": [3.096, 3.232], "relegate_reason": [], "submitted_at": 1789491513, "scored_at": 1789500288, "rank": 6242}, {"candidate_id": "ODC-1DAE36", "res_at": 1786897680, "skeleton": "AMJXDENIBROEIO", "hf_user": "choa712", "display_name": "lucy", "model_name": "Claude Fable 5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 3.13, "axes": {"activity": 1.79, "binding": 0.28, "selectivity": 0.0, "admet": 0.43, "novelty": 0.32, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.394, "fraction": 0.06}, "binding": {"pIC50": 4.23, "LE": 0.29, "potency_term": 0.015, "efficiency_cap": 0.967}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.485, "per_endpoint": {"solubility-aqsoldb": 0.381, "caco2-wang": 0.965, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.729, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.278, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 1.8}}, "run": {"gpu": "3", "pAct_q10": 4.3938878299881186, "aff_pf": 1.7661827007929485, "aff_hs": 1.0369576613108318, "repeats_pf": {"runs": 3, "values": [1.7061, 1.6499, 1.9426], "mean": 1.7662, "spread": 0.2926}, "repeats_hs": {"runs": 3, "values": [1.0756, 1.0228, 1.0126], "mean": 1.037, "spread": 0.063}, "at": 1786897680}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884092, "scored_at": 1786897680, "alerts": [], "rank": 6243}, {"candidate_id": "ODC-780347", "res_at": 1786880248, "skeleton": "LVERVLNIJMUPKJ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 3.129, "axes": {"activity": 1.99, "binding": 0.03, "selectivity": 0.0, "admet": 0.53, "novelty": 0.25, "synthesis": 0.33}, "detail": {"activity": {"pAct_q10": 4.435, "fraction": 0.066}, "binding": {"pIC50": 3.36, "LE": 0.271, "potency_term": 0.002, "efficiency_cap": 0.902}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.53, "per_endpoint": {"solubility-aqsoldb": 0.714, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.395, "ld50-zhu": 0.236, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.617, "novelty": 0.383}, "synthesis": {"sa_score": 1.45}}, "run": {"gpu": "2", "pAct_q10": 4.43525779372946, "aff_pf": 2.641071637471517, "aff_hs": 2.3762733141581216, "repeats_pf": {"runs": 3, "values": [2.6417, 2.6458, 2.6357], "mean": 2.6411, "spread": 0.0101}, "repeats_hs": {"runs": 3, "values": [2.4828, 2.3604, 2.2856], "mean": 2.3763, "spread": 0.1972}, "at": 1786880248}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875259, "scored_at": 1786880248, "alerts": [], "rank": 6244}, {"candidate_id": "ODC-000345", "res_at": 1786875809, "skeleton": "RFYGILWGPHKZOG", "hf_user": "route-rude", "display_name": "WONNOW-SuperDaddy", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CN1CCN(··········2)CC1", "total": 3.128, "axes": {"activity": 1.77, "binding": 0.12, "selectivity": 0.0, "admet": 0.61, "novelty": 0.33, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.706, "fraction": 0.059}, "binding": {"pIC50": 3.95, "LE": 0.246, "potency_term": 0.007, "efficiency_cap": 0.819}, "selectivity": {"fold": 1.6, "selectivity_term": 0.109, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.894, "caco2-wang": 0.963, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.487, "ld50-zhu": 0.439, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.433, "novelty": 0.567}, "synthesis": {"sa_score": 1.85}}, "run": {"gpu": "3", "pAct_q10": 4.706365490768428, "aff_pf": 2.0541611115137735, "aff_hs": 2.2711733182271323, "repeats_pf": {"runs": 3, "values": [2.131, 2.1042, 1.9272], "mean": 2.0542, "spread": 0.2038}, "repeats_hs": {"runs": 3, "values": [2.2949, 2.4095, 2.1091], "mean": 2.2712, "spread": 0.3005}, "at": 1786875809}, "tier": 1, "relegate_reason": [], "submitted_at": 1786867320, "scored_at": 1786875809, "alerts": [], "rank": 6245}, {"candidate_id": "ODC-724739", "res_at": 1787945978, "skeleton": "ONPKUGSLZITXON", "hf_user": "dlghkdueo", "display_name": "SOMANG-A3", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2o1", "total": 3.125, "axes": {"activity": 0.73, "binding": 1.26, "selectivity": 0.0, "admet": 0.49, "novelty": 0.33, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 4.644, "fraction": 0.024}, "binding": {"pIC50": 4.82, "LE": 0.3, "potency_term": 0.063, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.327, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.749, "ld50-zhu": 0.325, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.473, "novelty": 0.527}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "0", "pAct_q10": 4.643639586088086, "aff_pf": 1.183977524439494, "aff_hs": 1.0334769487380981, "repeats_pf": {"runs": 3, "values": [1.1907, 1.1889, 1.1724], "mean": 1.184, "spread": 0.0183}, "repeats_hs": {"runs": 3, "values": [1.1172, 1.0193, 0.964], "mean": 1.0335, "spread": 0.1532}, "at": 1787945978}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936541, "scored_at": 1787945978, "alerts": [], "rank": 6246}, {"candidate_id": "ODC-EE5804", "res_at": 1787098303, "skeleton": "UVNGSMNWTYDYIA", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········cc2o1", "total": 3.098, "axes": {"activity": 1.53, "binding": 0.58, "selectivity": 0.0, "admet": 0.39, "novelty": 0.34, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.33, "fraction": 0.051}, "binding": {"pIC50": 5.09, "LE": 0.303, "potency_term": 0.029, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.516, "per_endpoint": {"solubility-aqsoldb": 0.432, "caco2-wang": 0.932, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.928, "cyp2c9-veith": 0.175, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.194, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "3", "pAct_q10": 4.329525116165386, "aff_pf": 0.9122855067253113, "aff_hs": 0.5539687077204386, "repeats_pf": {"runs": 3, "values": [0.909, 0.9467, 0.8812], "mean": 0.9123, "spread": 0.0655}, "repeats_hs": {"runs": 3, "values": [0.5661, 0.6455, 0.4503], "mean": 0.554, "spread": 0.1953}, "at": 1787098303}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097930, "scored_at": 1787098303, "alerts": [], "rank": 6247}, {"candidate_id": "ODC-D17262", "res_at": 1786888034, "skeleton": "WTFSGNHQWBVVTN", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 3.081, "axes": {"activity": 1.8, "binding": 0.06, "selectivity": 0.0, "admet": 0.59, "novelty": 0.33, "synthesis": 0.3}, "detail": {"activity": {"pAct_q10": 4.395, "fraction": 0.06}, "binding": {"pIC50": 3.58, "LE": 0.289, "potency_term": 0.003, "efficiency_cap": 0.962}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.661, "per_endpoint": {"solubility-aqsoldb": 0.759, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.967, "cyp3a4-substrate-carbonmangels": 0.641, "ld50-zhu": 0.337, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 1.67}}, "run": {"gpu": "3", "pAct_q10": 4.395310598894787, "aff_pf": 2.4187866846720376, "aff_hs": 2.1312754154205322, "repeats_pf": {"runs": 3, "values": [2.6064, 2.3606, 2.2894], "mean": 2.4188, "spread": 0.317}, "repeats_hs": {"runs": 3, "values": [2.0174, 2.2328, 2.1437], "mean": 2.1313, "spread": 0.2154}, "at": 1786888034}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875287, "scored_at": 1786888034, "alerts": [], "rank": 6248}, {"candidate_id": "ODC-E9B1C3", "res_at": 1786885860, "skeleton": "XNOXATIDKXASQR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 3.077, "axes": {"activity": 1.73, "binding": 0.33, "selectivity": 0.0, "admet": 0.44, "novelty": 0.29, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.704, "fraction": 0.058}, "binding": {"pIC50": 4.29, "LE": 0.294, "potency_term": 0.017, "efficiency_cap": 0.979}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.514, "per_endpoint": {"solubility-aqsoldb": 0.438, "caco2-wang": 0.982, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.058, "cyp3a4-substrate-carbonmangels": 0.41, "ld50-zhu": 0.462, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.78}}, "run": {"gpu": "3", "pAct_q10": 4.7036551292036695, "aff_pf": 1.7131011088689168, "aff_hs": 1.53891921043396, "repeats_pf": {"runs": 3, "values": [1.7112, 1.6511, 1.777], "mean": 1.7131, "spread": 0.126}, "repeats_hs": {"runs": 3, "values": [1.5435, 1.6226, 1.4506], "mean": 1.5389, "spread": 0.1719}, "at": 1786885860}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875254, "scored_at": 1786885860, "alerts": [], "rank": 6249}, {"candidate_id": "ODC-FA06A6", "res_at": 1787947550, "skeleton": "NUUQHZBAKISCMF", "hf_user": "dlghkdueo", "display_name": "SOMANG-B1", "model_name": "Claude", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········)n2c1", "total": 3.071, "axes": {"activity": 1.39, "binding": 0.61, "selectivity": 0.22, "admet": 0.34, "novelty": 0.28, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.293, "fraction": 0.046}, "binding": {"pIC50": 5.1, "LE": 0.269, "potency_term": 0.034, "efficiency_cap": 0.896}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.034}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.404, "caco2-wang": 0.906, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.984, "ld50-zhu": 0.312, "herg": 0.634, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "0", "pAct_q10": 4.293388121755856, "aff_pf": 0.8979157010714213, "aff_hs": 1.5369518995285034, "repeats_pf": {"runs": 3, "values": [0.8847, 0.9419, 0.8671], "mean": 0.8979, "spread": 0.0748}, "repeats_hs": {"runs": 3, "values": [1.5513, 1.5329, 1.5266], "mean": 1.537, "spread": 0.0247}, "at": 1787947550}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936711, "scored_at": 1787947550, "alerts": [], "rank": 6250}, {"candidate_id": "ODC-62E1FF", "res_at": 1786881355, "skeleton": "RAAYLTQEXQLDEA", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 3.064, "axes": {"activity": 1.75, "binding": 0.11, "selectivity": 0.0, "admet": 0.6, "novelty": 0.31, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.385, "fraction": 0.058}, "binding": {"pIC50": 3.85, "LE": 0.31, "potency_term": 0.006, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.738, "caco2-wang": 0.996, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.862, "ld50-zhu": 0.388, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.477, "novelty": 0.523}, "synthesis": {"sa_score": 1.9}}, "run": {"gpu": "2", "pAct_q10": 4.385138012009787, "aff_pf": 2.154871622721354, "aff_hs": 1.7720179557800293, "repeats_pf": {"runs": 3, "values": [2.0589, 2.285, 2.1207], "mean": 2.1549, "spread": 0.2261}, "repeats_hs": {"runs": 3, "values": [1.8059, 1.7394, 1.7707], "mean": 1.772, "spread": 0.0665}, "at": 1786881355}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875290, "scored_at": 1786881355, "alerts": [], "rank": 6251}, {"candidate_id": "ODC-540D61", "res_at": 1787192332, "skeleton": "JXPCGKQHAVKJKW", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········C(F)F", "total": 3.06, "axes": {"activity": 1.45, "binding": 0.51, "selectivity": 0.0, "admet": 0.67, "novelty": 0.35, "synthesis": 0.07}, "detail": {"activity": {"pAct_q10": 4.31, "fraction": 0.048}, "binding": {"pIC50": 4.47, "LE": 0.292, "potency_term": 0.026, "efficiency_cap": 0.972}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.916, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.97, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.604, "ld50-zhu": 0.693, "herg": 0.99, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 4.94}}, "run": {"gpu": "3", "pAct_q10": 4.310466049604343, "aff_pf": 1.531538486480713, "aff_hs": 1.3945310910542805, "repeats_pf": {"runs": 3, "values": [1.5658, 1.5726, 1.4563], "mean": 1.5315, "spread": 0.1163}, "repeats_hs": {"runs": 3, "values": [1.4079, 1.4447, 1.331], "mean": 1.3945, "spread": 0.1136}, "at": 1787192332}, "tier": 1, "relegate_reason": [], "submitted_at": 1787188804, "scored_at": 1787192332, "alerts": [], "rank": 6252}, {"candidate_id": "ODC-5149A7", "res_at": 1787146252, "skeleton": "MHKDRWAFUJZVBO", "hf_user": "rowett", "display_name": "CSH.CMC.rowett", "model_name": "anthropic/claude-opus-5", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········3)cc1", "total": 3.055, "axes": {"activity": 1.35, "binding": 0.74, "selectivity": 0.0, "admet": 0.46, "novelty": 0.28, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.281, "fraction": 0.045}, "binding": {"pIC50": 4.6, "LE": 0.332, "potency_term": 0.037, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.679, "per_endpoint": {"solubility-aqsoldb": 0.592, "caco2-wang": 0.908, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.701, "ld50-zhu": 0.559, "herg": 0.954, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.377, "novelty": 0.623}, "synthesis": {"sa_score": 2.13}}, "run": {"gpu": "3", "pAct_q10": 4.280919185947562, "aff_pf": 1.39802352587382, "aff_hs": 0.8603942394256592, "repeats_pf": {"runs": 3, "values": [1.4123, 1.3605, 1.4213], "mean": 1.398, "spread": 0.0608}, "repeats_hs": {"runs": 3, "values": [0.8302, 0.8836, 0.8674], "mean": 0.8604, "spread": 0.0534}, "at": 1787146252}, "tier": 1, "relegate_reason": [], "submitted_at": 1787143208, "scored_at": 1787146252, "alerts": [], "rank": 6253}, {"candidate_id": "ODC-D7A5D5", "res_at": 1786885344, "skeleton": "SZKDPJCRPBWUSB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 3.054, "axes": {"activity": 1.85, "binding": 0.11, "selectivity": 0.0, "admet": 0.6, "novelty": 0.19, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.407, "fraction": 0.062}, "binding": {"pIC50": 3.83, "LE": 0.309, "potency_term": 0.005, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.648, "per_endpoint": {"solubility-aqsoldb": 0.665, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.508, "cyp3a4-substrate-carbonmangels": 0.781, "ld50-zhu": 0.412, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.694, "novelty": 0.306}, "synthesis": {"sa_score": 1.69}}, "run": {"gpu": "3", "pAct_q10": 4.406508373553255, "aff_pf": 2.166382312774658, "aff_hs": 1.7849799394607544, "repeats_pf": {"runs": 3, "values": [2.1305, 2.1749, 2.1937], "mean": 2.1664, "spread": 0.0633}, "repeats_hs": {"runs": 3, "values": [1.7312, 1.7691, 1.8546], "mean": 1.785, "spread": 0.1234}, "at": 1786885344}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875247, "scored_at": 1786885344, "alerts": [], "rank": 6254}, {"candidate_id": "ODC-30767A", "res_at": 1786892773, "skeleton": "KYWFIEOZQTYHSH", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (research loop)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cn··········)(F)F", "total": 3.051, "axes": {"activity": 1.17, "binding": 0.93, "selectivity": 0.0, "admet": 0.47, "novelty": 0.33, "synthesis": 0.15}, "detail": {"activity": {"pAct_q10": 4.67, "fraction": 0.039}, "binding": {"pIC50": 5.14, "LE": 0.294, "potency_term": 0.048, "efficiency_cap": 0.979}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.048}, "admet": {"geometric_mean": 0.671, "per_endpoint": {"solubility-aqsoldb": 0.755, "caco2-wang": 0.737, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.82, "cyp3a4-substrate-carbonmangels": 0.716, "ld50-zhu": 0.529, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.8}}, "run": {"gpu": "2", "pAct_q10": 4.67015876281091, "aff_pf": 0.8571624755859375, "aff_hs": 0.6090811491012573, "repeats_pf": {"runs": 3, "values": [0.8307, 0.8074, 0.9334], "mean": 0.8572, "spread": 0.126}, "repeats_hs": {"runs": 3, "values": [0.6611, 0.5153, 0.6509], "mean": 0.6091, "spread": 0.1458}, "at": 1786892773}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884937, "scored_at": 1786892773, "alerts": [], "rank": 6255}, {"candidate_id": "ODC-AF6714", "res_at": 1787139738, "skeleton": "QFRKGUPSARBDQS", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1-R6", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "c1cc(C2··········nc2c1", "total": 3.051, "axes": {"activity": 1.66, "binding": 0.08, "selectivity": 0.0, "admet": 0.65, "novelty": 0.38, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.364, "fraction": 0.055}, "binding": {"pIC50": 3.72, "LE": 0.3, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.779, "per_endpoint": {"solubility-aqsoldb": 0.535, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.461, "herg": 1.0, "dili": 0.392}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "3", "pAct_q10": 4.363639424159766, "aff_pf": 2.278522491455078, "aff_hs": 2.1386617024739585, "repeats_pf": {"runs": 3, "values": [2.1566, 2.3282, 2.3508], "mean": 2.2785, "spread": 0.1942}, "repeats_hs": {"runs": 3, "values": [2.1855, 2.2343, 1.9962], "mean": 2.1387, "spread": 0.2381}, "at": 1787139738}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138515, "scored_at": 1787139738, "alerts": [], "rank": 6256}, {"candidate_id": "ODC-EB6DFC", "res_at": 1787255632, "skeleton": "AKZFQHMBKYXTRN", "hf_user": "hugh-kim84", "display_name": "Hugh Kim", "model_name": "claude-opus-4-8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)Oc··········3)cc1", "total": 3.043, "axes": {"activity": 1.63, "binding": 0.3, "selectivity": 0.0, "admet": 0.46, "novelty": 0.38, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.357, "fraction": 0.054}, "binding": {"pIC50": 4.26, "LE": 0.292, "potency_term": 0.016, "efficiency_cap": 0.972}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.559, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.356, "cyp3a4-substrate-carbonmangels": 0.996, "ld50-zhu": 0.338, "herg": 0.642, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 4.357191608805708, "aff_pf": 1.7443660497665405, "aff_hs": 1.1233807802200317, "repeats_pf": {"runs": 3, "values": [1.7385, 1.7324, 1.7622], "mean": 1.7444, "spread": 0.0299}, "repeats_hs": {"runs": 3, "values": [1.2125, 1.0691, 1.0886], "mean": 1.1234, "spread": 0.1434}, "at": 1787255632}, "tier": 1, "relegate_reason": [], "submitted_at": 1787249951, "scored_at": 1787255632, "alerts": [], "rank": 6257}, {"candidate_id": "ODC-1F219D", "res_at": 1787165178, "skeleton": "MMXMPVJDYFPJGM", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W7", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········2)cc1", "total": 3.039, "axes": {"activity": 1.73, "binding": 0.12, "selectivity": 0.0, "admet": 0.62, "novelty": 0.29, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.704, "fraction": 0.058}, "binding": {"pIC50": 3.97, "LE": 0.227, "potency_term": 0.008, "efficiency_cap": 0.756}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.716, "per_endpoint": {"solubility-aqsoldb": 0.747, "caco2-wang": 0.735, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.663, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.703703775965675, "aff_pf": 2.028645475705465, "aff_hs": 1.532271385192871, "repeats_pf": {"runs": 3, "values": [2.0479, 1.8858, 2.1522], "mean": 2.0286, "spread": 0.2665}, "repeats_hs": {"runs": 3, "values": [1.4952, 1.5173, 1.5844], "mean": 1.5323, "spread": 0.0892}, "at": 1787165178}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156232, "scored_at": 1787165178, "alerts": [], "rank": 6258}, {"candidate_id": "ODC-3CF4FE", "res_at": 1787099413, "skeleton": "LYJWOCSMRSAFIF", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1cc··········F)cc1", "total": 3.035, "axes": {"activity": 1.53, "binding": 0.63, "selectivity": 0.0, "admet": 0.3, "novelty": 0.32, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.692, "fraction": 0.051}, "binding": {"pIC50": 4.62, "LE": 0.244, "potency_term": 0.039, "efficiency_cap": 0.812}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.943, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.421, "ld50-zhu": 0.382, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "3", "pAct_q10": 4.691871403573567, "aff_pf": 1.3776092131932576, "aff_hs": 1.2478249073028564, "repeats_pf": {"runs": 3, "values": [1.3139, 1.3934, 1.4256], "mean": 1.3776, "spread": 0.1117}, "repeats_hs": {"runs": 3, "values": [1.3413, 1.1164, 1.2857], "mean": 1.2478, "spread": 0.2249}, "at": 1787099413}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097991, "scored_at": 1787099413, "alerts": [], "rank": 6259}, {"candidate_id": "ODC-3CA217", "res_at": 1786931056, "skeleton": "KUHVHEMSBFBTMW", "hf_user": "Techforlife", "display_name": "TechforHuman", "model_name": "GPT 5.6 SOL", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········O3)n1", "total": 3.019, "axes": {"activity": 0.68, "binding": 1.12, "selectivity": 0.0, "admet": 0.54, "novelty": 0.44, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.641, "fraction": 0.023}, "binding": {"pIC50": 4.77, "LE": 0.327, "potency_term": 0.056, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.644, "per_endpoint": {"solubility-aqsoldb": 0.424, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.554, "cyp3a4-substrate-carbonmangels": 0.475, "ld50-zhu": 0.758, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.206, "novelty": 0.794}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 4.6410421161456865, "aff_pf": 1.2315396865208943, "aff_hs": 0.7229577898979187, "repeats_pf": {"runs": 3, "values": [1.2163, 1.2696, 1.2087], "mean": 1.2315, "spread": 0.0609}, "repeats_hs": {"runs": 3, "values": [0.7484, 0.729, 0.6914], "mean": 0.723, "spread": 0.057}, "at": 1786931056}, "tier": 1, "relegate_reason": [], "submitted_at": 1786924916, "scored_at": 1786931056, "alerts": [], "rank": 6260}, {"candidate_id": "ODC-CEC81C", "res_at": 1787871804, "skeleton": "XSIZPMZLNRTLKT", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 3.016, "axes": {"activity": 1.47, "binding": 0.44, "selectivity": 0.03, "admet": 0.55, "novelty": 0.31, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.315, "fraction": 0.049}, "binding": {"pIC50": 5.07, "LE": 0.331, "potency_term": 0.022, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.078, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.747, "per_endpoint": {"solubility-aqsoldb": 0.789, "caco2-wang": 0.869, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.81, "ld50-zhu": 0.626, "herg": 0.64, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 4.3147200126511125, "aff_pf": 0.9334522684415182, "aff_hs": 1.0898008942604065, "repeats_pf": {"runs": 3, "values": [0.9607, 0.9565, 0.8832], "mean": 0.9335, "spread": 0.0775}, "repeats_hs": {"runs": 3, "values": [1.1046, 0.9809, 1.1839], "mean": 1.0898, "spread": 0.203}, "at": 1787864776}, "tier": 1, "relegate_reason": [], "submitted_at": 1787812197, "scored_at": 1787864776, "alerts": [], "rank": 6261}, {"candidate_id": "ODC-84F1CA", "res_at": 1786879509, "skeleton": "GXZZSIMZQGSQKH", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nH]c1", "total": 3.006, "axes": {"activity": 1.69, "binding": 0.13, "selectivity": 0.0, "admet": 0.55, "novelty": 0.35, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.371, "fraction": 0.056}, "binding": {"pIC50": 3.92, "LE": 0.358, "potency_term": 0.007, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.648, "per_endpoint": {"solubility-aqsoldb": 0.814, "caco2-wang": 0.823, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.257, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 1.89}}, "run": {"gpu": "2", "pAct_q10": 4.371204080502064, "aff_pf": 2.0798604488372803, "aff_hs": 1.4954763253529866, "repeats_pf": {"runs": 3, "values": [2.0947, 2.0854, 2.0595], "mean": 2.0799, "spread": 0.0351}, "repeats_hs": {"runs": 3, "values": [1.5034, 1.5052, 1.4778], "mean": 1.4955, "spread": 0.0275}, "at": 1786879509}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875236, "scored_at": 1786879509, "alerts": [], "rank": 6262}, {"candidate_id": "ODC-B92F95", "res_at": 1786888604, "skeleton": "OWKHKJVMWVCRKQ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········n2)c1", "total": 2.999, "axes": {"activity": 1.73, "binding": 0.1, "selectivity": 0.0, "admet": 0.57, "novelty": 0.31, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.38, "fraction": 0.058}, "binding": {"pIC50": 3.81, "LE": 0.307, "potency_term": 0.005, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.657, "per_endpoint": {"solubility-aqsoldb": 0.725, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.983, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.267, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 1.74}}, "run": {"gpu": "3", "pAct_q10": 4.380158728865153, "aff_pf": 2.1891043186187744, "aff_hs": 1.8208170334498088, "repeats_pf": {"runs": 3, "values": [2.2035, 2.185, 2.1788], "mean": 2.1891, "spread": 0.0248}, "repeats_hs": {"runs": 3, "values": [1.7823, 1.8646, 1.8156], "mean": 1.8208, "spread": 0.0823}, "at": 1786888604}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875297, "scored_at": 1786888604, "alerts": [], "rank": 6263}, {"candidate_id": "ODC-34AF19", "res_at": 1788454012, "skeleton": "QZQHBRNSOSWSCB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)O··········C2SC1", "total": 2.983, "axes": {"activity": 0.46, "binding": 1.43, "selectivity": 0.0, "admet": 0.29, "novelty": 0.51, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.627, "fraction": 0.015}, "binding": {"pIC50": 5.33, "LE": 0.197, "potency_term": 0.109, "efficiency_cap": 0.658}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.109}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.65, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.557, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "0", "pAct_q10": 4.6273381828911875, "aff_pf": 0.6726618607838949, "aff_hs": 0.5322453578313192, "repeats_pf": {"runs": 3, "values": [0.5598, 0.5339, 0.9244], "mean": 0.6727, "spread": 0.3905}, "repeats_hs": {"runs": 3, "values": [0.5348, 0.4919, 0.57], "mean": 0.5322, "spread": 0.0781}, "at": 1788454012}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.893, "total_ci95": [1.012, 4.147], "relegate_reason": [], "submitted_at": 1788394124, "scored_at": 1788454012, "rank": 6264}, {"candidate_id": "ODC-98EEF6", "res_at": 1787139378, "skeleton": "BLFZDHIRHPQTDJ", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1-R4", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········CCCC1", "total": 2.982, "axes": {"activity": 1.71, "binding": 0.08, "selectivity": 0.0, "admet": 0.69, "novelty": 0.22, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.374, "fraction": 0.057}, "binding": {"pIC50": 3.71, "LE": 0.339, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.812, "per_endpoint": {"solubility-aqsoldb": 0.962, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.369, "herg": 1.0, "dili": 0.348}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 1.55}}, "run": {"gpu": "3", "pAct_q10": 4.374048435175872, "aff_pf": 2.2892874081929526, "aff_hs": 1.8224279880523682, "repeats_pf": {"runs": 3, "values": [2.2542, 2.2793, 2.3344], "mean": 2.2893, "spread": 0.0801}, "repeats_hs": {"runs": 3, "values": [1.8993, 1.7554, 1.8126], "mean": 1.8224, "spread": 0.1438}, "at": 1787139378}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138471, "scored_at": 1787139378, "alerts": [], "rank": 6265}, {"candidate_id": "ODC-FE3D92", "res_at": 1786840406, "skeleton": "ATUOYWHBWRKTHZ", "hf_user": "chn-m1n", "display_name": "CCC", "model_name": "", "mw_band": "0-50", "visibility": "public", "smiles": "CCC", "smiles_masked": null, "total": 2.975, "axes": {"activity": 0.26, "binding": 1.3, "selectivity": 0.0, "admet": 0.64, "novelty": 0.45, "synthesis": 0.32}, "detail": {"activity": {"pAct_q10": 3.619, "fraction": 0.009}, "binding": {"pIC50": 4.83, "LE": 2.204, "potency_term": 0.065, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.055, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.662, "per_endpoint": {"solubility-aqsoldb": 0.91, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 1.75}}, "run": {"gpu": "2", "pAct_q10": 3.6191220067558927, "aff_pf": 1.1736572583516438, "aff_hs": 1.2840092579523723, "repeats_pf": {"runs": 3, "values": [1.2304, 1.1321, 1.1585], "mean": 1.1737, "spread": 0.0983}, "repeats_hs": {"runs": 3, "values": [1.2546, 1.3833, 1.2141], "mean": 1.284, "spread": 0.1691}, "at": 1786840406}, "tier": 1, "relegate_reason": [], "submitted_at": 1786805384, "scored_at": 1786840406, "alerts": [], "rank": 6266}, {"candidate_id": "ODC-30C357", "res_at": 1787071715, "skeleton": "RMCORAMSLNJWSI", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=O)(··········2)cc1", "total": 2.972, "axes": {"activity": 1.61, "binding": 0.34, "selectivity": 0.01, "admet": 0.38, "novelty": 0.37, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.697, "fraction": 0.054}, "binding": {"pIC50": 5.05, "LE": 0.288, "potency_term": 0.018, "efficiency_cap": 0.961}, "selectivity": {"fold": 1.2, "selectivity_term": 0.041, "target_engagement": 0.018}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.593, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.682, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.199, "herg": 0.912, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 4.696886050758761, "aff_pf": 0.9473489920298258, "aff_hs": 1.0300929546356201, "repeats_pf": {"runs": 3, "values": [1.0487, 0.8685, 0.9249], "mean": 0.9473, "spread": 0.1803}, "repeats_hs": {"runs": 3, "values": [0.9611, 0.9657, 1.1635], "mean": 1.0301, "spread": 0.2024}, "at": 1787071715}, "tier": 1, "relegate_reason": [], "submitted_at": 1787065984, "scored_at": 1787071715, "alerts": [], "rank": 6267}, {"candidate_id": "ODC-A22365", "res_at": 1786960044, "skeleton": "DSWDFIPWXMIRNT", "hf_user": "PhD-Shin", "display_name": "PhD-Shin B1", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········cncc1", "total": 2.967, "axes": {"activity": 1.5, "binding": 0.5, "selectivity": 0.09, "admet": 0.37, "novelty": 0.34, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.69, "fraction": 0.05}, "binding": {"pIC50": 5.11, "LE": 0.206, "potency_term": 0.036, "efficiency_cap": 0.686}, "selectivity": {"fold": 1.8, "selectivity_term": 0.127, "target_engagement": 0.036}, "admet": {"geometric_mean": 0.488, "per_endpoint": {"solubility-aqsoldb": 0.921, "caco2-wang": 0.17, "hia-hou": 0.974, "bioavailability-ma": 0.663, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.1, "ld50-zhu": 0.436, "herg": 0.339, "dili": 0.324}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.47}}, "run": {"gpu": "3", "pAct_q10": 4.68976124133051, "aff_pf": 0.8915579716364542, "aff_hs": 1.1453355153401692, "repeats_pf": {"runs": 3, "values": [0.7153, 0.8969, 1.0625], "mean": 0.8916, "spread": 0.3471}, "repeats_hs": {"runs": 3, "values": [1.1908, 0.9893, 1.2559], "mean": 1.1453, "spread": 0.2666}, "at": 1786960044}, "tier": 1, "relegate_reason": [], "submitted_at": 1786958972, "scored_at": 1786960044, "alerts": [], "rank": 6268}, {"candidate_id": "ODC-A5611E", "res_at": 1786879800, "skeleton": "VVTOAIFIMQSTAZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········n2)c1", "total": 2.958, "axes": {"activity": 1.73, "binding": 0.07, "selectivity": 0.0, "admet": 0.52, "novelty": 0.35, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.38, "fraction": 0.058}, "binding": {"pIC50": 3.67, "LE": 0.296, "potency_term": 0.004, "efficiency_cap": 0.986}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.738, "caco2-wang": 0.807, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.165, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "3", "pAct_q10": 4.3797655425530735, "aff_pf": 2.329108715057373, "aff_hs": 2.060080091158549, "repeats_pf": {"runs": 3, "values": [2.3179, 2.4208, 2.2486], "mean": 2.3291, "spread": 0.1722}, "repeats_hs": {"runs": 3, "values": [2.3586, 1.8657, 1.956], "mean": 2.0601, "spread": 0.4929}, "at": 1786879800}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871340, "scored_at": 1786879800, "alerts": [], "rank": 6269}, {"candidate_id": "ODC-019FBC", "res_at": 1789511459, "skeleton": "STNFJVXKZYOPJT", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 2.933, "axes": {"activity": 0.23, "binding": 1.41, "selectivity": 0.0, "admet": 0.52, "novelty": 0.42, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.614, "fraction": 0.008}, "binding": {"pIC50": 4.86, "LE": 0.317, "potency_term": 0.07, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.099, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 0.49, "caco2-wang": 0.917, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.528, "cyp2c9-veith": 0.074, "cyp3a4-substrate-carbonmangels": 0.387, "ld50-zhu": 0.423, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 1.81}}, "run": {"gpu": "0", "pAct_q10": 4.614052354656225, "aff_pf": 1.1411370833714802, "aff_hs": 1.3398551940917969, "repeats_pf": {"runs": 3, "values": [1.0727, 1.1837, 1.1671], "mean": 1.1411, "spread": 0.111}, "repeats_hs": {"runs": 3, "values": [1.3276, 1.4228, 1.2692], "mean": 1.3399, "spread": 0.1536}, "at": 1789511459}, "tier": 1, "alerts": [], "total_sd": 0.191, "total_ci95": [2.66, 3.436], "relegate_reason": [], "submitted_at": 1789495243, "scored_at": 1789511459, "rank": 6270}, {"candidate_id": "ODC-9B5793", "res_at": 1786881170, "skeleton": "GYYWBZYUXVRWBM", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nccn1", "total": 2.922, "axes": {"activity": 1.65, "binding": 0.09, "selectivity": 0.0, "admet": 0.58, "novelty": 0.33, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.361, "fraction": 0.055}, "binding": {"pIC50": 3.74, "LE": 0.32, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.7, "per_endpoint": {"solubility-aqsoldb": 0.827, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.729, "ld50-zhu": 0.436, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.393, "novelty": 0.607}, "synthesis": {"sa_score": 1.7}}, "run": {"gpu": "2", "pAct_q10": 4.360847149222741, "aff_pf": 2.2596017519632974, "aff_hs": 1.7895160913467407, "repeats_pf": {"runs": 3, "values": [2.2358, 2.3037, 2.2392], "mean": 2.2596, "spread": 0.0679}, "repeats_hs": {"runs": 3, "values": [1.7882, 1.8122, 1.7681], "mean": 1.7895, "spread": 0.0441}, "at": 1786881170}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875285, "scored_at": 1786881170, "alerts": [], "rank": 6271}, {"candidate_id": "ODC-59523C", "res_at": 1787461713, "skeleton": "KOYBAQPYFFGTQT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········C2)o1", "total": 2.901, "axes": {"activity": 1.65, "binding": 0.2, "selectivity": 0.0, "admet": 0.41, "novelty": 0.38, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.699, "fraction": 0.055}, "binding": {"pIC50": 4.12, "LE": 0.269, "potency_term": 0.011, "efficiency_cap": 0.895}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.5, "per_endpoint": {"solubility-aqsoldb": 0.497, "caco2-wang": 0.774, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.756, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.356, "herg": 0.05, "dili": 0.869}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 4.699232934550884, "aff_pf": 1.8832523028055828, "aff_hs": 1.5800937016805012, "repeats_pf": {"runs": 3, "values": [1.9037, 1.8391, 1.9069], "mean": 1.8833, "spread": 0.0678}, "repeats_hs": {"runs": 3, "values": [1.641, 1.5902, 1.5091], "mean": 1.5801, "spread": 0.1318}, "at": 1787461713}, "tier": 1, "relegate_reason": [], "submitted_at": 1787461537, "scored_at": 1787461713, "alerts": [], "rank": 6272}, {"candidate_id": "ODC-1A448C", "res_at": 1786880561, "skeleton": "AQDFOWWIQOKIRU", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········c2)c1", "total": 2.887, "axes": {"activity": 1.86, "binding": 0.04, "selectivity": 0.0, "admet": 0.47, "novelty": 0.22, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.408, "fraction": 0.062}, "binding": {"pIC50": 3.43, "LE": 0.277, "potency_term": 0.002, "efficiency_cap": 0.922}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.668, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.676, "ld50-zhu": 0.133, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.647, "novelty": 0.353}, "synthesis": {"sa_score": 1.52}}, "run": {"gpu": "3", "pAct_q10": 4.407935591898667, "aff_pf": 2.5679798126220703, "aff_hs": 2.21248451868693, "repeats_pf": {"runs": 3, "values": [2.6348, 2.5692, 2.5], "mean": 2.568, "spread": 0.1348}, "repeats_hs": {"runs": 3, "values": [2.0172, 2.4099, 2.2104], "mean": 2.2125, "spread": 0.3927}, "at": 1786880561}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871353, "scored_at": 1786880561, "alerts": [], "rank": 6273}, {"candidate_id": "ODC-447F06", "res_at": 1787595356, "skeleton": "GVNDNGAPOQURSG", "hf_user": "SiNet210", "display_name": "Mrazzerhood", "model_name": "Qwen3.8-based test model", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CC1=C(O··········)C1=O", "total": 2.877, "axes": {"activity": 1.65, "binding": 0.05, "selectivity": 0.0, "admet": 0.55, "novelty": 0.36, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.36, "fraction": 0.055}, "binding": {"pIC50": 5.01, "LE": 0.404, "potency_term": 0.002, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.002}, "admet": {"geometric_mean": 0.668, "per_endpoint": {"solubility-aqsoldb": 0.785, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.277, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.341, "novelty": 0.659}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 4.359776589825741, "aff_pf": 0.992652157942454, "aff_hs": 0.8784398635228475, "repeats_pf": {"runs": 3, "values": [0.9916, 1.0057, 0.9806], "mean": 0.9927, "spread": 0.0251}, "repeats_hs": {"runs": 3, "values": [0.9153, 0.7934, 0.9267], "mean": 0.8784, "spread": 0.1333}, "at": 1787595356}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787595182, "scored_at": 1787595356, "rank": 6274}, {"candidate_id": "ODC-3148D1", "res_at": 1787292262, "skeleton": "KOYBAQPYFFGTQT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········C2)o1", "total": 2.867, "axes": {"activity": 1.65, "binding": 0.18, "selectivity": 0.0, "admet": 0.4, "novelty": 0.38, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.699, "fraction": 0.055}, "binding": {"pIC50": 4.08, "LE": 0.266, "potency_term": 0.01, "efficiency_cap": 0.888}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.48, "per_endpoint": {"solubility-aqsoldb": 0.497, "caco2-wang": 0.825, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.356, "herg": 0.05, "dili": 0.869}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 4.699232934550884, "aff_pf": 1.9166741768519084, "aff_hs": 1.7694388230641682, "repeats_pf": {"runs": 3, "values": [1.8937, 1.918, 1.9384], "mean": 1.9167, "spread": 0.0447}, "repeats_hs": {"runs": 3, "values": [1.7023, 1.8905, 1.7156], "mean": 1.7694, "spread": 0.1882}, "at": 1787292262}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290812, "scored_at": 1787292262, "alerts": [], "rank": 6275}, {"candidate_id": "ODC-369812", "res_at": 1787147736, "skeleton": "XDWLMHWCNPTOFR", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········[nH]1", "total": 2.86, "axes": {"activity": 1.04, "binding": 0.89, "selectivity": 0.0, "admet": 0.42, "novelty": 0.29, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.175, "fraction": 0.035}, "binding": {"pIC50": 4.68, "LE": 0.356, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.63, "per_endpoint": {"solubility-aqsoldb": 0.63, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.28, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "3", "pAct_q10": 4.175050809262071, "aff_pf": 1.3227566083272297, "aff_hs": 1.1704581181208293, "repeats_pf": {"runs": 3, "values": [1.4134, 1.3149, 1.24], "mean": 1.3228, "spread": 0.1734}, "repeats_hs": {"runs": 3, "values": [1.1423, 1.1259, 1.2432], "mean": 1.1705, "spread": 0.1172}, "at": 1787147736}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145067, "scored_at": 1787147736, "alerts": [], "rank": 6276}, {"candidate_id": "ODC-769B0D", "res_at": 1786879692, "skeleton": "QXVSZZRIGDEOOB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 2.852, "axes": {"activity": 1.77, "binding": 0.08, "selectivity": 0.0, "admet": 0.46, "novelty": 0.25, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.389, "fraction": 0.059}, "binding": {"pIC50": 3.7, "LE": 0.317, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.693, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.097, "cyp3a4-substrate-carbonmangels": 0.495, "ld50-zhu": 0.221, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.578, "novelty": 0.422}, "synthesis": {"sa_score": 1.46}}, "run": {"gpu": "2", "pAct_q10": 4.388796477790262, "aff_pf": 2.2950207392374673, "aff_hs": 2.191833019256592, "repeats_pf": {"runs": 3, "values": [2.3162, 2.2775, 2.2914], "mean": 2.295, "spread": 0.0386}, "repeats_hs": {"runs": 3, "values": [2.2131, 2.1579, 2.2045], "mean": 2.1918, "spread": 0.0552}, "at": 1786879692}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875243, "scored_at": 1786879692, "alerts": [], "rank": 6277}, {"candidate_id": "ODC-A69D3B", "res_at": 1788507525, "skeleton": "LIAPFQBMGUAHPQ", "hf_user": "dlghkdueo", "display_name": "R6-D4", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)c1F", "total": 2.795, "axes": {"activity": 0.61, "binding": 1.09, "selectivity": 0.0, "admet": 0.47, "novelty": 0.36, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.636, "fraction": 0.02}, "binding": {"pIC50": 4.76, "LE": 0.31, "potency_term": 0.055, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.568, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.792, "cyp3a4-substrate-carbonmangels": 0.499, "ld50-zhu": 0.314, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 4.636398967649174, "aff_pf": 1.2417709827423096, "aff_hs": 1.0426642894744873, "repeats_pf": {"runs": 3, "values": [1.0521, 1.1585, 1.5147], "mean": 1.2418, "spread": 0.4625}, "repeats_hs": {"runs": 3, "values": [1.0877, 1.0742, 0.966], "mean": 1.0427, "spread": 0.1217}, "at": 1788507525}, "tier": 1, "alerts": [], "total_sd": 0.643, "total_ci95": [1.686, 4.123], "relegate_reason": [], "submitted_at": 1788448043, "scored_at": 1788507525, "rank": 6278}, {"candidate_id": "ODC-C09005", "res_at": 1787291706, "skeleton": "BLNGWIXAIYUPKL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1ccc(··········cc1=O", "total": 2.792, "axes": {"activity": 1.39, "binding": 0.44, "selectivity": 0.0, "admet": 0.38, "novelty": 0.36, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.292, "fraction": 0.046}, "binding": {"pIC50": 5.07, "LE": 0.315, "potency_term": 0.022, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.548, "per_endpoint": {"solubility-aqsoldb": 0.385, "caco2-wang": 0.975, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.596, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.436, "herg": 0.2, "dili": 0.761}}, "novelty": {"max_tanimoto": 0.217, "novelty": 0.783}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 4.292060458291998, "aff_pf": 0.9342679977416992, "aff_hs": 0.7194960316022238, "repeats_pf": {"runs": 3, "values": [0.8896, 1.0215, 0.8917], "mean": 0.9343, "spread": 0.1319}, "repeats_hs": {"runs": 3, "values": [0.7026, 0.7943, 0.6615], "mean": 0.7195, "spread": 0.1328}, "at": 1787291706}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290774, "scored_at": 1787291706, "alerts": [], "rank": 6279}, {"candidate_id": "Teriflunomide", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 2.79, "tier": 1, "axes": {"activity": 1.66, "binding": 0.0, "selectivity": 0.0, "admet": 0.51, "novelty": 0.35, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.362, "fraction": 0.055}, "binding": {"reason": "도킹 없음"}, "selectivity": {"reason": "쌍 측정 없음"}, "admet": {"geometric_mean": 0.614, "per_endpoint": {"solubility-aqsoldb": 0.575, "caco2-wang": 0.851, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.568, "cyp3a4-substrate-carbonmangels": 0.21, "ld50-zhu": 0.459, "herg": 1.0, "dili": 0.11}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 2.27}}, "note": "승인약이지만 사람 DHODH를 억제한다 (선택성 반례)", "note_en": "approved drug, but hits human DHODH (counter-control)", "rank": null}, {"candidate_id": "ODC-2D20D1", "res_at": 1787282854, "skeleton": "UHOCMOVNSACRGI", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········F)cn1", "total": 2.78, "axes": {"activity": 1.33, "binding": 0.64, "selectivity": 0.0, "admet": 0.33, "novelty": 0.32, "synthesis": 0.16}, "detail": {"activity": {"pAct_q10": 4.68, "fraction": 0.044}, "binding": {"pIC50": 4.6, "LE": 0.262, "potency_term": 0.036, "efficiency_cap": 0.875}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.492, "per_endpoint": {"solubility-aqsoldb": 0.543, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.327, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.367, "herg": 0.735, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 4.679854014472442, "aff_pf": 1.4036476612091064, "aff_hs": 0.5202634185552597, "repeats_pf": {"runs": 3, "values": [1.262, 1.4987, 1.4502], "mean": 1.4036, "spread": 0.2366}, "repeats_hs": {"runs": 3, "values": [0.165, 1.1548, 0.241], "mean": 0.5203, "spread": 0.9898}, "at": 1787282854}, "tier": 1, "relegate_reason": [], "submitted_at": 1787279534, "scored_at": 1787282854, "alerts": [], "rank": 6280}, {"candidate_id": "ODC-B4F1FB", "res_at": 1787074320, "skeleton": "BEFSGOYKOIKFJD", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)cc1", "total": 2.775, "axes": {"activity": 0.56, "binding": 1.11, "selectivity": 0.0, "admet": 0.48, "novelty": 0.34, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.634, "fraction": 0.019}, "binding": {"pIC50": 4.8, "LE": 0.274, "potency_term": 0.061, "efficiency_cap": 0.913}, "selectivity": {"fold": 2.0, "selectivity_term": 0.151, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.776, "caco2-wang": 0.643, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.665, "cyp3a4-substrate-carbonmangels": 0.496, "ld50-zhu": 0.291, "herg": 0.05, "dili": 0.766}}, "novelty": {"max_tanimoto": 0.382, "novelty": 0.618}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.633824900352836, "aff_pf": 1.1993237336476643, "aff_hs": 1.5010559956232707, "repeats_pf": {"runs": 3, "values": [1.2058, 1.2065, 1.1856], "mean": 1.1993, "spread": 0.0209}, "repeats_hs": {"runs": 3, "values": [1.5239, 1.5324, 1.4469], "mean": 1.5011, "spread": 0.0855}, "at": 1787074320}, "tier": 1, "relegate_reason": [], "submitted_at": 1787066144, "scored_at": 1787074320, "alerts": [], "rank": 6281}, {"candidate_id": "ODC-3C9A28", "res_at": 1786881916, "skeleton": "BKEILTPBZVKSIB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········C)cc1", "total": 2.772, "axes": {"activity": 1.32, "binding": 0.61, "selectivity": 0.0, "admet": 0.37, "novelty": 0.25, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.27, "fraction": 0.044}, "binding": {"pIC50": 4.53, "LE": 0.345, "potency_term": 0.031, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.065, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.85, "caco2-wang": 0.896, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.352, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.423, "novelty": 0.577}, "synthesis": {"sa_score": 1.76}}, "run": {"gpu": "2", "pAct_q10": 4.270421833780534, "aff_pf": 1.4728929201761882, "aff_hs": 1.6034661134084065, "repeats_pf": {"runs": 3, "values": [1.4267, 1.4951, 1.4968], "mean": 1.4729, "spread": 0.0701}, "repeats_hs": {"runs": 3, "values": [1.6287, 1.469, 1.7126], "mean": 1.6035, "spread": 0.2436}, "at": 1786881916}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875304, "scored_at": 1786881916, "alerts": [], "rank": 6282}, {"candidate_id": "ODC-2E51F5", "res_at": 1786888979, "skeleton": "MDWPRWHLVBVLPI", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 2.764, "axes": {"activity": 1.61, "binding": 0.22, "selectivity": 0.0, "admet": 0.36, "novelty": 0.31, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.351, "fraction": 0.054}, "binding": {"pIC50": 4.12, "LE": 0.353, "potency_term": 0.011, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.593, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.376, "ld50-zhu": 0.05, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.429, "novelty": 0.571}, "synthesis": {"sa_score": 1.62}}, "run": {"gpu": "3", "pAct_q10": 4.350983019987865, "aff_pf": 1.8789469798405964, "aff_hs": 1.808586597442627, "repeats_pf": {"runs": 3, "values": [1.8238, 1.9084, 1.9046], "mean": 1.8789, "spread": 0.0846}, "repeats_hs": {"runs": 3, "values": [1.7123, 1.889, 1.8245], "mean": 1.8086, "spread": 0.1767}, "at": 1786888979}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875302, "scored_at": 1786888979, "alerts": [], "rank": 6283}, {"candidate_id": "ODC-B54B5B", "res_at": 1786889551, "skeleton": "AYEYXGWYGBAATB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········n2)c1", "total": 2.76, "axes": {"activity": 1.62, "binding": 0.1, "selectivity": 0.0, "admet": 0.49, "novelty": 0.29, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.353, "fraction": 0.054}, "binding": {"pIC50": 3.79, "LE": 0.324, "potency_term": 0.005, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.053, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.605, "per_endpoint": {"solubility-aqsoldb": 0.737, "caco2-wang": 0.833, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.168, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 2.25}}, "run": {"gpu": "3", "pAct_q10": 4.3532718129794015, "aff_pf": 2.2136947313944497, "aff_hs": 2.3190746307373047, "repeats_pf": {"runs": 3, "values": [2.2092, 2.248, 2.1839], "mean": 2.2137, "spread": 0.064}, "repeats_hs": {"runs": 3, "values": [2.3007, 2.3755, 2.2811], "mean": 2.3191, "spread": 0.0944}, "at": 1786889551}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875314, "scored_at": 1786889551, "alerts": [], "rank": 6284}, {"candidate_id": "ODC-5D904A", "res_at": 1787647179, "skeleton": "ZUWDXRBMUSRNNI", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C)C(··········cnn12", "total": 2.756, "axes": {"activity": 0.92, "binding": 0.88, "selectivity": 0.1, "admet": 0.37, "novelty": 0.27, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.129, "fraction": 0.031}, "binding": {"pIC50": 5.13, "LE": 0.306, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.116, "target_engagement": 0.044}, "admet": {"geometric_mean": 0.554, "per_endpoint": {"solubility-aqsoldb": 0.752, "caco2-wang": 0.817, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.424, "herg": 0.831, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.394, "novelty": 0.606}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "3", "pAct_q10": 4.128880095293603, "aff_pf": 0.8677679498990377, "aff_hs": 1.1000924110412598, "repeats_pf": {"runs": 3, "values": [0.8629, 0.8774, 0.863], "mean": 0.8678, "spread": 0.0145}, "repeats_hs": {"runs": 3, "values": [1.1375, 1.0408, 1.122], "mean": 1.1001, "spread": 0.0967}, "at": 1787647179}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641373, "scored_at": 1787647179, "alerts": [], "rank": 6285}, {"candidate_id": "ODC-D3D62A", "res_at": 1787149061, "skeleton": "JCZMBXRDKIPRNQ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "150-200", "visibility": "public", "smiles": "CCc1cccc2[nH]c(C(N)=O)cc12", "smiles_masked": null, "total": 2.735, "axes": {"activity": 0.71, "binding": 0.94, "selectivity": 0.06, "admet": 0.48, "novelty": 0.31, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.025, "fraction": 0.024}, "binding": {"pIC50": 5.14, "LE": 0.503, "potency_term": 0.047, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.068, "target_engagement": 0.047}, "admet": {"geometric_mean": 0.687, "per_endpoint": {"solubility-aqsoldb": 0.811, "caco2-wang": 0.814, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.404, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.12}}, "run": {"gpu": "3", "pAct_q10": 4.024571584236874, "aff_pf": 0.8596885402997335, "aff_hs": 0.9948644836743673, "repeats_pf": {"runs": 3, "values": [0.9298, 0.8483, 0.801], "mean": 0.8597, "spread": 0.1287}, "repeats_hs": {"runs": 3, "values": [0.9909, 0.7593, 1.2344], "mean": 0.9949, "spread": 0.4751}, "at": 1787149061}, "tier": 1, "relegate_reason": [], "submitted_at": 1787145388, "scored_at": 1787149061, "alerts": [], "rank": 6286}, {"candidate_id": "ODC-69E345", "res_at": 1788507675, "skeleton": "SOVMYUZFWMTPAD", "hf_user": "dlghkdueo", "display_name": "R6-E4", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)c1F", "total": 2.735, "axes": {"activity": 0.69, "binding": 0.92, "selectivity": 0.21, "admet": 0.4, "novelty": 0.29, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.642, "fraction": 0.023}, "binding": {"pIC50": 5.14, "LE": 0.335, "potency_term": 0.046, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.046}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.56, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.264, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.2}}, "run": {"gpu": "0", "pAct_q10": 4.641604873507826, "aff_pf": 0.8621572256088257, "aff_hs": 1.3238646984100342, "repeats_pf": {"runs": 3, "values": [0.7865, 0.8791, 0.9209], "mean": 0.8622, "spread": 0.1345}, "repeats_hs": {"runs": 3, "values": [1.2727, 1.4703, 1.2286], "mean": 1.3239, "spread": 0.2417}, "at": 1788507675}, "tier": 1, "alerts": [], "total_sd": 0.481, "total_ci95": [1.85, 3.842], "relegate_reason": [], "submitted_at": 1788448294, "scored_at": 1788507675, "rank": 6287}, {"candidate_id": "ODC-7BAFC0", "res_at": 1786880612, "skeleton": "SRPXJYRIMMGYIB", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 2.666, "axes": {"activity": 1.55, "binding": 0.12, "selectivity": 0.0, "admet": 0.48, "novelty": 0.26, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.336, "fraction": 0.052}, "binding": {"pIC50": 3.86, "LE": 0.331, "potency_term": 0.006, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.619, "per_endpoint": {"solubility-aqsoldb": 0.736, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.386, "ld50-zhu": 0.267, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 1.46}}, "run": {"gpu": "2", "pAct_q10": 4.336466839946763, "aff_pf": 2.138685703277588, "aff_hs": 1.8651361068089802, "repeats_pf": {"runs": 3, "values": [2.0924, 2.1205, 2.2031], "mean": 2.1387, "spread": 0.1107}, "repeats_hs": {"runs": 3, "values": [1.8696, 1.9301, 1.7957], "mean": 1.8651, "spread": 0.1343}, "at": 1786880612}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875269, "scored_at": 1786880612, "alerts": [], "rank": 6288}, {"candidate_id": "ODC-DBC9D3", "res_at": 1788829935, "skeleton": "YWVHFFLHPLUCCT", "hf_user": "daehan1123", "display_name": "Hanguri-GPT-1", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········nH]n1", "total": 2.64, "axes": {"activity": 0.5, "binding": 1.05, "selectivity": 0.0, "admet": 0.45, "novelty": 0.37, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.63, "fraction": 0.017}, "binding": {"pIC50": 4.74, "LE": 0.325, "potency_term": 0.053, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.98, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.398, "cyp3a4-substrate-carbonmangels": 0.306, "ld50-zhu": 0.481, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 4.630106107099061, "aff_pf": 1.2572818597157795, "aff_hs": 0.10697657863299052, "repeats_pf": {"runs": 3, "values": [1.2452, 1.2288, 1.2978], "mean": 1.2573, "spread": 0.069}, "repeats_hs": {"runs": 3, "values": [0.0868, 0.1668, 0.0673], "mean": 0.107, "spread": 0.0996}, "at": 1788829935}, "tier": 1, "alerts": [], "total_sd": 0.084, "total_ci95": [2.434, 2.767], "relegate_reason": [], "submitted_at": 1788828192, "scored_at": 1788829935, "rank": 6289}, {"candidate_id": "ODC-1395A7", "res_at": 1786917292, "skeleton": "PHLLSZPJPIRCNV", "hf_user": "cpyi", "display_name": "CPYI", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CS(=N)(··········2)cc1", "total": 2.621, "axes": {"activity": 1.28, "binding": 0.54, "selectivity": 0.04, "admet": 0.3, "novelty": 0.25, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.677, "fraction": 0.043}, "binding": {"pIC50": 5.08, "LE": 0.29, "potency_term": 0.028, "efficiency_cap": 0.967}, "selectivity": {"fold": 1.4, "selectivity_term": 0.066, "target_engagement": 0.028}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.852, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.769, "cyp3a4-substrate-carbonmangels": 0.098, "ld50-zhu": 0.228, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.424, "novelty": 0.576}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 4.677020252107896, "aff_pf": 0.915563146273295, "aff_hs": 1.048081914583842, "repeats_pf": {"runs": 3, "values": [0.7903, 1.1051, 0.8513], "mean": 0.9156, "spread": 0.3148}, "repeats_hs": {"runs": 3, "values": [0.9826, 1.1548, 1.0068], "mean": 1.0481, "spread": 0.1722}, "at": 1786917292}, "tier": 1, "relegate_reason": [], "submitted_at": 1786915693, "scored_at": 1786917292, "alerts": [], "rank": 6290}, {"candidate_id": "ODC-9AD1C5", "res_at": 1787098118, "skeleton": "UHBQZXPKMDQSBY", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(c1no··········F)CC1", "total": 2.604, "axes": {"activity": 0.49, "binding": 1.08, "selectivity": 0.0, "admet": 0.4, "novelty": 0.4, "synthesis": 0.24}, "detail": {"activity": {"pAct_q10": 4.629, "fraction": 0.016}, "binding": {"pIC50": 5.16, "LE": 0.295, "potency_term": 0.055, "efficiency_cap": 0.983}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.055}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.359, "caco2-wang": 0.975, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.454, "cyp3a4-substrate-carbonmangels": 0.307, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.141}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "3", "pAct_q10": 4.629169243952553, "aff_pf": 0.8352323174476624, "aff_hs": 0.4269163906574249, "repeats_pf": {"runs": 3, "values": [0.7733, 0.8808, 0.8516], "mean": 0.8352, "spread": 0.1074}, "repeats_hs": {"runs": 3, "values": [0.4463, 0.4427, 0.3918], "mean": 0.4269, "spread": 0.0545}, "at": 1787098118}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097913, "scored_at": 1787098118, "alerts": [], "rank": 6291}, {"candidate_id": "ODC-AB02F8", "res_at": 1788080784, "skeleton": "BLVYDXWQBKKHKT", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········)F)n1", "total": 2.572, "axes": {"activity": 0.91, "binding": 0.9, "selectivity": 0.0, "admet": 0.29, "novelty": 0.25, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.655, "fraction": 0.03}, "binding": {"pIC50": 4.74, "LE": 0.26, "potency_term": 0.052, "efficiency_cap": 0.865}, "selectivity": {"fold": 1.7, "selectivity_term": 0.119, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.436, "per_endpoint": {"solubility-aqsoldb": 0.104, "caco2-wang": 0.963, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.789, "cyp3a4-substrate-carbonmangels": 0.361, "ld50-zhu": 0.311, "herg": 0.285, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.442, "novelty": 0.558}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 4.6545040784427405, "aff_pf": 1.263227939605713, "aff_hs": 1.5018696784973145, "repeats_pf": {"runs": 3, "values": [1.3012, 1.268, 1.2205], "mean": 1.2632, "spread": 0.0807}, "repeats_hs": {"runs": 3, "values": [1.6164, 1.5102, 1.379], "mean": 1.5019, "spread": 0.2374}, "at": 1788080784}, "tier": 1, "alerts": [], "total_sd": 0.082, "total_ci95": [2.455, 2.776], "relegate_reason": [], "submitted_at": 1788058621, "scored_at": 1788080784, "rank": 6292}, {"candidate_id": "ODC-23B7B1", "res_at": 1786886531, "skeleton": "BNGISLJOGQEDKR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 2.565, "axes": {"activity": 1.27, "binding": 0.41, "selectivity": 0.0, "admet": 0.42, "novelty": 0.25, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.256, "fraction": 0.042}, "binding": {"pIC50": 4.37, "LE": 0.427, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.7, "selectivity_term": 0.111, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.66, "per_endpoint": {"solubility-aqsoldb": 0.849, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.756, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.268, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "3", "pAct_q10": 4.2559382776579895, "aff_pf": 1.632262150446574, "aff_hs": 1.8533260027567546, "repeats_pf": {"runs": 3, "values": [1.6932, 1.5782, 1.6254], "mean": 1.6323, "spread": 0.115}, "repeats_hs": {"runs": 3, "values": [1.777, 1.8864, 1.8966], "mean": 1.8533, "spread": 0.1196}, "at": 1786886531}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875264, "scored_at": 1786886531, "alerts": [], "rank": 6293}, {"candidate_id": "ODC-BEFBCA", "res_at": 1788084590, "skeleton": "CLRLQWBJSMFFHZ", "hf_user": "highpolygonal", "display_name": "test", "model_name": "", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C1NC(··········C=C12", "total": 2.564, "axes": {"activity": 1.32, "binding": 0.37, "selectivity": 0.0, "admet": 0.43, "novelty": 0.35, "synthesis": 0.09}, "detail": {"activity": {"pAct_q10": 4.271, "fraction": 0.044}, "binding": {"pIC50": 4.33, "LE": 0.329, "potency_term": 0.019, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.658, "per_endpoint": {"solubility-aqsoldb": 0.999, "caco2-wang": 0.214, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.228, "herg": 1.0, "dili": 0.793}}, "novelty": {"max_tanimoto": 0.195, "novelty": 0.805}, "synthesis": {"sa_score": 4.63}}, "run": {"gpu": "0", "pAct_q10": 4.27108704056689, "aff_pf": 1.671675205230713, "aff_hs": 1.5842564503351848, "repeats_pf": {"runs": 3, "values": [1.7039, 1.5745, 1.7366], "mean": 1.6717, "spread": 0.1621}, "repeats_hs": {"runs": 3, "values": [1.5672, 1.6326, 1.553], "mean": 1.5843, "spread": 0.0796}, "at": 1788084590}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.038, "total_ci95": [2.509, 2.667], "relegate_reason": [], "submitted_at": 1788076240, "scored_at": 1788084590, "rank": 6294}, {"candidate_id": "ODC-989DE5", "res_at": 1788077191, "skeleton": "NMEWLXLFMPUQOF", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 2.543, "axes": {"activity": 1.2, "binding": 0.57, "selectivity": 0.0, "admet": 0.37, "novelty": 0.21, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.233, "fraction": 0.04}, "binding": {"pIC50": 4.5, "LE": 0.308, "potency_term": 0.028, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.646, "cyp3a4-substrate-carbonmangels": 0.628, "ld50-zhu": 0.398, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "0", "pAct_q10": 4.232729595023208, "aff_pf": 1.5038152535756428, "aff_hs": 1.618263840675354, "repeats_pf": {"runs": 3, "values": [1.5253, 1.5019, 1.4843], "mean": 1.5038, "spread": 0.041}, "repeats_hs": {"runs": 3, "values": [1.472, 1.7559, 1.6269], "mean": 1.6183, "spread": 0.2839}, "at": 1788077191}, "tier": 1, "alerts": [], "total_sd": 0.014, "total_ci95": [2.513, 2.571], "relegate_reason": [], "submitted_at": 1788028878, "scored_at": 1788077191, "rank": 6295}, {"candidate_id": "ODC-145925", "res_at": 1787939005, "skeleton": "POJLIZOYUQFQEW", "hf_user": "dlghkdueo", "display_name": "SOMANG-A2", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 2.54, "axes": {"activity": 0.4, "binding": 1.09, "selectivity": 0.0, "admet": 0.43, "novelty": 0.35, "synthesis": 0.27}, "detail": {"activity": {"pAct_q10": 4.624, "fraction": 0.013}, "binding": {"pIC50": 5.16, "LE": 0.308, "potency_term": 0.054, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.054}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.366, "cyp3a4-substrate-carbonmangels": 0.441, "ld50-zhu": 0.545, "herg": 0.866, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.638}, "synthesis": {"sa_score": 2.19}}, "run": {"gpu": "3", "pAct_q10": 4.624129104566856, "aff_pf": 0.8365572293599447, "aff_hs": 0.03068654735883077, "repeats_pf": {"runs": 3, "values": [0.9148, 0.7645, 0.8304], "mean": 0.8366, "spread": 0.1503}, "repeats_hs": {"runs": 3, "values": [-0.0441, 0.2581, -0.1219], "mean": 0.0307, "spread": 0.38}, "at": 1787939005}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936512, "scored_at": 1787939005, "alerts": [], "rank": 6296}, {"candidate_id": "ODC-B28691", "res_at": 1787553694, "skeleton": "PHLWNRQPCKDYLQ", "hf_user": "filex815", "display_name": "filex815", "model_name": "Ox-alpha", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 2.531, "axes": {"activity": 1.22, "binding": 0.33, "selectivity": 0.0, "admet": 0.49, "novelty": 0.29, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.673, "fraction": 0.041}, "binding": {"pIC50": 4.28, "LE": 0.326, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.801, "per_endpoint": {"solubility-aqsoldb": 0.729, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.795, "ld50-zhu": 0.354, "herg": 0.677, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 4.673091761157473, "aff_pf": 1.7160712083180745, "aff_hs": 1.609053651491801, "repeats_pf": {"runs": 3, "values": [1.7473, 1.7588, 1.6421], "mean": 1.7161, "spread": 0.1167}, "repeats_hs": {"runs": 3, "values": [1.6977, 1.7111, 1.4183], "mean": 1.6091, "spread": 0.2928}, "at": 1787553694}, "tier": 1, "relegate_reason": [], "submitted_at": 1787536192, "scored_at": 1787553694, "alerts": [], "rank": 6297}, {"candidate_id": "ODC-F8071F", "res_at": 1786880051, "skeleton": "SHWNSLZQXPGWPJ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "CCn1cc(··········2)cn1", "total": 2.493, "axes": {"activity": 1.42, "binding": 0.11, "selectivity": 0.0, "admet": 0.47, "novelty": 0.26, "synthesis": 0.24}, "detail": {"activity": {"pAct_q10": 4.301, "fraction": 0.047}, "binding": {"pIC50": 3.85, "LE": 0.33, "potency_term": 0.006, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.658, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.979, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.198, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 2.02}}, "run": {"gpu": "3", "pAct_q10": 4.300904115309869, "aff_pf": 2.1479592323303223, "aff_hs": 2.092036406199137, "repeats_pf": {"runs": 3, "values": [2.1815, 2.0492, 2.2132], "mean": 2.148, "spread": 0.164}, "repeats_hs": {"runs": 3, "values": [2.1028, 2.0909, 2.0824], "mean": 2.092, "spread": 0.0204}, "at": 1786880051}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871343, "scored_at": 1786880051, "alerts": [], "rank": 6298}, {"candidate_id": "ODC-604BE5", "res_at": 1786881044, "skeleton": "GSNFYOQDXZLILZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccoc1", "total": 2.491, "axes": {"activity": 1.35, "binding": 0.31, "selectivity": 0.0, "admet": 0.37, "novelty": 0.24, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.279, "fraction": 0.045}, "binding": {"pIC50": 4.26, "LE": 0.417, "potency_term": 0.016, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.772, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.068, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.474, "novelty": 0.526}, "synthesis": {"sa_score": 1.65}}, "run": {"gpu": "3", "pAct_q10": 4.27939333069581, "aff_pf": 1.7419160604476929, "aff_hs": 1.7039531469345093, "repeats_pf": {"runs": 3, "values": [1.8559, 1.6589, 1.711], "mean": 1.7419, "spread": 0.197}, "repeats_hs": {"runs": 3, "values": [1.8382, 1.3777, 1.896], "mean": 1.704, "spread": 0.5183}, "at": 1786881044}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871361, "scored_at": 1786881044, "alerts": [], "rank": 6299}, {"candidate_id": "ODC-18F58A", "res_at": 1789503267, "skeleton": "FGKMCJBUVQPOBZ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 2.485, "axes": {"activity": 1.33, "binding": 0.15, "selectivity": 0.0, "admet": 0.5, "novelty": 0.29, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.274, "fraction": 0.044}, "binding": {"pIC50": 4.01, "LE": 0.261, "potency_term": 0.008, "efficiency_cap": 0.871}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.756, "per_endpoint": {"solubility-aqsoldb": 0.726, "caco2-wang": 0.954, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.757, "cyp3a4-substrate-carbonmangels": 0.317, "ld50-zhu": 0.361, "herg": 1.0, "dili": 0.993}}, "novelty": {"max_tanimoto": 0.351, "novelty": 0.649}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "0", "pAct_q10": 4.274201469718312, "aff_pf": 1.9932514826456706, "aff_hs": 1.6938727299372356, "repeats_pf": {"runs": 3, "values": [2.0913, 1.9174, 1.9711], "mean": 1.9933, "spread": 0.1738}, "repeats_hs": {"runs": 3, "values": [1.6882, 1.6441, 1.7493], "mean": 1.6939, "spread": 0.1052}, "at": 1789503267}, "tier": 1, "alerts": [], "total_sd": 0.017, "total_ci95": [2.45, 2.518], "relegate_reason": [], "submitted_at": 1789491538, "scored_at": 1789503267, "rank": 6300}, {"candidate_id": "ODC-48EF01", "res_at": 1786886905, "skeleton": "BIIGKWRZEOUZSI", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 2.473, "axes": {"activity": 1.52, "binding": 0.05, "selectivity": 0.0, "admet": 0.41, "novelty": 0.23, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.329, "fraction": 0.051}, "binding": {"pIC50": 3.57, "LE": 0.288, "potency_term": 0.003, "efficiency_cap": 0.959}, "selectivity": {"fold": 1.2, "selectivity_term": 0.034, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.543, "per_endpoint": {"solubility-aqsoldb": 0.721, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.702, "cyp3a4-substrate-carbonmangels": 0.399, "ld50-zhu": 0.121, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 1.44}}, "run": {"gpu": "3", "pAct_q10": 4.329351170609607, "aff_pf": 2.4296693007151284, "aff_hs": 2.4968720277150473, "repeats_pf": {"runs": 3, "values": [2.3375, 2.4956, 2.4559], "mean": 2.4297, "spread": 0.1581}, "repeats_hs": {"runs": 3, "values": [2.4659, 2.4107, 2.614], "mean": 2.4969, "spread": 0.2033}, "at": 1786886905}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875271, "scored_at": 1786886905, "alerts": [], "rank": 6301}, {"candidate_id": "ODC-5B04B1", "res_at": 1787947269, "skeleton": "DROXJCXQFOPSTB", "hf_user": "dlghkdueo", "display_name": "SOMANG-A8", "model_name": "Claude", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········2)cc1", "total": 2.472, "axes": {"activity": 1.13, "binding": 0.61, "selectivity": 0.0, "admet": 0.33, "novelty": 0.22, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.668, "fraction": 0.038}, "binding": {"pIC50": 5.09, "LE": 0.349, "potency_term": 0.031, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.031}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.636, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.433, "herg": 0.545, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.408, "novelty": 0.592}, "synthesis": {"sa_score": 2.12}}, "run": {"gpu": "0", "pAct_q10": 4.66754251174471, "aff_pf": 0.9082926114400228, "aff_hs": 0.8866519927978516, "repeats_pf": {"runs": 3, "values": [0.9134, 0.9473, 0.8642], "mean": 0.9083, "spread": 0.0831}, "repeats_hs": {"runs": 3, "values": [0.9015, 0.8876, 0.8708], "mean": 0.8867, "spread": 0.0307}, "at": 1787947269}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936681, "scored_at": 1787947269, "alerts": [], "rank": 6302}, {"candidate_id": "ODC-8DBDE1", "res_at": 1786821125, "skeleton": "ZYHOCHNYJBRPEK", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCn1c(=··········)nc21", "total": 2.467, "axes": {"activity": 1.08, "binding": 0.69, "selectivity": 0.0, "admet": 0.28, "novelty": 0.23, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.665, "fraction": 0.036}, "binding": {"pIC50": 4.58, "LE": 0.299, "potency_term": 0.035, "efficiency_cap": 0.995}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.526, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.544, "cyp3a4-substrate-carbonmangels": 0.728, "ld50-zhu": 0.253, "herg": 0.449, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.348, "novelty": 0.652}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 4.664772762372539, "aff_pf": 1.4242037932078044, "aff_hs": 1.7215256690979004, "repeats_pf": {"runs": 3, "values": [1.4253, 1.469, 1.3783], "mean": 1.4242, "spread": 0.0906}, "repeats_hs": {"runs": 3, "values": [1.7218, 1.7174, 1.7254], "mean": 1.7215, "spread": 0.008}, "at": 1786821125}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789862, "scored_at": 1786821125, "alerts": [], "rank": 6303}, {"candidate_id": "ODC-D35185", "res_at": 1786887094, "skeleton": "DOUSPYHNWACVRZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 2.459, "axes": {"activity": 1.4, "binding": 0.16, "selectivity": 0.0, "admet": 0.45, "novelty": 0.21, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.296, "fraction": 0.047}, "binding": {"pIC50": 3.98, "LE": 0.321, "potency_term": 0.008, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.646, "per_endpoint": {"solubility-aqsoldb": 0.677, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.732, "ld50-zhu": 0.29, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 1.67}}, "run": {"gpu": "3", "pAct_q10": 4.296055382711037, "aff_pf": 2.016040881474813, "aff_hs": 2.138796091079712, "repeats_pf": {"runs": 3, "values": [1.9328, 2.0583, 2.057], "mean": 2.016, "spread": 0.1254}, "repeats_hs": {"runs": 3, "values": [2.0873, 2.1665, 2.1626], "mean": 2.1388, "spread": 0.0792}, "at": 1786887094}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875274, "scored_at": 1786887094, "alerts": [], "rank": 6304}, {"candidate_id": "ODC-6E8E28", "res_at": 1786898058, "skeleton": "WHJBSNFKYDXSDN", "hf_user": "choa712", "display_name": "lucy-R5-04", "model_name": "Claude Fable 5", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 2.453, "axes": {"activity": 1.46, "binding": 0.02, "selectivity": 0.0, "admet": 0.49, "novelty": 0.24, "synthesis": 0.24}, "detail": {"activity": {"pAct_q10": 4.312, "fraction": 0.049}, "binding": {"pIC50": 3.24, "LE": 0.341, "potency_term": 0.001, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.665, "per_endpoint": {"solubility-aqsoldb": 0.941, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.513, "novelty": 0.487}, "synthesis": {"sa_score": 1.6}}, "run": {"gpu": "3", "pAct_q10": 4.3123114990525835, "aff_pf": 2.763671318689982, "aff_hs": 2.298121213912964, "repeats_pf": {"runs": 3, "values": [2.683, 2.6358, 2.9722], "mean": 2.7637, "spread": 0.3364}, "repeats_hs": {"runs": 3, "values": [2.4307, 2.2711, 2.1926], "mean": 2.2981, "spread": 0.2381}, "at": 1786898058}, "tier": 1, "relegate_reason": [], "submitted_at": 1786884162, "scored_at": 1786898058, "alerts": [], "rank": 6305}, {"candidate_id": "ODC-F0A9FC", "res_at": 1788323922, "skeleton": "ZIPJHFRHAKUTCT", "hf_user": "Hyeon-Min", "display_name": "Qoka", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(NS(=··········F)cc1", "total": 2.453, "axes": {"activity": 1.08, "binding": 0.65, "selectivity": 0.0, "admet": 0.3, "novelty": 0.24, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.665, "fraction": 0.036}, "binding": {"pIC50": 4.57, "LE": 0.285, "potency_term": 0.034, "efficiency_cap": 0.949}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.446, "cyp3a4-substrate-carbonmangels": 0.714, "ld50-zhu": 0.179, "herg": 0.868, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.338, "novelty": 0.662}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 4.665084198906243, "aff_pf": 1.4293633302052815, "aff_hs": 0.6107554038365682, "repeats_pf": {"runs": 3, "values": [1.4088, 1.4629, 1.4163], "mean": 1.4294, "spread": 0.0541}, "repeats_hs": {"runs": 3, "values": [0.5252, 0.6712, 0.6359], "mean": 0.6108, "spread": 0.1459}, "at": 1788323922}, "tier": 1, "alerts": [], "total_sd": 0.024, "total_ci95": [2.396, 2.49], "relegate_reason": [], "submitted_at": 1788323538, "scored_at": 1788323922, "rank": 6306}, {"candidate_id": "ODC-C6EFFD", "res_at": 1787158499, "skeleton": "JGUZVIZPIZVHFF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R3", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 2.434, "axes": {"activity": 0.38, "binding": 0.96, "selectivity": 0.0, "admet": 0.58, "novelty": 0.34, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 3.772, "fraction": 0.013}, "binding": {"pIC50": 4.71, "LE": 0.379, "potency_term": 0.048, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.245, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.812, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.299, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 3.772393944300382, "aff_pf": 1.2934608062108357, "aff_hs": 1.7839914162953694, "repeats_pf": {"runs": 3, "values": [1.2847, 1.232, 1.3637], "mean": 1.2935, "spread": 0.1317}, "repeats_hs": {"runs": 3, "values": [1.4901, 1.9303, 1.9316], "mean": 1.784, "spread": 0.4415}, "at": 1787158499}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148799, "scored_at": 1787158499, "alerts": [], "rank": 6307}, {"candidate_id": "ODC-C1A19C", "res_at": 1786880429, "skeleton": "QWKLSGFIKAXFMN", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 2.418, "axes": {"activity": 1.38, "binding": 0.07, "selectivity": 0.0, "admet": 0.47, "novelty": 0.27, "synthesis": 0.23}, "detail": {"activity": {"pAct_q10": 4.29, "fraction": 0.046}, "binding": {"pIC50": 3.65, "LE": 0.333, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.94, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.28, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.421, "novelty": 0.579}, "synthesis": {"sa_score": 1.97}}, "run": {"gpu": "2", "pAct_q10": 4.289523924399604, "aff_pf": 2.35381809870402, "aff_hs": 1.9536710977554321, "repeats_pf": {"runs": 3, "values": [2.422, 2.3358, 2.3037], "mean": 2.3538, "spread": 0.1183}, "repeats_hs": {"runs": 3, "values": [1.8771, 2.0012, 1.9828], "mean": 1.9537, "spread": 0.1241}, "at": 1786880429}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875262, "scored_at": 1786880429, "alerts": [], "rank": 6308}, {"candidate_id": "ODC-D960B7", "res_at": 1786882288, "skeleton": "YBJNRDGMJDAVFJ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········(C)n1", "total": 2.418, "axes": {"activity": 1.24, "binding": 0.38, "selectivity": 0.0, "admet": 0.36, "novelty": 0.23, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.247, "fraction": 0.041}, "binding": {"pIC50": 4.34, "LE": 0.33, "potency_term": 0.019, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.0, "selectivity_term": 0.348, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.716, "caco2-wang": 0.975, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.492, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.44, "novelty": 0.56}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "2", "pAct_q10": 4.246527797837931, "aff_pf": 1.6648592948913574, "aff_hs": 2.36020557085673, "repeats_pf": {"runs": 3, "values": [1.6697, 1.638, 1.6869], "mean": 1.6649, "spread": 0.0489}, "repeats_hs": {"runs": 3, "values": [2.1302, 2.5915, 2.359], "mean": 2.3602, "spread": 0.4613}, "at": 1786882288}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875307, "scored_at": 1786882288, "alerts": [], "rank": 6309}, {"candidate_id": "ODC-0C8A82", "res_at": 1786887466, "skeleton": "PSTUKXJBMHKBAR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········c2)c1", "total": 2.417, "axes": {"activity": 1.5, "binding": 0.04, "selectivity": 0.0, "admet": 0.39, "novelty": 0.24, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.323, "fraction": 0.05}, "binding": {"pIC50": 3.43, "LE": 0.276, "potency_term": 0.002, "efficiency_cap": 0.921}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.52, "per_endpoint": {"solubility-aqsoldb": 0.675, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 0.924, "ld50-zhu": 0.061, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 1.51}}, "run": {"gpu": "3", "pAct_q10": 4.323348931848577, "aff_pf": 2.5722105503082275, "aff_hs": 2.3863503138224282, "repeats_pf": {"runs": 3, "values": [2.6152, 2.5814, 2.5201], "mean": 2.5722, "spread": 0.0951}, "repeats_hs": {"runs": 3, "values": [2.4199, 2.4041, 2.335], "mean": 2.3864, "spread": 0.0849}, "at": 1786887466}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875281, "scored_at": 1786887466, "alerts": [], "rank": 6310}, {"candidate_id": "ODC-C54B65", "res_at": 1787909932, "skeleton": "UIVOSLAFPXLJDD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········F)cc1", "total": 2.412, "axes": {"activity": 1.36, "binding": 0.18, "selectivity": 0.0, "admet": 0.45, "novelty": 0.24, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.045}, "binding": {"pIC50": 4.2, "LE": 0.205, "potency_term": 0.013, "efficiency_cap": 0.685}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.666, "per_endpoint": {"solubility-aqsoldb": 0.882, "caco2-wang": 0.58, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.915, "cyp3a4-substrate-carbonmangels": 0.691, "ld50-zhu": 0.807, "herg": 0.276, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 4.681829241081154, "aff_pf": 1.802034616470337, "aff_hs": 1.435118277867635, "repeats_pf": {"runs": 3, "values": [1.7937, 1.7894, 1.823], "mean": 1.802, "spread": 0.0336}, "repeats_hs": {"runs": 3, "values": [1.4506, 1.3578, 1.497], "mean": 1.4351, "spread": 0.1392}, "at": 1787909932}, "tier": 1, "relegate_reason": [], "submitted_at": 1787898687, "scored_at": 1787909932, "alerts": [], "rank": 6311}, {"candidate_id": "ODC-1D5A26", "res_at": 1789510682, "skeleton": "GKOLYLPSJLDWJN", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 2.403, "axes": {"activity": 1.22, "binding": 0.28, "selectivity": 0.0, "admet": 0.44, "novelty": 0.26, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.673, "fraction": 0.041}, "binding": {"pIC50": 4.22, "LE": 0.304, "potency_term": 0.014, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.725, "per_endpoint": {"solubility-aqsoldb": 0.728, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.869, "cyp3a4-substrate-carbonmangels": 0.255, "ld50-zhu": 0.557, "herg": 0.314, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.1}}, "run": {"gpu": "0", "pAct_q10": 4.673120749959142, "aff_pf": 1.7833621501922607, "aff_hs": 1.12608802318573, "repeats_pf": {"runs": 3, "values": [1.8569, 1.6102, 1.883], "mean": 1.7834, "spread": 0.2727}, "repeats_hs": {"runs": 3, "values": [1.0635, 1.0807, 1.234], "mean": 1.1261, "spread": 0.1705}, "at": 1789510682}, "tier": 1, "alerts": [], "total_sd": 0.059, "total_ci95": [2.344, 2.556], "relegate_reason": [], "submitted_at": 1789495237, "scored_at": 1789510682, "rank": 6312}, {"candidate_id": "ODC-466297", "res_at": 1786877480, "skeleton": "JFZHQUMGQJKALU", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccsc1", "total": 2.387, "axes": {"activity": 1.12, "binding": 0.55, "selectivity": 0.0, "admet": 0.36, "novelty": 0.18, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.204, "fraction": 0.037}, "binding": {"pIC50": 4.48, "LE": 0.439, "potency_term": 0.027, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.002, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.818, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.198, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.523, "novelty": 0.477}, "synthesis": {"sa_score": 1.92}}, "run": {"gpu": "2", "pAct_q10": 4.204312635373152, "aff_pf": 1.5166564385096233, "aff_hs": 1.520215670267741, "repeats_pf": {"runs": 3, "values": [1.5003, 1.5183, 1.5314], "mean": 1.5167, "spread": 0.031}, "repeats_hs": {"runs": 3, "values": [1.5121, 1.5676, 1.4809], "mean": 1.5202, "spread": 0.0868}, "at": 1786877480}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871337, "scored_at": 1786877480, "alerts": [], "rank": 6313}, {"candidate_id": "ODC-ACE4B9", "res_at": 1786800017, "skeleton": "YZYRCRPNHREKKK", "hf_user": "sunglee", "display_name": "semantic-os provisional thiazole-cyano", "model_name": "GPT-5.6 Luna", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1csc(··········c2)n1", "total": 2.385, "axes": {"activity": 1.28, "binding": 0.34, "selectivity": 0.0, "admet": 0.3, "novelty": 0.24, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.261, "fraction": 0.043}, "binding": {"pIC50": 4.3, "LE": 0.346, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.518, "caco2-wang": 0.985, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.578, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.187, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.444, "novelty": 0.556}, "synthesis": {"sa_score": 2.06}}, "run": {"gpu": "3", "pAct_q10": 4.2607987375849055, "aff_pf": 1.704023838043213, "aff_hs": 1.3906277418136597, "repeats_pf": {"runs": 3, "values": [1.7621, 1.7366, 1.6134], "mean": 1.704, "spread": 0.1488}, "repeats_hs": {"runs": 3, "values": [1.3547, 1.3508, 1.4664], "mean": 1.3906, "spread": 0.1156}, "at": 1786800017}, "tier": 1, "relegate_reason": [], "submitted_at": 1786785154, "scored_at": 1786800017, "alerts": [], "rank": 6314}, {"candidate_id": "ODC-5917B8", "res_at": 1787026960, "skeleton": "NJXBNLYXVPZXRE", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COC(=O)··········O)N21", "total": 2.383, "axes": {"activity": 1.23, "binding": 0.28, "selectivity": 0.0, "admet": 0.53, "novelty": 0.24, "synthesis": 0.11}, "detail": {"activity": {"pAct_q10": 4.242, "fraction": 0.041}, "binding": {"pIC50": 4.24, "LE": 0.277, "potency_term": 0.015, "efficiency_cap": 0.923}, "selectivity": {"fold": 1.7, "selectivity_term": 0.12, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.858, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.956, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.643, "ld50-zhu": 0.413, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 4.13}}, "run": {"gpu": "3", "pAct_q10": 4.24200391012754, "aff_pf": 1.7572290500005086, "aff_hs": 1.9969387451807659, "repeats_pf": {"runs": 3, "values": [1.7697, 1.7354, 1.7666], "mean": 1.7572, "spread": 0.0344}, "repeats_hs": {"runs": 3, "values": [2.0309, 1.88, 2.0799], "mean": 1.9969, "spread": 0.1999}, "at": 1787026960}, "tier": 1, "relegate_reason": [], "submitted_at": 1787025208, "scored_at": 1787026960, "alerts": [], "rank": 6315}, {"candidate_id": "ODC-1FAC10", "res_at": 1786880986, "skeleton": "AEGPHIYLNKWPIG", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 2.375, "axes": {"activity": 1.05, "binding": 0.63, "selectivity": 0.0, "admet": 0.32, "novelty": 0.21, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.179, "fraction": 0.035}, "binding": {"pIC50": 4.53, "LE": 0.444, "potency_term": 0.031, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.6, "selectivity_term": 0.106, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.607, "per_endpoint": {"solubility-aqsoldb": 0.852, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.124, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "2", "pAct_q10": 4.179211537418952, "aff_pf": 1.4651068846384685, "aff_hs": 1.6771348317464192, "repeats_pf": {"runs": 3, "values": [1.4894, 1.4561, 1.4498], "mean": 1.4651, "spread": 0.0396}, "repeats_hs": {"runs": 3, "values": [1.6494, 1.6531, 1.729], "mean": 1.6771, "spread": 0.0796}, "at": 1786880986}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875278, "scored_at": 1786880986, "alerts": [], "rank": 6316}, {"candidate_id": "ODC-CA3CB2", "res_at": 1787159631, "skeleton": "IPNMUSVNYKFJNR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R6", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cc([··········2)cn1", "total": 2.361, "axes": {"activity": 0.31, "binding": 1.01, "selectivity": 0.0, "admet": 0.52, "novelty": 0.36, "synthesis": 0.16}, "detail": {"activity": {"pAct_q10": 3.693, "fraction": 0.01}, "binding": {"pIC50": 4.73, "LE": 0.381, "potency_term": 0.05, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.132, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.69, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.661, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.094, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 3.693248252538558, "aff_pf": 1.274396538734436, "aff_hs": 1.537899096806844, "repeats_pf": {"runs": 3, "values": [1.0871, 1.1955, 1.5406], "mean": 1.2744, "spread": 0.4535}, "repeats_hs": {"runs": 3, "values": [1.4875, 1.5342, 1.592], "mean": 1.5379, "spread": 0.1044}, "at": 1787159631}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148870, "scored_at": 1787159631, "alerts": [], "rank": 6317}, {"candidate_id": "ODC-6BC1AE", "res_at": 1786947927, "skeleton": "AOQIIFZGSSRCTM", "hf_user": "takutoyo", "display_name": "PfD-08", "model_name": "claude-opus-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1nc(··········cc2n1", "total": 2.351, "axes": {"activity": 0.29, "binding": 1.07, "selectivity": 0.0, "admet": 0.44, "novelty": 0.36, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.617, "fraction": 0.01}, "binding": {"pIC50": 4.8, "LE": 0.263, "potency_term": 0.061, "efficiency_cap": 0.877}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.551, "per_endpoint": {"solubility-aqsoldb": 0.406, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.866, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 1.0, "herg": 0.323, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.324, "novelty": 0.676}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 4.617160551801095, "aff_pf": 1.199358304341634, "aff_hs": 0.4892103374004364, "repeats_pf": {"runs": 3, "values": [1.2614, 1.3615, 0.9752], "mean": 1.1994, "spread": 0.3864}, "repeats_hs": {"runs": 3, "values": [0.4089, 0.5427, 0.5161], "mean": 0.4892, "spread": 0.1338}, "at": 1786947927}, "tier": 1, "relegate_reason": [], "submitted_at": 1786935266, "scored_at": 1786947927, "alerts": [], "rank": 6318}, {"candidate_id": "ODC-43253C", "res_at": 1788077910, "skeleton": "VXNBERBQSNXSSB", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CN(C(=O··········)F)c1", "total": 2.349, "axes": {"activity": 0.37, "binding": 1.04, "selectivity": 0.0, "admet": 0.35, "novelty": 0.34, "synthesis": 0.26}, "detail": {"activity": {"pAct_q10": 4.622, "fraction": 0.012}, "binding": {"pIC50": 4.77, "LE": 0.273, "potency_term": 0.057, "efficiency_cap": 0.909}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.453, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 0.799, "ld50-zhu": 0.657, "herg": 0.26, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.35, "novelty": 0.65}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.62203913910183, "aff_pf": 1.2250103155771892, "aff_hs": 0.9488972822825114, "repeats_pf": {"runs": 3, "values": [1.1375, 1.2515, 1.2861], "mean": 1.225, "spread": 0.1486}, "repeats_hs": {"runs": 3, "values": [0.914, 1.0756, 0.857], "mean": 0.9489, "spread": 0.2186}, "at": 1788077910}, "tier": 1, "alerts": [], "total_sd": 0.207, "total_ci95": [2.047, 2.879], "relegate_reason": [], "submitted_at": 1788028918, "scored_at": 1788077910, "rank": 6319}, {"candidate_id": "ODC-CED628", "res_at": 1786881540, "skeleton": "SZEYWVGAGGNLIK", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nccn1", "total": 2.335, "axes": {"activity": 1.16, "binding": 0.33, "selectivity": 0.0, "admet": 0.4, "novelty": 0.25, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.222, "fraction": 0.039}, "binding": {"pIC50": 4.28, "LE": 0.419, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.691, "per_endpoint": {"solubility-aqsoldb": 0.979, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.284, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.365, "novelty": 0.635}, "synthesis": {"sa_score": 2.59}}, "run": {"gpu": "2", "pAct_q10": 4.221633710917157, "aff_pf": 1.7185681660970051, "aff_hs": 1.5784595012664795, "repeats_pf": {"runs": 3, "values": [1.676, 1.7746, 1.7052], "mean": 1.7186, "spread": 0.0986}, "repeats_hs": {"runs": 3, "values": [1.5584, 1.6129, 1.5641], "mean": 1.5785, "spread": 0.0545}, "at": 1786881540}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875295, "scored_at": 1786881540, "alerts": [], "rank": 6320}, {"candidate_id": "ODC-1A8481", "res_at": 1787044576, "skeleton": "CJCCRHZEISGPAO", "hf_user": "Dharmogata", "display_name": "Dharmogata-PC01", "model_name": "OpenAI/Codex GPT-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC1(C)C··········2)CC1", "total": 2.319, "axes": {"activity": 1.16, "binding": 0.24, "selectivity": 0.0, "admet": 0.49, "novelty": 0.26, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.67, "fraction": 0.039}, "binding": {"pIC50": 4.15, "LE": 0.299, "potency_term": 0.012, "efficiency_cap": 0.997}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.851, "per_endpoint": {"solubility-aqsoldb": 0.874, "caco2-wang": 0.925, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.648, "ld50-zhu": 0.501, "herg": 0.838, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 4.66961595570622, "aff_pf": 1.8513753016789753, "aff_hs": 1.8680567344029744, "repeats_pf": {"runs": 3, "values": [1.8269, 1.8214, 1.9057], "mean": 1.8514, "spread": 0.0843}, "repeats_hs": {"runs": 3, "values": [1.9284, 1.8382, 1.8376], "mean": 1.8681, "spread": 0.0908}, "at": 1787044576}, "tier": 1, "relegate_reason": [], "submitted_at": 1787039277, "scored_at": 1787044576, "alerts": [], "rank": 6321}, {"candidate_id": "ODC-5F10A5", "res_at": 1787360478, "skeleton": "XLYOFNOQVPJJNP", "hf_user": "NILKNARFGonzo", "display_name": "water", "model_name": "", "mw_band": "0-50", "visibility": "public", "smiles": "O", "smiles_masked": null, "total": 2.319, "axes": {"activity": 0.21, "binding": 1.07, "selectivity": 0.0, "admet": 0.53, "novelty": 0.5, "synthesis": 0.01}, "detail": {"activity": {"pAct_q10": 3.53, "fraction": 0.007}, "binding": {"pIC50": 4.75, "LE": 6.507, "potency_term": 0.053, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.662, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 0.904, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.059, "novelty": 0.941}, "synthesis": {"sa_score": 5.87}}, "run": {"gpu": "3", "pAct_q10": 3.5299196692639687, "aff_pf": 1.250544826189677, "aff_hs": 1.2259204387664795, "repeats_pf": {"runs": 3, "values": [1.2476, 1.2399, 1.2641], "mean": 1.2505, "spread": 0.0242}, "repeats_hs": {"runs": 3, "values": [1.3921, 1.085, 1.2006], "mean": 1.2259, "spread": 0.3071}, "at": 1787360478}, "tier": 1, "relegate_reason": [], "submitted_at": 1787357090, "scored_at": 1787360478, "alerts": [], "rank": 6322}, {"candidate_id": "ODC-7DFB95", "res_at": 1786883024, "skeleton": "JOIZGMHBSKNOIZ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cscn1", "total": 2.297, "axes": {"activity": 1.25, "binding": 0.22, "selectivity": 0.0, "admet": 0.41, "novelty": 0.21, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.248, "fraction": 0.042}, "binding": {"pIC50": 4.11, "LE": 0.403, "potency_term": 0.011, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.663, "per_endpoint": {"solubility-aqsoldb": 0.961, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.773, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.243, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.489, "novelty": 0.511}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "2", "pAct_q10": 4.248445783848506, "aff_pf": 1.8855243921279907, "aff_hs": 1.7754192352294922, "repeats_pf": {"runs": 3, "values": [1.8173, 1.8762, 1.9631], "mean": 1.8855, "spread": 0.1458}, "repeats_hs": {"runs": 3, "values": [1.8295, 1.7698, 1.7269], "mean": 1.7754, "spread": 0.1026}, "at": 1786883024}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875321, "scored_at": 1786883024, "alerts": [], "rank": 6323}, {"candidate_id": "ODC-D2E57A", "res_at": 1788077090, "skeleton": "RHRCVPVLCCXSAA", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "anthropic/claude-fable-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ncn12", "total": 2.266, "axes": {"activity": 1.14, "binding": 0.36, "selectivity": 0.0, "admet": 0.37, "novelty": 0.2, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.214, "fraction": 0.038}, "binding": {"pIC50": 4.32, "LE": 0.296, "potency_term": 0.018, "efficiency_cap": 0.986}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.652, "per_endpoint": {"solubility-aqsoldb": 0.587, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.838, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.338, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 4.213613522206139, "aff_pf": 1.6804471810658772, "aff_hs": 1.5762583017349243, "repeats_pf": {"runs": 3, "values": [1.6345, 1.6135, 1.7933], "mean": 1.6804, "spread": 0.1798}, "repeats_hs": {"runs": 3, "values": [1.5706, 1.5685, 1.5897], "mean": 1.5763, "spread": 0.0212}, "at": 1788077090}, "tier": 1, "alerts": [], "total_sd": 0.046, "total_ci95": [2.17, 2.338], "relegate_reason": [], "submitted_at": 1788028881, "scored_at": 1788077090, "rank": 6324}, {"candidate_id": "ODC-409E24", "res_at": 1787930033, "skeleton": "BVYYFLUMICKEMT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)(F··········ccc12", "total": 2.251, "axes": {"activity": 1.13, "binding": 0.27, "selectivity": 0.0, "admet": 0.39, "novelty": 0.27, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.668, "fraction": 0.038}, "binding": {"pIC50": 4.22, "LE": 0.289, "potency_term": 0.014, "efficiency_cap": 0.963}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.691, "per_endpoint": {"solubility-aqsoldb": 0.493, "caco2-wang": 0.929, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.885, "cyp3a4-substrate-carbonmangels": 0.804, "ld50-zhu": 0.734, "herg": 0.973, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "0", "pAct_q10": 4.668074941141747, "aff_pf": 1.7837131420771282, "aff_hs": 1.5199638605117798, "repeats_pf": {"runs": 3, "values": [1.9926, 1.5509, 1.8076], "mean": 1.7837, "spread": 0.4417}, "repeats_hs": {"runs": 3, "values": [1.545, 1.5855, 1.4293], "mean": 1.52, "spread": 0.1561}, "at": 1787930033}, "tier": 1, "relegate_reason": [], "submitted_at": 1787899326, "scored_at": 1787930033, "alerts": [], "rank": 6325}, {"candidate_id": "ODC-A9C36A", "res_at": 1787948248, "skeleton": "NNVZGPYEOGNLCJ", "hf_user": "dlghkdueo", "display_name": "SOMANG-C1", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(c··········)(F)F", "total": 2.251, "axes": {"activity": 0.87, "binding": 0.75, "selectivity": 0.0, "admet": 0.2, "novelty": 0.24, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.106, "fraction": 0.029}, "binding": {"pIC50": 5.12, "LE": 0.281, "potency_term": 0.04, "efficiency_cap": 0.935}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.04}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.109, "ld50-zhu": 0.539, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.36, "novelty": 0.64}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 4.105796886316159, "aff_pf": 0.879459023475647, "aff_hs": 0.2086031436920166, "repeats_pf": {"runs": 3, "values": [0.9512, 0.8757, 0.8115], "mean": 0.8795, "spread": 0.1396}, "repeats_hs": {"runs": 3, "values": [0.3341, 0.1414, 0.1504], "mean": 0.2086, "spread": 0.1927}, "at": 1787948248}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936845, "scored_at": 1787948248, "alerts": [], "rank": 6326}, {"candidate_id": "ODC-FD979F", "res_at": 1787098672, "skeleton": "SWSCOKWYIWXIPW", "hf_user": "BT287", "display_name": "LBT", "model_name": "claude science(Opus5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=S(=O)··········cn2n1", "total": 2.248, "axes": {"activity": 0.66, "binding": 0.74, "selectivity": 0.12, "admet": 0.3, "novelty": 0.24, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 3.996, "fraction": 0.022}, "binding": {"pIC50": 5.11, "LE": 0.304, "potency_term": 0.037, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.156, "target_engagement": 0.037}, "admet": {"geometric_mean": 0.542, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.442, "cyp3a4-substrate-carbonmangels": 0.782, "ld50-zhu": 0.305, "herg": 0.36, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 3.9962086170223685, "aff_pf": 0.8882811268170675, "aff_hs": 1.1995757420857747, "repeats_pf": {"runs": 3, "values": [0.9362, 0.8651, 0.8636], "mean": 0.8883, "spread": 0.0726}, "repeats_hs": {"runs": 3, "values": [1.1524, 1.281, 1.1653], "mean": 1.1996, "spread": 0.1285}, "at": 1787098672}, "tier": 1, "relegate_reason": [], "submitted_at": 1787097954, "scored_at": 1787098672, "alerts": [], "rank": 6327}, {"candidate_id": "ODC-2C2DC6", "res_at": 1786877842, "skeleton": "AVRWFGNRKDLVDQ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 2.231, "axes": {"activity": 1.31, "binding": 0.05, "selectivity": 0.0, "admet": 0.46, "novelty": 0.19, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.269, "fraction": 0.044}, "binding": {"pIC50": 3.54, "LE": 0.323, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.707, "per_endpoint": {"solubility-aqsoldb": 0.916, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.734, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.423, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.575, "novelty": 0.425}, "synthesis": {"sa_score": 1.71}}, "run": {"gpu": "2", "pAct_q10": 4.269094780471707, "aff_pf": 2.463080962498983, "aff_hs": 1.755790909131368, "repeats_pf": {"runs": 3, "values": [2.45, 2.4605, 2.4788], "mean": 2.4631, "spread": 0.0289}, "repeats_hs": {"runs": 3, "values": [1.6812, 1.8882, 1.698], "mean": 1.7558, "spread": 0.207}, "at": 1786877842}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871351, "scored_at": 1786877842, "alerts": [], "rank": 6328}, {"candidate_id": "ODC-A1D7C1", "res_at": 1787646214, "skeleton": "YVKQMQKZFFNKQM", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C(=O··········C1CC1", "total": 2.226, "axes": {"activity": 0.57, "binding": 0.85, "selectivity": 0.0, "admet": 0.3, "novelty": 0.29, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.634, "fraction": 0.019}, "binding": {"pIC50": 4.72, "LE": 0.259, "potency_term": 0.05, "efficiency_cap": 0.862}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.475, "per_endpoint": {"solubility-aqsoldb": 0.538, "caco2-wang": 0.765, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.627, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.568, "herg": 0.166, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.32, "novelty": 0.68}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.634403377274823, "aff_pf": 1.281155268351237, "aff_hs": 0.3433048228422801, "repeats_pf": {"runs": 3, "values": [1.5023, 1.0009, 1.3403], "mean": 1.2812, "spread": 0.5014}, "repeats_hs": {"runs": 3, "values": [0.345, 0.3615, 0.3234], "mean": 0.3433, "spread": 0.0381}, "at": 1787646214}, "tier": 1, "relegate_reason": [], "submitted_at": 1787641336, "scored_at": 1787646214, "alerts": [], "rank": 6329}, {"candidate_id": "ODC-65AD79", "res_at": 1786878024, "skeleton": "DMSWASRFDFBSRJ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········(C)n1", "total": 2.21, "axes": {"activity": 1.18, "binding": 0.26, "selectivity": 0.0, "admet": 0.34, "novelty": 0.23, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.228, "fraction": 0.039}, "binding": {"pIC50": 4.18, "LE": 0.337, "potency_term": 0.013, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.1, "selectivity_term": 0.244, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.574, "per_endpoint": {"solubility-aqsoldb": 0.878, "caco2-wang": 0.94, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.376, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 1.79}}, "run": {"gpu": "2", "pAct_q10": 4.227616808605834, "aff_pf": 1.8221896886825562, "aff_hs": 2.3098576863606772, "repeats_pf": {"runs": 3, "values": [1.8137, 1.8482, 1.8046], "mean": 1.8222, "spread": 0.0436}, "repeats_hs": {"runs": 3, "values": [2.3473, 2.4253, 2.157], "mean": 2.3099, "spread": 0.2682}, "at": 1786878024}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871356, "scored_at": 1786878024, "alerts": [], "rank": 6330}, {"candidate_id": "ODC-A2004B", "res_at": 1786793562, "skeleton": "FRAPQPMCKQGNFH", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "omo-Claude-plus-local-gate-screen", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cc2c1", "total": 2.204, "axes": {"activity": 1.25, "binding": 0.08, "selectivity": 0.02, "admet": 0.37, "novelty": 0.27, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.675, "fraction": 0.042}, "binding": {"pIC50": 5.01, "LE": 0.343, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.5, "selectivity_term": 0.269, "target_engagement": 0.004}, "admet": {"geometric_mean": 0.582, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.926, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.589, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.417, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.344, "novelty": 0.656}, "synthesis": {"sa_score": 1.9}}, "run": {"gpu": "3", "pAct_q10": 4.675250711844983, "aff_pf": 0.9879690607388815, "aff_hs": 1.5267161130905151, "repeats_pf": {"runs": 3, "values": [1.0071, 0.9472, 1.0095], "mean": 0.988, "spread": 0.0623}, "repeats_hs": {"runs": 3, "values": [1.552, 1.6746, 1.3536], "mean": 1.5267, "spread": 0.321}, "at": 1786793562}, "tier": 1, "relegate_reason": [], "submitted_at": 1786782989, "scored_at": 1786793562, "alerts": [], "rank": 6331}, {"candidate_id": "ODC-E72641", "res_at": 1786882839, "skeleton": "PTPNFPRNNRINKQ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccoc1", "total": 2.204, "axes": {"activity": 1.14, "binding": 0.34, "selectivity": 0.0, "admet": 0.37, "novelty": 0.16, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.212, "fraction": 0.038}, "binding": {"pIC50": 4.29, "LE": 0.42, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.046, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.655, "per_endpoint": {"solubility-aqsoldb": 0.947, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.66, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.243, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.571, "novelty": 0.429}, "synthesis": {"sa_score": 2.01}}, "run": {"gpu": "2", "pAct_q10": 4.212031911810928, "aff_pf": 1.7062184810638428, "aff_hs": 1.798301100730896, "repeats_pf": {"runs": 3, "values": [1.7517, 1.6147, 1.7522], "mean": 1.7062, "spread": 0.1376}, "repeats_hs": {"runs": 3, "values": [1.8179, 1.8757, 1.7012], "mean": 1.7983, "spread": 0.1745}, "at": 1786882839}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875318, "scored_at": 1786882839, "alerts": [], "rank": 6332}, {"candidate_id": "ODC-16D13D", "res_at": 1786888414, "skeleton": "KGRFTZVOEAPQDV", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nccn1", "total": 2.182, "axes": {"activity": 1.24, "binding": 0.04, "selectivity": 0.0, "admet": 0.44, "novelty": 0.26, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.245, "fraction": 0.041}, "binding": {"pIC50": 3.39, "LE": 0.31, "potency_term": 0.002, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.718, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.371, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 4.245045021821179, "aff_pf": 2.6097093423207602, "aff_hs": 2.101108948389689, "repeats_pf": {"runs": 3, "values": [2.5722, 2.6584, 2.5986], "mean": 2.6097, "spread": 0.0863}, "repeats_hs": {"runs": 3, "values": [2.0926, 2.1345, 2.0762], "mean": 2.1011, "spread": 0.0583}, "at": 1786888414}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875292, "scored_at": 1786888414, "alerts": [], "rank": 6333}, {"candidate_id": "ODC-1847B0", "res_at": 1787166120, "skeleton": "NCJCVPYBEWCHDH", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········(N)=O", "total": 2.129, "axes": {"activity": 1.17, "binding": 0.16, "selectivity": 0.0, "admet": 0.34, "novelty": 0.26, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.224, "fraction": 0.039}, "binding": {"pIC50": 4.04, "LE": 0.264, "potency_term": 0.009, "efficiency_cap": 0.879}, "selectivity": {"fold": 1.6, "selectivity_term": 0.101, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.589, "per_endpoint": {"solubility-aqsoldb": 0.568, "caco2-wang": 0.459, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.738, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.376, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 4.22381254307517, "aff_pf": 1.959333101908366, "aff_hs": 2.160581429799398, "repeats_pf": {"runs": 3, "values": [1.9094, 1.9275, 2.0412], "mean": 1.9593, "spread": 0.1318}, "repeats_hs": {"runs": 3, "values": [2.1083, 2.1433, 2.2302], "mean": 2.1606, "spread": 0.1219}, "at": 1787166120}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156607, "scored_at": 1787166120, "alerts": [], "rank": 6334}, {"candidate_id": "ODC-A9C5B1", "res_at": 1788503653, "skeleton": "MEJIPUXGXYQOIZ", "hf_user": "dlghkdueo", "display_name": "R6-D3", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)c1F", "total": 2.082, "axes": {"activity": 0.33, "binding": 0.88, "selectivity": 0.0, "admet": 0.35, "novelty": 0.3, "synthesis": 0.22}, "detail": {"activity": {"pAct_q10": 4.62, "fraction": 0.011}, "binding": {"pIC50": 4.67, "LE": 0.305, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.5, "selectivity_term": 0.197, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.325, "caco2-wang": 0.848, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.359, "cyp3a4-substrate-carbonmangels": 0.539, "ld50-zhu": 0.322, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.311, "novelty": 0.689}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "0", "pAct_q10": 4.619659377036533, "aff_pf": 1.3283240397771199, "aff_hs": 1.7218997478485107, "repeats_pf": {"runs": 3, "values": [1.4985, 1.237, 1.2495], "mean": 1.3283, "spread": 0.2615}, "repeats_hs": {"runs": 3, "values": [1.7964, 1.6897, 1.6796], "mean": 1.7219, "spread": 0.1168}, "at": 1788503653}, "tier": 1, "alerts": [], "total_sd": 0.324, "total_ci95": [1.45, 2.532], "relegate_reason": [], "submitted_at": 1788448004, "scored_at": 1788503653, "rank": 6335}, {"candidate_id": "ODC-EDFB48", "res_at": 1786969396, "skeleton": "DWMMBCUUKKTNRM", "hf_user": "lasbagas", "display_name": "tonado616", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCOCNC(··········)CCC1", "total": 2.075, "axes": {"activity": 0.78, "binding": 0.63, "selectivity": 0.0, "admet": 0.3, "novelty": 0.22, "synthesis": 0.14}, "detail": {"activity": {"pAct_q10": 4.647, "fraction": 0.026}, "binding": {"pIC50": 4.58, "LE": 0.273, "potency_term": 0.035, "efficiency_cap": 0.909}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.746, "caco2-wang": 0.948, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.226, "ld50-zhu": 0.48, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "3", "pAct_q10": 4.646902197664787, "aff_pf": 1.4236971139907837, "aff_hs": 1.1424438953399658, "repeats_pf": {"runs": 3, "values": [1.3925, 1.2999, 1.5788], "mean": 1.4237, "spread": 0.2789}, "repeats_hs": {"runs": 3, "values": [1.1145, 1.1375, 1.1753], "mean": 1.1424, "spread": 0.0607}, "at": 1786969396}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968654, "scored_at": 1786969396, "alerts": [], "rank": 6336}, {"candidate_id": "ODC-305B2D", "res_at": 1789502536, "skeleton": "JKSBJSFKVYMMKL", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 2.074, "axes": {"activity": 0.03, "binding": 1.01, "selectivity": 0.0, "admet": 0.47, "novelty": 0.31, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.602, "fraction": 0.001}, "binding": {"pIC50": 4.73, "LE": 0.308, "potency_term": 0.051, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.236, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.612, "per_endpoint": {"solubility-aqsoldb": 0.545, "caco2-wang": 0.972, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.545, "cyp3a4-substrate-carbonmangels": 0.345, "ld50-zhu": 0.49, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 1.82}}, "run": {"gpu": "0", "pAct_q10": 4.6017412967379245, "aff_pf": 1.2714811166127522, "aff_hs": 1.7436163425445557, "repeats_pf": {"runs": 3, "values": [1.1953, 1.272, 1.3471], "mean": 1.2715, "spread": 0.1518}, "repeats_hs": {"runs": 3, "values": [1.7382, 1.8359, 1.6567], "mean": 1.7436, "spread": 0.1792}, "at": 1789502536}, "tier": 1, "alerts": [], "total_sd": 0.189, "total_ci95": [1.722, 2.503], "relegate_reason": [], "submitted_at": 1789491532, "scored_at": 1789502536, "rank": 6337}, {"candidate_id": "ODC-CA9A75", "res_at": 1789505554, "skeleton": "CWBYBXNRDLWUIY", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 2.064, "axes": {"activity": 0.76, "binding": 0.69, "selectivity": 0.0, "admet": 0.24, "novelty": 0.21, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.645, "fraction": 0.025}, "binding": {"pIC50": 4.59, "LE": 0.286, "potency_term": 0.036, "efficiency_cap": 0.953}, "selectivity": {"fold": 1.6, "selectivity_term": 0.099, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.887, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.114, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.236, "ld50-zhu": 0.48, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 1.87}}, "run": {"gpu": "0", "pAct_q10": 4.64530961214496, "aff_pf": 1.4087335268656414, "aff_hs": 1.607403039932251, "repeats_pf": {"runs": 3, "values": [1.5219, 1.2087, 1.4957], "mean": 1.4087, "spread": 0.3132}, "repeats_hs": {"runs": 3, "values": [1.6217, 1.4965, 1.704], "mean": 1.6074, "spread": 0.2076}, "at": 1789505554}, "tier": 1, "alerts": [], "total_sd": 0.319, "total_ci95": [1.74, 3.007], "relegate_reason": [], "submitted_at": 1789495194, "scored_at": 1789505554, "rank": 6338}, {"candidate_id": "ODC-28457C", "res_at": 1786887278, "skeleton": "YQBFNKUDBBOBGF", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 2.047, "axes": {"activity": 1.18, "binding": 0.06, "selectivity": 0.0, "admet": 0.39, "novelty": 0.22, "synthesis": 0.2}, "detail": {"activity": {"pAct_q10": 4.226, "fraction": 0.039}, "binding": {"pIC50": 3.62, "LE": 0.331, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.656, "per_endpoint": {"solubility-aqsoldb": 0.939, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.201, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.435, "novelty": 0.565}, "synthesis": {"sa_score": 1.95}}, "run": {"gpu": "3", "pAct_q10": 4.226095661066515, "aff_pf": 2.377030372619629, "aff_hs": 1.985259771347046, "repeats_pf": {"runs": 3, "values": [2.5334, 2.2746, 2.3231], "mean": 2.377, "spread": 0.2588}, "repeats_hs": {"runs": 3, "values": [1.918, 2.0176, 2.0202], "mean": 1.9853, "spread": 0.1022}, "at": 1786887278}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875276, "scored_at": 1786887278, "alerts": [], "rank": 6339}, {"candidate_id": "ODC-896C62", "res_at": 1786887844, "skeleton": "RYROROLFVAABQP", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nccn1", "total": 2.026, "axes": {"activity": 1.16, "binding": 0.05, "selectivity": 0.0, "admet": 0.42, "novelty": 0.21, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.221, "fraction": 0.039}, "binding": {"pIC50": 3.5, "LE": 0.319, "potency_term": 0.002, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.719, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.377, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.467, "novelty": 0.533}, "synthesis": {"sa_score": 1.95}}, "run": {"gpu": "3", "pAct_q10": 4.220542141692276, "aff_pf": 2.504699468612671, "aff_hs": 1.856184760729472, "repeats_pf": {"runs": 3, "values": [2.4871, 2.5066, 2.5203], "mean": 2.5047, "spread": 0.0332}, "repeats_hs": {"runs": 3, "values": [1.9845, 1.8012, 1.7828], "mean": 1.8562, "spread": 0.2017}, "at": 1786887844}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875283, "scored_at": 1786887844, "alerts": [], "rank": 6340}, {"candidate_id": "ODC-F2C7E0", "res_at": 1786882473, "skeleton": "HQAHMKDYBLRSLS", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nH]c1", "total": 2.007, "axes": {"activity": 1.02, "binding": 0.35, "selectivity": 0.0, "admet": 0.32, "novelty": 0.15, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.169, "fraction": 0.034}, "binding": {"pIC50": 4.3, "LE": 0.421, "potency_term": 0.017, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.019, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.628, "per_endpoint": {"solubility-aqsoldb": 0.996, "caco2-wang": 0.73, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.188, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.571, "novelty": 0.429}, "synthesis": {"sa_score": 2.17}}, "run": {"gpu": "2", "pAct_q10": 4.168818291646755, "aff_pf": 1.6977436145146687, "aff_hs": 1.7350532213846843, "repeats_pf": {"runs": 3, "values": [1.6948, 1.6947, 1.7037], "mean": 1.6977, "spread": 0.009}, "repeats_hs": {"runs": 3, "values": [1.8611, 1.7511, 1.593], "mean": 1.7351, "spread": 0.2681}, "at": 1786882473}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875311, "scored_at": 1786882473, "alerts": [], "rank": 6341}, {"candidate_id": "ODC-7DBF66", "res_at": 1787138839, "skeleton": "NXLLLQNMJCBZJJ", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1-R1", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "c1cncc(··········C2)c1", "total": 2.0, "axes": {"activity": 1.1, "binding": 0.02, "selectivity": 0.0, "admet": 0.46, "novelty": 0.23, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.2, "fraction": 0.037}, "binding": {"pIC50": 3.22, "LE": 0.275, "potency_term": 0.001, "efficiency_cap": 0.918}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.837, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.854, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.342, "herg": 0.818, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.383, "novelty": 0.617}, "synthesis": {"sa_score": 2.31}}, "run": {"gpu": "3", "pAct_q10": 4.200487331244243, "aff_pf": 2.7849669456481934, "aff_hs": 1.9571801821390789, "repeats_pf": {"runs": 3, "values": [2.8539, 2.7138, 2.7872], "mean": 2.785, "spread": 0.1401}, "repeats_hs": {"runs": 3, "values": [1.9572, 1.9572, 1.9571], "mean": 1.9572, "spread": 0.0002}, "at": 1787138839}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138408, "scored_at": 1787138839, "alerts": [], "rank": 6342}, {"candidate_id": "ODC-68D8D3", "res_at": 1787291517, "skeleton": "XPOVCXSHMPMNHZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nnc(··········C2)o1", "total": 1.892, "axes": {"activity": 0.4, "binding": 0.72, "selectivity": 0.0, "admet": 0.33, "novelty": 0.27, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.624, "fraction": 0.013}, "binding": {"pIC50": 4.59, "LE": 0.314, "potency_term": 0.036, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.061, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.618, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.781, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.634, "cyp3a4-substrate-carbonmangels": 0.25, "ld50-zhu": 0.562, "herg": 0.17, "dili": 0.72}}, "novelty": {"max_tanimoto": 0.246, "novelty": 0.754}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "3", "pAct_q10": 4.6240281546823425, "aff_pf": 1.4089287122090657, "aff_hs": 1.5315304199854534, "repeats_pf": {"runs": 3, "values": [1.425, 1.3988, 1.4029], "mean": 1.4089, "spread": 0.0262}, "repeats_hs": {"runs": 3, "values": [1.3556, 1.6296, 1.6093], "mean": 1.5315, "spread": 0.274}, "at": 1787291517}, "tier": 1, "relegate_reason": [], "submitted_at": 1787290763, "scored_at": 1787291517, "alerts": [], "rank": 6343}, {"candidate_id": "ODC-E33174", "res_at": 1786880309, "skeleton": "IACZVYNOJPTPAM", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ncc··········cncc1", "total": 1.875, "axes": {"activity": 1.09, "binding": 0.05, "selectivity": 0.0, "admet": 0.35, "novelty": 0.21, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.195, "fraction": 0.036}, "binding": {"pIC50": 3.55, "LE": 0.286, "potency_term": 0.003, "efficiency_cap": 0.954}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.634, "per_endpoint": {"solubility-aqsoldb": 0.757, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.371, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 1.85}}, "run": {"gpu": "3", "pAct_q10": 4.194680340546948, "aff_pf": 2.447715441385905, "aff_hs": 2.117201646169027, "repeats_pf": {"runs": 3, "values": [2.4091, 2.5108, 2.4232], "mean": 2.4477, "spread": 0.1017}, "repeats_hs": {"runs": 3, "values": [2.1267, 2.2251, 1.9997], "mean": 2.1172, "spread": 0.2254}, "at": 1786880309}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871348, "scored_at": 1786880309, "alerts": [], "rank": 6344}, {"candidate_id": "ODC-5E62AD", "res_at": 1786886717, "skeleton": "QZNPXKRALPFXPR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 1.864, "axes": {"activity": 1.09, "binding": 0.05, "selectivity": 0.0, "admet": 0.37, "novelty": 0.17, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.196, "fraction": 0.036}, "binding": {"pIC50": 3.5, "LE": 0.319, "potency_term": 0.002, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.886, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.299, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.535, "novelty": 0.465}, "synthesis": {"sa_score": 1.69}}, "run": {"gpu": "3", "pAct_q10": 4.195635271322978, "aff_pf": 2.504213333129883, "aff_hs": 1.884665568669637, "repeats_pf": {"runs": 3, "values": [2.4738, 2.5719, 2.4669], "mean": 2.5042, "spread": 0.105}, "repeats_hs": {"runs": 3, "values": [2.0431, 1.5443, 2.0666], "mean": 1.8847, "spread": 0.5223}, "at": 1786886717}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875266, "scored_at": 1786886717, "alerts": [], "rank": 6345}, {"candidate_id": "Ibuprofen", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 1.86, "tier": 1, "axes": {"activity": 1.04, "binding": 0.06, "selectivity": 0.0, "admet": 0.38, "novelty": 0.21, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.174, "fraction": 0.035}, "binding": {"pIC50": 3.57, "LE": 0.326, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.74, "per_endpoint": {"solubility-aqsoldb": 0.677, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.212, "herg": 1.0, "dili": 0.528}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 2.19}}, "note": "소염진통제 — 말라리아와 무관 (음성 대조)", "note_en": "analgesic, nothing to do with malaria (negative control)", "rank": null}, {"candidate_id": "ODC-D28093", "res_at": 1787165933, "skeleton": "TUOYGERSWILRLB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········O)cc1", "total": 1.859, "axes": {"activity": 1.01, "binding": 0.18, "selectivity": 0.0, "admet": 0.29, "novelty": 0.21, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.166, "fraction": 0.034}, "binding": {"pIC50": 4.09, "LE": 0.267, "potency_term": 0.01, "efficiency_cap": 0.889}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.569, "caco2-wang": 0.458, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.709, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.287, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.28}}, "run": {"gpu": "3", "pAct_q10": 4.166344760506025, "aff_pf": 1.9137553373972576, "aff_hs": 1.9534460306167603, "repeats_pf": {"runs": 3, "values": [1.6851, 2.0607, 1.9954], "mean": 1.9138, "spread": 0.3756}, "repeats_hs": {"runs": 3, "values": [2.1057, 1.6648, 2.0899], "mean": 1.9534, "spread": 0.4408}, "at": 1787165933}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156597, "scored_at": 1787165933, "alerts": [], "rank": 6346}, {"candidate_id": "Caffeine", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 1.84, "tier": 1, "axes": {"activity": 1.1, "binding": 0.06, "selectivity": 0.0, "admet": 0.27, "novelty": 0.23, "synthesis": 0.18}, "detail": {"activity": {"pAct_q10": 4.197, "fraction": 0.037}, "binding": {"pIC50": 3.62, "LE": 0.354, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.058, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.496, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.096, "herg": 0.1, "dili": 0.58}}, "novelty": {"max_tanimoto": 0.367, "novelty": 0.633}, "synthesis": {"sa_score": 2.3}}, "note": "각성제 — 말라리아와 무관 (음성 대조)", "note_en": "stimulant, nothing to do with malaria (negative control)", "rank": null}, {"candidate_id": "ODC-E42F11", "res_at": 1786883207, "skeleton": "LZDXWOJLEDZFMX", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccoc1", "total": 1.839, "axes": {"activity": 1.02, "binding": 0.08, "selectivity": 0.0, "admet": 0.35, "novelty": 0.21, "synthesis": 0.17}, "detail": {"activity": {"pAct_q10": 4.17, "fraction": 0.034}, "binding": {"pIC50": 3.71, "LE": 0.363, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.692, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.281, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.379, "novelty": 0.621}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "2", "pAct_q10": 4.169911072040328, "aff_pf": 2.2919294039408364, "aff_hs": 2.0145441691080728, "repeats_pf": {"runs": 3, "values": [2.2799, 2.3044, 2.2915], "mean": 2.2919, "spread": 0.0246}, "repeats_hs": {"runs": 3, "values": [2.0025, 2.0288, 2.0123], "mean": 2.0145, "spread": 0.0262}, "at": 1786883207}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875323, "scored_at": 1786883207, "alerts": [], "rank": 6347}, {"candidate_id": "ODC-EA07BA", "res_at": 1789907327, "skeleton": "QAKOULOKSOPGRZ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CC(=O)N··········s2)C1", "total": 1.805, "axes": {"activity": 0.46, "binding": 0.68, "selectivity": 0.0, "admet": 0.3, "novelty": 0.21, "synthesis": 0.15}, "detail": {"activity": {"pAct_q10": 4.627, "fraction": 0.015}, "binding": {"pIC50": 4.64, "LE": 0.254, "potency_term": 0.04, "efficiency_cap": 0.847}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.596, "per_endpoint": {"solubility-aqsoldb": 0.601, "caco2-wang": 0.799, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.867, "ld50-zhu": 0.848, "herg": 0.05, "dili": 0.349}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "2", "pAct_q10": 4.627457380694437, "aff_pf": 1.3646208047866821, "aff_hs": 1.248998999595642, "repeats_pf": {"runs": 3, "values": [1.3488, 1.322, 1.423], "mean": 1.3646, "spread": 0.101}, "repeats_hs": {"runs": 3, "values": [1.2676, 1.2289, 1.2504], "mean": 1.249, "spread": 0.0387}, "at": 1789907327}, "tier": 1, "alerts": [], "total_sd": 0.095, "total_ci95": [1.607, 1.97], "relegate_reason": [], "submitted_at": 1789778824, "scored_at": 1789907327, "rank": 6348}, {"candidate_id": "ODC-1B2347", "res_at": 1787158118, "skeleton": "GFSDGTINPBSTBD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R1", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 1.783, "axes": {"activity": 0.68, "binding": 0.5, "selectivity": 0.0, "admet": 0.32, "novelty": 0.18, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 4.008, "fraction": 0.023}, "binding": {"pIC50": 4.45, "LE": 0.338, "potency_term": 0.025, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.848, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.351, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 4.007851361663476, "aff_pf": 1.5542420546213787, "aff_hs": 1.5330001910527546, "repeats_pf": {"runs": 3, "values": [1.4473, 1.6037, 1.6117], "mean": 1.5542, "spread": 0.1644}, "repeats_hs": {"runs": 3, "values": [1.727, 1.1173, 1.7547], "mean": 1.533, "spread": 0.6374}, "at": 1787158118}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148768, "scored_at": 1787158118, "alerts": [], "rank": 6349}, {"candidate_id": "ODC-C66142", "res_at": 1787131144, "skeleton": "OKOAXPHAGGQFDZ", "hf_user": "luckluckman", "display_name": "luckluckman", "model_name": "claude opus5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CC1=O", "total": 1.78, "axes": {"activity": 0.87, "binding": 0.43, "selectivity": 0.0, "admet": 0.23, "novelty": 0.1, "synthesis": 0.14}, "detail": {"activity": {"pAct_q10": 4.652, "fraction": 0.029}, "binding": {"pIC50": 4.45, "LE": 0.254, "potency_term": 0.026, "efficiency_cap": 0.848}, "selectivity": {"fold": 1.2, "selectivity_term": 0.031, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.54, "per_endpoint": {"solubility-aqsoldb": 0.47, "caco2-wang": 0.809, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.437, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.194, "herg": 0.307, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.655, "novelty": 0.345}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "3", "pAct_q10": 4.652044509659558, "aff_pf": 1.545151948928833, "aff_hs": 1.6065645217895508, "repeats_pf": {"runs": 3, "values": [1.6068, 1.5013, 1.5273], "mean": 1.5452, "spread": 0.1055}, "repeats_hs": {"runs": 3, "values": [1.7394, 1.5485, 1.5318], "mean": 1.6066, "spread": 0.2076}, "at": 1787131144}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [], "submitted_at": 1787123052, "scored_at": 1787131144, "rank": 6350}, {"candidate_id": "ODC-F6B17E", "res_at": 1786884856, "skeleton": "RJVPLOLZXTYTOS", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········nH]n1", "total": 1.657, "axes": {"activity": 0.87, "binding": 0.21, "selectivity": 0.0, "admet": 0.29, "novelty": 0.15, "synthesis": 0.14}, "detail": {"activity": {"pAct_q10": 4.104, "fraction": 0.029}, "binding": {"pIC50": 4.09, "LE": 0.4, "potency_term": 0.01, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.674, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.703, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.329, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.486, "novelty": 0.514}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 4.103889388326353, "aff_pf": 1.910781462987264, "aff_hs": 1.6967507600784302, "repeats_pf": {"runs": 3, "values": [2.0968, 1.7819, 1.8536], "mean": 1.9108, "spread": 0.3149}, "repeats_hs": {"runs": 3, "values": [1.5749, 1.8659, 1.6494], "mean": 1.6968, "spread": 0.291}, "at": 1786884856}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875240, "scored_at": 1786884856, "alerts": [], "rank": 6351}, {"candidate_id": "ODC-EF5676", "res_at": 1788802360, "skeleton": "YDDJVTMZMGEEDG", "hf_user": "Bio-JS", "display_name": "0907-S1-29", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "c1cnc2n··········sc2c1", "total": 1.646, "axes": {"activity": 0.45, "binding": 0.6, "selectivity": 0.0, "admet": 0.24, "novelty": 0.21, "synthesis": 0.15}, "detail": {"activity": {"pAct_q10": 4.627, "fraction": 0.015}, "binding": {"pIC50": 4.52, "LE": 0.326, "potency_term": 0.03, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.862, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.378, "herg": 0.804, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 4.62729236644729, "aff_pf": 1.4823711315790813, "aff_hs": 0.7741500536600748, "repeats_pf": {"runs": 3, "values": [1.5376, 1.4632, 1.4464], "mean": 1.4824, "spread": 0.0912}, "repeats_hs": {"runs": 3, "values": [0.7417, 0.7944, 0.7864], "mean": 0.7742, "spread": 0.0527}, "at": 1788802360}, "tier": 1, "alerts": [], "total_sd": 0.06, "total_ci95": [1.559, 1.758], "relegate_reason": [], "submitted_at": 1788707811, "scored_at": 1788802360, "rank": 6352}, {"candidate_id": "ODC-5AABAF", "res_at": 1787359430, "skeleton": "UISWZLWRJYVQFY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-zero", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cc2n1", "total": 1.641, "axes": {"activity": 0.69, "binding": 0.53, "selectivity": 0.0, "admet": 0.22, "novelty": 0.09, "synthesis": 0.12}, "detail": {"activity": {"pAct_q10": 4.009, "fraction": 0.023}, "binding": {"pIC50": 5.09, "LE": 0.279, "potency_term": 0.029, "efficiency_cap": 0.929}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.029}, "admet": {"geometric_mean": 0.541, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.933, "cyp3a4-substrate-carbonmangels": 0.26, "ld50-zhu": 0.486, "herg": 0.66, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.667, "novelty": 0.333}, "synthesis": {"sa_score": 2.91}}, "run": {"gpu": "3", "pAct_q10": 4.0094365629907465, "aff_pf": 0.9139827489852905, "aff_hs": 0.6311957041422526, "repeats_pf": {"runs": 3, "values": [0.9283, 0.942, 0.8716], "mean": 0.914, "spread": 0.0704}, "repeats_hs": {"runs": 3, "values": [0.6379, 0.6158, 0.6399], "mean": 0.6312, "spread": 0.024}, "at": 1787359430}, "tier": 1, "relegate_reason": [], "submitted_at": 1787356740, "scored_at": 1787359430, "alerts": [], "rank": 6353}, {"candidate_id": "ODC-0BB71E", "res_at": 1786880061, "skeleton": "LHWKVMIVEIUXKH", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cncc1", "total": 1.615, "axes": {"activity": 0.95, "binding": 0.12, "selectivity": 0.0, "admet": 0.26, "novelty": 0.13, "synthesis": 0.16}, "detail": {"activity": {"pAct_q10": 4.139, "fraction": 0.032}, "binding": {"pIC50": 3.87, "LE": 0.331, "potency_term": 0.006, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.039, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.544, "per_endpoint": {"solubility-aqsoldb": 0.806, "caco2-wang": 0.863, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.556, "ld50-zhu": 0.096, "herg": 1.0, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.576, "novelty": 0.424}, "synthesis": {"sa_score": 1.57}}, "run": {"gpu": "2", "pAct_q10": 4.138944367712623, "aff_pf": 2.134110450744629, "aff_hs": 2.212291717529297, "repeats_pf": {"runs": 3, "values": [2.1363, 2.1263, 2.1397], "mean": 2.1341, "spread": 0.0134}, "repeats_hs": {"runs": 3, "values": [2.2116, 2.2301, 2.1952], "mean": 2.2123, "spread": 0.0348}, "at": 1786880061}, "tier": 1, "relegate_reason": [], "submitted_at": 1786875252, "scored_at": 1786880061, "alerts": [], "rank": 6354}, {"candidate_id": "ODC-085460", "res_at": 1786880813, "skeleton": "CCRIBTWGGAVKGD", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 1.575, "axes": {"activity": 0.87, "binding": 0.14, "selectivity": 0.0, "admet": 0.27, "novelty": 0.15, "synthesis": 0.15}, "detail": {"activity": {"pAct_q10": 4.106, "fraction": 0.029}, "binding": {"pIC50": 3.93, "LE": 0.317, "potency_term": 0.007, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.615, "per_endpoint": {"solubility-aqsoldb": 0.731, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.646, "ld50-zhu": 0.199, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.478, "novelty": 0.522}, "synthesis": {"sa_score": 1.77}}, "run": {"gpu": "3", "pAct_q10": 4.105714353775005, "aff_pf": 2.069887558619181, "aff_hs": 1.8825942675272624, "repeats_pf": {"runs": 3, "values": [2.0009, 2.076, 2.1328], "mean": 2.0699, "spread": 0.132}, "repeats_hs": {"runs": 3, "values": [1.916, 1.9116, 1.8202], "mean": 1.8826, "spread": 0.0958}, "at": 1786880813}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871358, "scored_at": 1786880813, "alerts": [], "rank": 6355}, {"candidate_id": "ODC-87702D", "res_at": 1787138655, "skeleton": "UOMUBRHYEIMVGD", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········2)cc1", "total": 1.563, "axes": {"activity": 0.79, "binding": 0.15, "selectivity": 0.0, "admet": 0.33, "novelty": 0.16, "synthesis": 0.13}, "detail": {"activity": {"pAct_q10": 4.064, "fraction": 0.026}, "binding": {"pIC50": 3.98, "LE": 0.32, "potency_term": 0.008, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.052, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.851, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.849, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.352, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 1.72}}, "run": {"gpu": "3", "pAct_q10": 4.064454600149484, "aff_pf": 2.02437416712443, "aff_hs": 2.128488222757975, "repeats_pf": {"runs": 3, "values": [1.9767, 2.0472, 2.0492], "mean": 2.0244, "spread": 0.0725}, "repeats_hs": {"runs": 3, "values": [2.0349, 2.2766, 2.0739], "mean": 2.1285, "spread": 0.2417}, "at": 1787138655}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138375, "scored_at": 1787138655, "alerts": [], "rank": 6356}, {"candidate_id": "ODC-D44ECA", "res_at": 1786838341, "skeleton": "VNWKTOKETHGBQD", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "0-50", "visibility": "private", "smiles": null, "smiles_masked": "··········", "total": 1.518, "axes": {"activity": 0.18, "binding": 0.68, "selectivity": 0.0, "admet": 0.33, "novelty": 0.32, "synthesis": 0.0}, "detail": {"activity": {"pAct_q10": 3.482, "fraction": 0.006}, "binding": {"pIC50": 4.57, "LE": 6.261, "potency_term": 0.034, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.72, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.056, "novelty": 0.944}, "synthesis": {"sa_score": 7.33}}, "run": {"gpu": "2", "pAct_q10": 3.4820214428284504, "aff_pf": 1.4297206004460652, "aff_hs": 1.7272324164708455, "repeats_pf": {"runs": 3, "values": [1.5491, 1.6278, 1.1123], "mean": 1.4297, "spread": 0.5156}, "repeats_hs": {"runs": 3, "values": [1.7299, 1.6483, 1.8035], "mean": 1.7272, "spread": 0.1553}, "at": 1786838341}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804731, "scored_at": 1786838341, "alerts": [], "rank": 6357}, {"candidate_id": "ODC-1D5C50", "res_at": 1786877661, "skeleton": "DHRDBIRPRYXPPQ", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab-guided seed generation + RDKit filter", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········(C)n1", "total": 1.485, "axes": {"activity": 0.84, "binding": 0.06, "selectivity": 0.0, "admet": 0.3, "novelty": 0.15, "synthesis": 0.14}, "detail": {"activity": {"pAct_q10": 4.09, "fraction": 0.028}, "binding": {"pIC50": 3.62, "LE": 0.31, "potency_term": 0.003, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.707, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.945, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.353, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.469, "novelty": 0.531}, "synthesis": {"sa_score": 2.04}}, "run": {"gpu": "2", "pAct_q10": 4.089532085189469, "aff_pf": 2.376835028330485, "aff_hs": 2.141908327738444, "repeats_pf": {"runs": 3, "values": [2.3708, 2.3458, 2.4139], "mean": 2.3768, "spread": 0.0681}, "repeats_hs": {"runs": 3, "values": [2.1221, 2.1208, 2.1828], "mean": 2.1419, "spread": 0.0621}, "at": 1786877661}, "tier": 1, "relegate_reason": [], "submitted_at": 1786871346, "scored_at": 1786877661, "alerts": [], "rank": 6358}, {"candidate_id": "ODC-1790FB", "res_at": 1786838338, "skeleton": "OTMSDBZUPAUEDD", "hf_user": "chn-m1n", "display_name": "chnm1n", "model_name": "", "mw_band": "0-50", "visibility": "public", "smiles": "CC", "smiles_masked": null, "total": 1.398, "axes": {"activity": 0.27, "binding": 0.52, "selectivity": 0.0, "admet": 0.26, "novelty": 0.23, "synthesis": 0.12}, "detail": {"activity": {"pAct_q10": 3.643, "fraction": 0.009}, "binding": {"pIC50": 4.46, "LE": 3.054, "potency_term": 0.026, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.029, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.671, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.118, "novelty": 0.882}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "1", "pAct_q10": 3.643406606105345, "aff_pf": 1.54169762134552, "aff_hs": 1.5987056891123455, "repeats_pf": {"runs": 3, "values": [1.3567, 2.2379, 1.0304], "mean": 1.5417, "spread": 1.2075}, "repeats_hs": {"runs": 3, "values": [1.6579, 1.5694, 1.5688], "mean": 1.5987, "spread": 0.0892}, "at": 1786838338}, "tier": 1, "relegate_reason": [], "submitted_at": 1786804770, "scored_at": 1786838338, "alerts": [], "rank": 6359}, {"candidate_id": "ODC-3E4A77", "res_at": 1789916737, "skeleton": "MJRMSOGQFIQIAV", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nnc··········)(F)F", "total": 1.385, "axes": {"activity": 0.76, "binding": 0.08, "selectivity": 0.0, "admet": 0.25, "novelty": 0.17, "synthesis": 0.13}, "detail": {"activity": {"pAct_q10": 4.645, "fraction": 0.025}, "binding": {"pIC50": 3.79, "LE": 0.259, "potency_term": 0.005, "efficiency_cap": 0.865}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.658, "per_endpoint": {"solubility-aqsoldb": 0.552, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.854, "cyp3a4-substrate-carbonmangels": 0.609, "ld50-zhu": 0.591, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.333, "novelty": 0.667}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 4.645448764463903, "aff_pf": 2.2133771578470864, "aff_hs": 1.4026994705200195, "repeats_pf": {"runs": 3, "values": [2.2678, 2.1409, 2.2314], "mean": 2.2134, "spread": 0.1268}, "repeats_hs": {"runs": 3, "values": [1.4063, 1.3602, 1.4416], "mean": 1.4027, "spread": 0.0814}, "at": 1789916737}, "tier": 1, "alerts": [], "total_sd": 0.008, "total_ci95": [1.375, 1.403], "relegate_reason": [], "submitted_at": 1789689700, "scored_at": 1789916737, "rank": 6360}, {"candidate_id": "ODC-8B8758", "res_at": 1786866462, "skeleton": "POMITOIWNIHHDB", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1NCC··········)cc21", "total": 1.34, "axes": {"activity": 0.63, "binding": 0.29, "selectivity": 0.0, "admet": 0.18, "novelty": 0.15, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 4.638, "fraction": 0.021}, "binding": {"pIC50": 4.26, "LE": 0.278, "potency_term": 0.016, "efficiency_cap": 0.927}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.561, "per_endpoint": {"solubility-aqsoldb": 0.484, "caco2-wang": 0.972, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.582, "cyp3a4-substrate-carbonmangels": 0.138, "ld50-zhu": 0.473, "herg": 0.85, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "2", "pAct_q10": 4.637724374704058, "aff_pf": 1.7383784453074138, "aff_hs": 1.0975303053855896, "repeats_pf": {"runs": 3, "values": [1.7092, 1.7173, 1.7886], "mean": 1.7384, "spread": 0.0794}, "repeats_hs": {"runs": 3, "values": [1.1268, 0.9982, 1.1676], "mean": 1.0975, "spread": 0.1694}, "at": 1786866462}, "tier": 1, "relegate_reason": [], "submitted_at": 1786857200, "scored_at": 1786866462, "alerts": [], "rank": 6361}, {"candidate_id": "ODC-4767E8", "res_at": 1787501459, "skeleton": "JVGHICXIZANMOF", "hf_user": "jazznilky", "display_name": "f", "model_name": "", "mw_band": "500-550", "visibility": "public", "smiles": "NC(N)=O.NC(N)=O.NC(N)=O.NC(N)=O.[Cl-].[Cl-].[Cl-].[K+].[K+].[NH4+].[Na+].[Na+].[Na+].[Na+]", "smiles_masked": null, "total": 1.337, "axes": {"activity": 0.86, "binding": 0.0, "selectivity": 0.0, "admet": 0.15, "novelty": 0.23, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 4.101, "fraction": 0.029}, "binding": {"reason": "도킹 없음"}, "selectivity": {"reason": "쌍 측정 없음"}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.05, "hia-hou": 0.05, "bioavailability-ma": 0.878, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.157, "herg": 1.0, "dili": 0.835}}, "novelty": {"max_tanimoto": 0.2, "novelty": 0.8}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 4.1008838284308196, "aff_pf": null, "aff_hs": null, "repeats_pf": {"runs": 0}, "repeats_hs": {"runs": 0}, "at": 1787501459}, "tier": 1, "relegate_reason": [], "submitted_at": 1787494991, "scored_at": 1787501459, "rank": 6362}, {"candidate_id": "ODC-CAE4FE", "res_at": 1787165744, "skeleton": "NANJFKGLJFZKBK", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········O)cc1", "total": 1.331, "axes": {"activity": 0.76, "binding": 0.03, "selectivity": 0.0, "admet": 0.24, "novelty": 0.17, "synthesis": 0.13}, "detail": {"activity": {"pAct_q10": 4.053, "fraction": 0.025}, "binding": {"pIC50": 3.4, "LE": 0.222, "potency_term": 0.002, "efficiency_cap": 0.738}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.631, "per_endpoint": {"solubility-aqsoldb": 0.537, "caco2-wang": 0.677, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.812, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.433, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "3", "pAct_q10": 4.05250006965657, "aff_pf": 2.604397694269816, "aff_hs": 2.1532650788625083, "repeats_pf": {"runs": 3, "values": [2.765, 2.5373, 2.5109], "mean": 2.6044, "spread": 0.2541}, "repeats_hs": {"runs": 3, "values": [2.0121, 2.43, 2.0178], "mean": 2.1533, "spread": 0.4179}, "at": 1787165744}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156582, "scored_at": 1787165744, "alerts": [], "rank": 6363}, {"candidate_id": "ODC-7BCA7D", "res_at": 1787157932, "skeleton": "OOYFYCUAIPLXKB", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 1.296, "axes": {"activity": 0.27, "binding": 0.48, "selectivity": 0.0, "admet": 0.27, "novelty": 0.17, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 3.643, "fraction": 0.009}, "binding": {"pIC50": 4.43, "LE": 0.357, "potency_term": 0.024, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.051, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.758, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.153, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 3.6434829810242633, "aff_pf": 1.5707485675811768, "aff_hs": 1.671874205271403, "repeats_pf": {"runs": 3, "values": [1.6679, 1.5234, 1.521], "mean": 1.5707, "spread": 0.1469}, "repeats_hs": {"runs": 3, "values": [1.5382, 2.0602, 1.4172], "mean": 1.6719, "spread": 0.643}, "at": 1787157932}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148711, "scored_at": 1787157932, "alerts": [], "rank": 6364}, {"candidate_id": "ODC-A7A0E3", "res_at": 1787945538, "skeleton": "ACIYRLKHFYDUHK", "hf_user": "dlghkdueo", "display_name": "SOMANG-A1", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 1.287, "axes": {"activity": 0.63, "binding": 0.25, "selectivity": 0.0, "admet": 0.18, "novelty": 0.12, "synthesis": 0.11}, "detail": {"activity": {"pAct_q10": 3.979, "fraction": 0.021}, "binding": {"pIC50": 4.24, "LE": 0.252, "potency_term": 0.015, "efficiency_cap": 0.841}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.567, "per_endpoint": {"solubility-aqsoldb": 0.394, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.401, "ld50-zhu": 0.497, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "0", "pAct_q10": 3.9788255654261695, "aff_pf": 1.7625416119893391, "aff_hs": 1.5651577313741047, "repeats_pf": {"runs": 3, "values": [1.8358, 1.6594, 1.7924], "mean": 1.7625, "spread": 0.1764}, "repeats_hs": {"runs": 3, "values": [1.4916, 1.4913, 1.7126], "mean": 1.5652, "spread": 0.2213}, "at": 1787945538}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936468, "scored_at": 1787945538, "alerts": [], "rank": 6365}, {"candidate_id": "ODC-E4A392", "res_at": 1788084799, "skeleton": "HXNOFHCQOWVTCH", "hf_user": "highpolygonal", "display_name": "Bqu‑1 (biquinar‑like 2‑chloro‑4‑bromo‑N‑(cyclohexylidene)ben", "model_name": "Tiel-Coder", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(O)C··········CCCC1", "total": 1.27, "axes": {"activity": 0.42, "binding": 0.42, "selectivity": 0.0, "admet": 0.18, "novelty": 0.15, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 4.625, "fraction": 0.014}, "binding": {"pIC50": 5.06, "LE": 0.33, "potency_term": 0.021, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.021}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.764, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.601, "ld50-zhu": 0.313, "herg": 1.0, "dili": 0.306}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 4.624992309854035, "aff_pf": 0.9363676706949869, "aff_hs": 0.28638725479443866, "repeats_pf": {"runs": 3, "values": [0.9801, 1.0008, 0.8282], "mean": 0.9364, "spread": 0.1726}, "repeats_hs": {"runs": 3, "values": [0.3077, 0.2516, 0.2999], "mean": 0.2864, "spread": 0.0562}, "at": 1788084799}, "tier": 1, "alerts": ["마이클수용체_말단"], "total_sd": 0.832, "total_ci95": [0.738, 4.433], "relegate_reason": [], "submitted_at": 1788077141, "scored_at": 1788084799, "rank": 6366}, {"candidate_id": "ODC-F986BF", "res_at": 1789504049, "skeleton": "BBJIVWQTAHJHRJ", "hf_user": "MaryDog", "display_name": "Mary", "model_name": "mary 8b", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 1.237, "axes": {"activity": 0.15, "binding": 0.54, "selectivity": 0.0, "admet": 0.24, "novelty": 0.17, "synthesis": 0.14}, "detail": {"activity": {"pAct_q10": 4.609, "fraction": 0.005}, "binding": {"pIC50": 4.5, "LE": 0.28, "potency_term": 0.029, "efficiency_cap": 0.935}, "selectivity": {"fold": 1.2, "selectivity_term": 0.035, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.583, "per_endpoint": {"solubility-aqsoldb": 0.506, "caco2-wang": 0.947, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.737, "cyp3a4-substrate-carbonmangels": 0.284, "ld50-zhu": 0.355, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 1.87}}, "run": {"gpu": "0", "pAct_q10": 4.6092287053689045, "aff_pf": 1.495647668838501, "aff_hs": 1.5657942295074463, "repeats_pf": {"runs": 3, "values": [1.531, 1.4804, 1.4755], "mean": 1.4956, "spread": 0.0555}, "repeats_hs": {"runs": 3, "values": [1.4804, 1.7161, 1.5009], "mean": 1.5658, "spread": 0.2357}, "at": 1789504049}, "tier": 1, "alerts": [], "total_sd": 0.043, "total_ci95": [1.137, 1.298], "relegate_reason": [], "submitted_at": 1789491544, "scored_at": 1789504049, "rank": 6367}, {"candidate_id": "ODC-221754", "res_at": 1787943202, "skeleton": "MYYJDTVDKKFJTI", "hf_user": "dlghkdueo", "display_name": "SOMANG-D1", "model_name": "Claude", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CN(C(=O··········)F)c1", "total": 1.236, "axes": {"activity": 0.56, "binding": 0.33, "selectivity": 0.0, "admet": 0.14, "novelty": 0.11, "synthesis": 0.09}, "detail": {"activity": {"pAct_q10": 3.928, "fraction": 0.019}, "binding": {"pIC50": 4.34, "LE": 0.258, "potency_term": 0.019, "efficiency_cap": 0.862}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.336, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.273, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.508, "herg": 0.625, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.391, "novelty": 0.609}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "3", "pAct_q10": 3.928492983597752, "aff_pf": 1.6607315142949421, "aff_hs": 1.1002385417620342, "repeats_pf": {"runs": 3, "values": [1.6877, 1.6958, 1.5986], "mean": 1.6607, "spread": 0.0972}, "repeats_hs": {"runs": 3, "values": [0.9897, 1.1559, 1.1551], "mean": 1.1002, "spread": 0.1662}, "at": 1787943202}, "tier": 1, "relegate_reason": [], "submitted_at": 1787936941, "scored_at": 1787943202, "alerts": [], "rank": 6368}, {"candidate_id": "ODC-72583E", "res_at": 1787139201, "skeleton": "DDRPZHDBDGTPDZ", "hf_user": "topabaem", "display_name": "topbaem", "model_name": "Iimura-W1-R3", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········C2)c1", "total": 1.227, "axes": {"activity": 0.58, "binding": 0.25, "selectivity": 0.0, "admet": 0.18, "novelty": 0.11, "synthesis": 0.1}, "detail": {"activity": {"pAct_q10": 3.944, "fraction": 0.019}, "binding": {"pIC50": 4.17, "LE": 0.336, "potency_term": 0.013, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.631, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.633, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.422, "novelty": 0.578}, "synthesis": {"sa_score": 1.98}}, "run": {"gpu": "3", "pAct_q10": 3.943804994120695, "aff_pf": 1.8266886075337727, "aff_hs": 1.7642110188802083, "repeats_pf": {"runs": 3, "values": [1.8801, 1.7635, 1.8365], "mean": 1.8267, "spread": 0.1166}, "repeats_hs": {"runs": 3, "values": [1.6986, 1.6911, 1.9029], "mean": 1.7642, "spread": 0.2118}, "at": 1787139201}, "tier": 1, "relegate_reason": [], "submitted_at": 1787138457, "scored_at": 1787139201, "alerts": [], "rank": 6369}, {"candidate_id": "Metformin", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 1.223, "tier": 1, "axes": {"activity": 0.32, "binding": 0.5, "selectivity": 0.0, "admet": 0.17, "novelty": 0.16, "synthesis": 0.08}, "detail": {"activity": {"pAct_q10": 3.7, "fraction": 0.011}, "binding": {"pIC50": 4.44, "LE": 0.677, "potency_term": 0.025, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.45, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.05, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 3.67}}, "note": "당뇨병 치료제 — 말라리아와 무관 (음성 대조)", "note_en": "diabetes drug, nothing to do with malaria (negative control)", "rank": null}, {"candidate_id": "ODC-AAAF97", "res_at": 1787165558, "skeleton": "QVUDIJASHKACBR", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CC(C(=O··········(N)=O", "total": 1.222, "axes": {"activity": 0.68, "binding": 0.05, "selectivity": 0.0, "admet": 0.22, "novelty": 0.16, "synthesis": 0.11}, "detail": {"activity": {"pAct_q10": 4.006, "fraction": 0.023}, "binding": {"pIC50": 3.65, "LE": 0.238, "potency_term": 0.003, "efficiency_cap": 0.794}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.53, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.818, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.497, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.39}}, "run": {"gpu": "3", "pAct_q10": 4.006207683079819, "aff_pf": 2.3472116788228354, "aff_hs": 2.19270396232605, "repeats_pf": {"runs": 3, "values": [2.335, 2.4004, 2.3062], "mean": 2.3472, "spread": 0.0942}, "repeats_hs": {"runs": 3, "values": [1.8847, 2.3367, 2.3568], "mean": 2.1927, "spread": 0.4721}, "at": 1787165558}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156570, "scored_at": 1787165558, "alerts": [], "rank": 6370}, {"candidate_id": "ODC-EAE9BD", "res_at": 1787159444, "skeleton": "MNCAQHWRTYXBEL", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 1.208, "axes": {"activity": 0.34, "binding": 0.39, "selectivity": 0.09, "admet": 0.17, "novelty": 0.14, "synthesis": 0.07}, "detail": {"activity": {"pAct_q10": 3.724, "fraction": 0.011}, "binding": {"pIC50": 5.06, "LE": 0.385, "potency_term": 0.019, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.0, "selectivity_term": 0.24, "target_engagement": 0.019}, "admet": {"geometric_mean": 0.602, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 3.724014593784923, "aff_pf": 0.9419098297754923, "aff_hs": 1.4213512341181438, "repeats_pf": {"runs": 3, "values": [0.9476, 0.8975, 0.9806], "mean": 0.9419, "spread": 0.083}, "repeats_hs": {"runs": 3, "values": [1.3877, 1.406, 1.4703], "mean": 1.4214, "spread": 0.0826}, "at": 1787159444}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148849, "scored_at": 1787159444, "alerts": [], "rank": 6371}, {"candidate_id": "ODC-E8CB8C", "res_at": 1788506552, "skeleton": "NPINOHKDMQLSLL", "hf_user": "dlghkdueo", "display_name": "R6-D2", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)c1F", "total": 1.195, "axes": {"activity": 0.2, "binding": 0.45, "selectivity": 0.12, "admet": 0.17, "novelty": 0.14, "synthesis": 0.11}, "detail": {"activity": {"pAct_q10": 4.612, "fraction": 0.007}, "binding": {"pIC50": 5.07, "LE": 0.331, "potency_term": 0.022, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.6, "selectivity_term": 0.279, "target_engagement": 0.022}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.831, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.357, "ld50-zhu": 0.281, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 4.612060999109421, "aff_pf": 0.932817280292511, "aff_hs": 1.4907677968343098, "repeats_pf": {"runs": 3, "values": [0.8924, 0.9823, 0.9237], "mean": 0.9328, "spread": 0.0899}, "repeats_hs": {"runs": 3, "values": [1.3381, 1.5509, 1.5833], "mean": 1.4908, "spread": 0.2452}, "at": 1788506552}, "tier": 1, "alerts": [], "total_sd": 0.303, "total_ci95": [0.48, 1.803], "relegate_reason": [], "submitted_at": 1788447973, "scored_at": 1788506552, "rank": 6372}, {"candidate_id": "ODC-00320B", "res_at": 1788864737, "skeleton": "OKFFYPAVECDQJZ", "hf_user": "Bio-JS", "display_name": "ODC0908pm-S1-07", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc2n··········)n2n1", "total": 1.141, "axes": {"activity": 0.57, "binding": 0.25, "selectivity": 0.0, "admet": 0.14, "novelty": 0.09, "synthesis": 0.09}, "detail": {"activity": {"pAct_q10": 4.634, "fraction": 0.019}, "binding": {"pIC50": 5.04, "LE": 0.314, "potency_term": 0.013, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.013}, "admet": {"geometric_mean": 0.504, "per_endpoint": {"solubility-aqsoldb": 0.357, "caco2-wang": 0.805, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.411, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.82}}, "run": {"gpu": "0", "pAct_q10": 4.633957265116529, "aff_pf": 0.962182859579722, "aff_hs": 0.874174952507019, "repeats_pf": {"runs": 3, "values": [1.0091, 0.9358, 0.9416], "mean": 0.9622, "spread": 0.0732}, "repeats_hs": {"runs": 3, "values": [0.7448, 0.9718, 0.9059], "mean": 0.8742, "spread": 0.227}, "at": 1788864737}, "tier": 1, "alerts": [], "total_sd": 0.569, "total_ci95": [0.978, 4.193], "relegate_reason": [], "submitted_at": 1788856824, "scored_at": 1788864737, "rank": 6373}, {"candidate_id": "ODC-1B0AB0", "res_at": 1786882598, "skeleton": "FRQGTVPWJBSNTB", "hf_user": "Beliar", "display_name": "Beliar", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cn1nc2c··········)(F)F", "total": 1.045, "axes": {"activity": 0.24, "binding": 0.37, "selectivity": 0.09, "admet": 0.17, "novelty": 0.1, "synthesis": 0.06}, "detail": {"activity": {"pAct_q10": 4.615, "fraction": 0.008}, "binding": {"pIC50": 5.06, "LE": 0.277, "potency_term": 0.02, "efficiency_cap": 0.924}, "selectivity": {"fold": 2.9, "selectivity_term": 0.235, "target_engagement": 0.02}, "admet": {"geometric_mean": 0.623, "per_endpoint": {"solubility-aqsoldb": 0.724, "caco2-wang": 0.786, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.91, "cyp2c9-veith": 0.761, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.726, "herg": 0.395, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.471, "novelty": 0.529}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "3", "pAct_q10": 4.614621284010636, "aff_pf": 0.9395021994908651, "aff_hs": 1.4086023966471355, "repeats_pf": {"runs": 3, "values": [0.9753, 0.9699, 0.8733], "mean": 0.9395, "spread": 0.1019}, "repeats_hs": {"runs": 3, "values": [1.5678, 1.3103, 1.3477], "mean": 1.4086, "spread": 0.2575}, "at": 1786882598}, "tier": 1, "relegate_reason": [], "submitted_at": 1786873952, "scored_at": 1786882598, "alerts": [], "rank": 6374}, {"candidate_id": "ODC-7B0075", "res_at": 1787158880, "skeleton": "OVVPNPSGQCFARY", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R3", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 1.04, "axes": {"activity": 0.45, "binding": 0.24, "selectivity": 0.0, "admet": 0.19, "novelty": 0.1, "synthesis": 0.06}, "detail": {"activity": {"pAct_q10": 3.842, "fraction": 0.015}, "binding": {"pIC50": 4.15, "LE": 0.316, "potency_term": 0.012, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.006, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.827, "per_endpoint": {"solubility-aqsoldb": 0.994, "caco2-wang": 0.829, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.292, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 3.8422008373752075, "aff_pf": 1.8509680430094402, "aff_hs": 1.863856355349223, "repeats_pf": {"runs": 3, "values": [1.6172, 2.0151, 1.9206], "mean": 1.851, "spread": 0.3979}, "repeats_hs": {"runs": 3, "values": [1.8263, 1.6006, 2.1646], "mean": 1.8639, "spread": 0.564}, "at": 1787158880}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148813, "scored_at": 1787158880, "alerts": [], "rank": 6375}, {"candidate_id": "ODC-0CC1EB", "res_at": 1787573699, "skeleton": "CTZZCGMWSIKOQW", "hf_user": "Moonweave", "display_name": "M5AI-SH-S3", "model_name": "OpenAI Codex — scaffold-hop diagnostic", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)cc1", "total": 0.987, "axes": {"activity": 0.47, "binding": 0.19, "selectivity": 0.0, "admet": 0.16, "novelty": 0.09, "synthesis": 0.08}, "detail": {"activity": {"pAct_q10": 4.628, "fraction": 0.016}, "binding": {"pIC50": 4.06, "LE": 0.327, "potency_term": 0.01, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.67, "per_endpoint": {"solubility-aqsoldb": 0.731, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.508, "ld50-zhu": 0.427, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.46, "novelty": 0.54}, "synthesis": {"sa_score": 1.86}}, "run": {"gpu": "3", "pAct_q10": 4.628413346083804, "aff_pf": 1.9409873882929485, "aff_hs": 1.266372283299764, "repeats_pf": {"runs": 3, "values": [1.8771, 1.8825, 2.0634], "mean": 1.941, "spread": 0.1864}, "repeats_hs": {"runs": 3, "values": [1.3014, 1.1602, 1.3375], "mean": 1.2664, "spread": 0.1773}, "at": 1787573699}, "tier": 1, "relegate_reason": [], "submitted_at": 1787573152, "scored_at": 1787573699, "alerts": [], "rank": 6376}, {"candidate_id": "ODC-53A605", "res_at": 1788504574, "skeleton": "OEAAATPDCNYGME", "hf_user": "dlghkdueo", "display_name": "R6-C1", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········[nH]1", "total": 0.938, "axes": {"activity": 0.44, "binding": 0.2, "selectivity": 0.01, "admet": 0.12, "novelty": 0.09, "synthesis": 0.07}, "detail": {"activity": {"pAct_q10": 4.626, "fraction": 0.015}, "binding": {"pIC50": 5.03, "LE": 0.345, "potency_term": 0.01, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.057, "target_engagement": 0.01}, "admet": {"geometric_mean": 0.565, "per_endpoint": {"solubility-aqsoldb": 0.393, "caco2-wang": 0.952, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.499, "cyp3a4-substrate-carbonmangels": 0.455, "ld50-zhu": 0.345, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.16}}, "run": {"gpu": "0", "pAct_q10": 4.626407705697705, "aff_pf": 0.9704168240229288, "aff_hs": 1.0842253764470418, "repeats_pf": {"runs": 3, "values": [0.9336, 1.1332, 0.8445], "mean": 0.9704, "spread": 0.2887}, "repeats_hs": {"runs": 3, "values": [1.0428, 1.132, 1.0778], "mean": 1.0842, "spread": 0.0892}, "at": 1788504574}, "tier": 1, "alerts": [], "total_sd": 1.314, "total_ci95": [0.935, 4.411], "relegate_reason": [], "submitted_at": 1788447784, "scored_at": 1788504574, "rank": 6377}, {"candidate_id": "Aspirin", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 0.807, "tier": 1, "axes": {"activity": 0.45, "binding": 0.02, "selectivity": 0.0, "admet": 0.17, "novelty": 0.09, "synthesis": 0.08}, "detail": {"activity": {"pAct_q10": 3.843, "fraction": 0.015}, "binding": {"pIC50": 3.19, "LE": 0.336, "potency_term": 0.001, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.751, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.997, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.117, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.417, "novelty": 0.583}, "synthesis": {"sa_score": 1.58}}, "note": "해열진통제 — 말라리아와 무관 (음성 대조)", "note_en": "analgesic, nothing to do with malaria (negative control)", "rank": null}, {"candidate_id": "ODC-C8411E", "res_at": 1788536117, "skeleton": "MTZQAGJQAFMTAQ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "150-200", "visibility": "private", "smiles": null, "smiles_masked": "··········", "total": 0.77, "axes": {"activity": 0.46, "binding": 0.03, "selectivity": 0.0, "admet": 0.15, "novelty": 0.05, "synthesis": 0.08}, "detail": {"activity": {"pAct_q10": 3.849, "fraction": 0.015}, "binding": {"pIC50": 3.36, "LE": 0.418, "potency_term": 0.002, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.663, "per_endpoint": {"solubility-aqsoldb": 0.917, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.677, "novelty": 0.323}, "synthesis": {"sa_score": 1.14}}, "run": {"gpu": "0", "pAct_q10": 3.8489251230269304, "aff_pf": 2.6421025594075522, "aff_hs": 2.617732206980387, "repeats_pf": {"runs": 3, "values": [2.6824, 2.6376, 2.6064], "mean": 2.6421, "spread": 0.076}, "repeats_hs": {"runs": 3, "values": [2.6116, 2.6412, 2.6004], "mean": 2.6177, "spread": 0.0408}, "at": 1788536117}, "tier": 1, "alerts": [], "total_sd": 0.002, "total_ci95": [0.767, 0.773], "relegate_reason": [], "submitted_at": 1788489949, "scored_at": 1788536117, "rank": 6378}, {"candidate_id": "ODC-DCCDD0", "res_at": 1786812768, "skeleton": "GFNBPQFGJWVUCE", "hf_user": "coticoger", "display_name": "coticoger", "model_name": "OpenAI/GPT", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········COCC1", "total": 0.749, "axes": {"activity": 0.36, "binding": 0.15, "selectivity": 0.0, "admet": 0.1, "novelty": 0.07, "synthesis": 0.06}, "detail": {"activity": {"pAct_q10": 4.622, "fraction": 0.012}, "binding": {"pIC50": 4.09, "LE": 0.224, "potency_term": 0.01, "efficiency_cap": 0.746}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.579, "per_endpoint": {"solubility-aqsoldb": 0.575, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.71, "cyp3a4-substrate-carbonmangels": 0.72, "ld50-zhu": 0.484, "herg": 0.074, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.4, "novelty": 0.6}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "3", "pAct_q10": 4.621669021762104, "aff_pf": 1.9146668513615925, "aff_hs": 1.7120811939239502, "repeats_pf": {"runs": 3, "values": [1.867, 1.9773, 1.8997], "mean": 1.9147, "spread": 0.1103}, "repeats_hs": {"runs": 3, "values": [1.5602, 1.8621, 1.714], "mean": 1.7121, "spread": 0.3019}, "at": 1786812768}, "tier": 1, "relegate_reason": [], "submitted_at": 1786789486, "scored_at": 1786812768, "alerts": [], "rank": 6379}, {"candidate_id": "ODC-778718", "res_at": 1787160382, "skeleton": "BQLSNHQMYUXTQV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W3-R1-B1", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "O=C1CC[··········(O)CO", "total": 0.702, "axes": {"activity": 0.37, "binding": 0.08, "selectivity": 0.0, "admet": 0.12, "novelty": 0.1, "synthesis": 0.04}, "detail": {"activity": {"pAct_q10": 3.766, "fraction": 0.012}, "binding": {"pIC50": 3.7, "LE": 0.338, "potency_term": 0.004, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.643, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 0.731, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 4.01}}, "run": {"gpu": "3", "pAct_q10": 3.765775951868199, "aff_pf": 2.2980982462565103, "aff_hs": 1.2616961002349854, "repeats_pf": {"runs": 3, "values": [2.2718, 2.3068, 2.3157], "mean": 2.2981, "spread": 0.0439}, "repeats_hs": {"runs": 3, "values": [1.2238, 1.3636, 1.1977], "mean": 1.2617, "spread": 0.1658}, "at": 1787160382}, "tier": 1, "relegate_reason": [], "submitted_at": 1787148945, "scored_at": 1787160382, "alerts": [], "rank": 6380}, {"candidate_id": "ODC-7FCC03", "res_at": 1787402813, "skeleton": "UGFAIRIUMAVXCW", "hf_user": "NILKNARFGonzo", "display_name": "smoker the brae", "model_name": "", "mw_band": "0-50", "visibility": "public", "smiles": "[C-]#[O+]", "smiles_masked": null, "total": 0.694, "axes": {"activity": 0.19, "binding": 0.25, "selectivity": 0.0, "admet": 0.12, "novelty": 0.12, "synthesis": 0.0}, "detail": {"activity": {"pAct_q10": 3.504, "fraction": 0.006}, "binding": {"pIC50": 4.18, "LE": 2.86, "potency_term": 0.013, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.653, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 0.818, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.048, "novelty": 0.952}, "synthesis": {"sa_score": 6.13}}, "run": {"gpu": "3", "pAct_q10": 3.504226075733052, "aff_pf": 1.8244000673294067, "aff_hs": 1.340416669845581, "repeats_pf": {"runs": 3, "values": [2.1321, 1.5172, 1.8239], "mean": 1.8244, "spread": 0.6149}, "repeats_hs": {"runs": 3, "values": [1.4745, 1.3628, 1.184], "mean": 1.3404, "spread": 0.2905}, "at": 1787402813}, "tier": 1, "relegate_reason": [], "submitted_at": 1787402608, "scored_at": 1787402813, "alerts": [], "rank": 6381}, {"candidate_id": "Paracetamol", "is_anchor": true, "display_name": "기준물질", "model_name": "", "total": 0.693, "tier": 1, "axes": {"activity": 0.39, "binding": 0.12, "selectivity": 0.0, "admet": 0.11, "novelty": 0.0, "synthesis": 0.07}, "detail": {"activity": {"pAct_q10": 3.789, "fraction": 0.013}, "binding": {"pIC50": 3.89, "LE": 0.484, "potency_term": 0.006, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.001, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.549, "per_endpoint": {"solubility-aqsoldb": 1.0, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 1.41}}, "note": "해열진통제 — 말라리아와 무관 (음성 대조)", "note_en": "analgesic, nothing to do with malaria (negative control)", "rank": null}, {"candidate_id": "ODC-97B5EB", "res_at": 1789323592, "skeleton": "VXOTXKFILZYWKW", "hf_user": "dlghkdueo", "display_name": "dlghkdueo", "model_name": "OpenAI Codex / gpt-6-astra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccnc1", "total": 0.562, "axes": {"activity": 0.2, "binding": 0.17, "selectivity": 0.01, "admet": 0.07, "novelty": 0.06, "synthesis": 0.04}, "detail": {"activity": {"pAct_q10": 4.612, "fraction": 0.007}, "binding": {"pIC50": 5.03, "LE": 0.328, "potency_term": 0.009, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.048, "target_engagement": 0.009}, "admet": {"geometric_mean": 0.558, "per_endpoint": {"solubility-aqsoldb": 0.6, "caco2-wang": 0.866, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.548, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.315, "herg": 0.937, "dili": 0.232}}, "novelty": {"max_tanimoto": 0.347, "novelty": 0.653}, "synthesis": {"sa_score": 2.03}}, "run": {"gpu": "0", "pAct_q10": 4.612277009849399, "aff_pf": 0.973751962184906, "aff_hs": 1.070456822713216, "repeats_pf": {"runs": 3, "values": [1.0186, 0.9196, 0.983], "mean": 0.9738, "spread": 0.099}, "repeats_hs": {"runs": 3, "values": [1.0596, 1.0835, 1.0683], "mean": 1.0705, "spread": 0.0239}, "at": 1789323592}, "tier": 1, "alerts": [], "total_sd": 1.334, "total_ci95": [0.376, 4.129], "relegate_reason": [], "submitted_at": 1789317695, "scored_at": 1789323592, "rank": 6382}, {"candidate_id": "ODC-1B4B5F", "res_at": 1787902406, "skeleton": "CVOWOKADUVIUEY", "hf_user": "Bio-JS", "display_name": "코어교체: 퓨린형(9-메틸)", "model_name": "anthropic/claude-opus-5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cn1cnc2··········cnc21", "total": 0.554, "axes": {"activity": 0.16, "binding": 0.2, "selectivity": 0.0, "admet": 0.09, "novelty": 0.05, "synthesis": 0.05}, "detail": {"activity": {"pAct_q10": 4.609, "fraction": 0.005}, "binding": {"pIC50": 4.12, "LE": 0.269, "potency_term": 0.011, "efficiency_cap": 0.896}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.622, "per_endpoint": {"solubility-aqsoldb": 0.515, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.455, "herg": 0.29, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.458, "novelty": 0.542}, "synthesis": {"sa_score": 2.27}}, "run": {"gpu": "3", "pAct_q10": 4.609452543330619, "aff_pf": 1.8777650594711304, "aff_hs": 1.7443605661392212, "repeats_pf": {"runs": 3, "values": [1.9124, 1.8003, 1.9206], "mean": 1.8778, "spread": 0.1202}, "repeats_hs": {"runs": 3, "values": [1.769, 1.7173, 1.7468], "mean": 1.7444, "spread": 0.0517}, "at": 1787902406}, "tier": 1, "relegate_reason": [], "submitted_at": 1787889447, "scored_at": 1787902406, "alerts": [], "rank": 6383}, {"candidate_id": "ODC-55EEF1", "res_at": 1787166305, "skeleton": "METMPLGCKXCXLJ", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W8", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "NC(=O)c··········2)cc1", "total": 0.537, "axes": {"activity": 0.28, "binding": 0.06, "selectivity": 0.0, "admet": 0.08, "novelty": 0.06, "synthesis": 0.05}, "detail": {"activity": {"pAct_q10": 4.617, "fraction": 0.009}, "binding": {"pIC50": 3.72, "LE": 0.231, "potency_term": 0.004, "efficiency_cap": 0.771}, "selectivity": {"fold": 1.6, "selectivity_term": 0.097, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.608, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.949, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.837, "cyp3a4-substrate-carbonmangels": 0.917, "ld50-zhu": 0.347, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 1.94}}, "run": {"gpu": "3", "pAct_q10": 4.61675473230614, "aff_pf": 2.2849559783935547, "aff_hs": 2.4790727297465005, "repeats_pf": {"runs": 3, "values": [2.3038, 2.3095, 2.2416], "mean": 2.285, "spread": 0.0679}, "repeats_hs": {"runs": 3, "values": [2.494, 2.4751, 2.4681], "mean": 2.4791, "spread": 0.0259}, "at": 1787166305}, "tier": 1, "relegate_reason": [], "submitted_at": 1787156624, "scored_at": 1787166305, "alerts": [], "rank": 6384}, {"candidate_id": "ODC-1E90BD", "res_at": 1787362024, "skeleton": "HZEBHPIOVYHPMT", "hf_user": "NILKNARFGonzo", "display_name": "Hell", "model_name": "", "mw_band": "200-250", "visibility": "public", "smiles": "[210Po]", "smiles_masked": null, "total": 0.529, "axes": {"activity": 0.32, "binding": 0.0, "selectivity": 0.0, "admet": 0.1, "novelty": 0.1, "synthesis": 0.0}, "detail": {"activity": {"pAct_q10": 3.707, "fraction": 0.011}, "binding": {"reason": "도킹 없음"}, "selectivity": {"reason": "쌍 측정 없음"}, "admet": {"geometric_mean": 0.646, "per_endpoint": {"solubility-aqsoldb": 0.757, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.05, "herg": 1.0, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.034, "novelty": 0.966}, "synthesis": {"sa_score": 7.57}}, "run": {"gpu": "3", "pAct_q10": 3.7069156484815027, "aff_pf": null, "aff_hs": null, "repeats_pf": {"runs": 0}, "repeats_hs": {"runs": 0}, "at": 1787362024}, "tier": 1, "relegate_reason": [], "submitted_at": 1787361277, "scored_at": 1787362024, "alerts": [], "rank": 6385}, {"candidate_id": "ODC-6B2481", "res_at": 1789893103, "skeleton": "NMTCAYXZNGJDFW", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nn(C··········)(F)F", "total": 0.521, "axes": {"activity": 0.1, "binding": 0.21, "selectivity": 0.0, "admet": 0.09, "novelty": 0.07, "synthesis": 0.05}, "detail": {"activity": {"pAct_q10": 4.606, "fraction": 0.003}, "binding": {"pIC50": 4.1, "LE": 0.296, "potency_term": 0.011, "efficiency_cap": 0.986}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.588, "per_endpoint": {"solubility-aqsoldb": 0.485, "caco2-wang": 0.979, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.647, "cyp3a4-substrate-carbonmangels": 0.305, "ld50-zhu": 0.596, "herg": 0.436, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "2", "pAct_q10": 4.60617623170069, "aff_pf": 1.8978973627090454, "aff_hs": 1.6930607159932454, "repeats_pf": {"runs": 3, "values": [1.909, 1.8624, 1.9222], "mean": 1.8979, "spread": 0.0598}, "repeats_hs": {"runs": 3, "values": [1.8018, 1.8169, 1.4604], "mean": 1.6931, "spread": 0.3565}, "at": 1789893103}, "tier": 1, "alerts": [], "total_sd": 0.017, "total_ci95": [0.499, 0.564], "relegate_reason": [], "submitted_at": 1789689600, "scored_at": 1789893103, "rank": 6386}, {"candidate_id": "ODC-2DADE5", "res_at": 1786969533, "skeleton": "OWTXYKLMIGILKE", "hf_user": "lasbagas", "display_name": "tonado616", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 0.403, "axes": {"activity": 0.2, "binding": 0.07, "selectivity": 0.0, "admet": 0.06, "novelty": 0.04, "synthesis": 0.03}, "detail": {"activity": {"pAct_q10": 4.612, "fraction": 0.007}, "binding": {"pIC50": 3.75, "LE": 0.245, "potency_term": 0.004, "efficiency_cap": 0.816}, "selectivity": {"fold": 1.1, "selectivity_term": 0.021, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.652, "per_endpoint": {"solubility-aqsoldb": 0.837, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.055, "ld50-zhu": 0.361, "herg": 0.329, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "2", "pAct_q10": 4.6117379209155445, "aff_pf": 2.249149958292643, "aff_hs": 2.2905067602793374, "repeats_pf": {"runs": 3, "values": [2.2701, 2.2954, 2.182], "mean": 2.2491, "spread": 0.1134}, "repeats_hs": {"runs": 3, "values": [2.3227, 2.3061, 2.2427], "mean": 2.2905, "spread": 0.08}, "at": 1786969533}, "tier": 1, "relegate_reason": [], "submitted_at": 1786968638, "scored_at": 1786969533, "alerts": [], "rank": 6387}, {"candidate_id": "ODC-E263FD", "res_at": 1787547725, "skeleton": "LDOALJOXFSBQNH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 85.901, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 20.0, "admet": 4.86, "novelty": 7.18, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.634, "fraction": 1.0}, "binding": {"pIC50": 8.08, "LE": 0.307, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 156.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.634407046873524, "aff_pf": -2.075341065724691, "aff_hs": 0.11879058678944905, "repeats_pf": {"runs": 3, "values": [-2.0768, -2.0573, -2.0919], "mean": -2.0753, "spread": 0.0346}, "repeats_hs": {"runs": 3, "values": [0.0854, 0.1608, 0.1102], "mean": 0.1188, "spread": 0.0754}, "at": 1787547725}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.0, "total_ci95": [85.901, 85.901], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787526513, "scored_at": 1787547725, "rank": null}, {"candidate_id": "ODC-5065B4", "res_at": 1787189146, "skeleton": "UZSSUJKJVQENRN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 85.711, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 20.0, "admet": 4.65, "novelty": 6.86, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 6.408, "fraction": 1.0}, "binding": {"pIC50": 8.05, "LE": 0.315, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 153.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.262, "caco2-wang": 0.488, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.06, "dili": 0.221}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "3", "pAct_q10": 6.407912083009248, "aff_pf": -2.0533003012339273, "aff_hs": 0.13262536625067392, "repeats_pf": {"runs": 3, "values": [-2.0293, -2.0434, -2.0871], "mean": -2.0533, "spread": 0.0578}, "repeats_hs": {"runs": 3, "values": [0.2076, 0.1096, 0.0807], "mean": 0.1326, "spread": 0.1269}, "at": 1787189146}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.0, "total_ci95": [85.711, 85.711], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787186578, "scored_at": 1787189146, "rank": null}, {"candidate_id": "ODC-36CE61", "res_at": 1787354387, "skeleton": "RJTUJDNQGXZQAY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 85.641, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 20.0, "admet": 4.5, "novelty": 7.07, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.627, "fraction": 1.0}, "binding": {"pIC50": 8.14, "LE": 0.301, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 119.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.329, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.627112670549624, "aff_pf": -2.1365671952565513, "aff_hs": -0.058221235871315, "repeats_pf": {"runs": 3, "values": [-2.1443, -2.1589, -2.1065], "mean": -2.1366, "spread": 0.0524}, "repeats_hs": {"runs": 3, "values": [-0.1281, 0.3822, -0.4288], "mean": -0.0582, "spread": 0.811}, "at": 1787354387}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.797, "total_ci95": [82.767, 85.641], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787352425, "scored_at": 1787354387, "rank": null}, {"candidate_id": "ODC-4BB7E1", "res_at": 1787252217, "skeleton": "XUAUINARVJXUIK", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 85.588, "axes": {"activity": 29.92, "binding": 19.7, "selectivity": 19.7, "admet": 4.86, "novelty": 7.51, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.395, "fraction": 0.997}, "binding": {"pIC50": 7.95, "LE": 0.303, "potency_term": 0.985, "efficiency_cap": 1.0}, "selectivity": {"fold": 210.2, "selectivity_term": 1.0, "target_engagement": 0.985}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.259, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.735, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.395238053916893, "aff_pf": -1.9543348948160808, "aff_hs": 0.36822312076886493, "repeats_pf": {"runs": 3, "values": [-1.999, -1.9419, -1.9221], "mean": -1.9543, "spread": 0.0769}, "repeats_hs": {"runs": 3, "values": [0.5683, 0.2899, 0.2465], "mean": 0.3682, "spread": 0.3218}, "at": 1787252217}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.269, "total_ci95": [85.158, 86.221], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787244714, "scored_at": 1787252217, "rank": null}, {"candidate_id": "ODC-1A8C95", "res_at": 1787617227, "skeleton": "JRBBGJAEDVLJQQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 85.546, "axes": {"activity": 30.0, "binding": 19.94, "selectivity": 19.88, "admet": 4.66, "novelty": 7.23, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.6, "fraction": 1.0}, "binding": {"pIC50": 8.08, "LE": 0.299, "potency_term": 1.0, "efficiency_cap": 0.997}, "selectivity": {"fold": 97.4, "selectivity_term": 0.994, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.186, "caco2-wang": 0.449, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.743, "herg": 0.05, "dili": 0.147}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.599654189294778, "aff_pf": -2.0782481034596763, "aff_hs": -0.08989334106445312, "repeats_pf": {"runs": 3, "values": [-2.0677, -2.1044, -2.0626], "mean": -2.0782, "spread": 0.0419}, "repeats_hs": {"runs": 3, "values": [-0.0017, -0.1605, -0.1074], "mean": -0.0899, "spread": 0.1588}, "at": 1787617227}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.244, "total_ci95": [84.843, 85.721], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787616809, "scored_at": 1787617227, "rank": null}, {"candidate_id": "ODC-DB7C9E", "res_at": 1787271865, "skeleton": "GTZWRIPQEYCNBL", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 85.432, "axes": {"activity": 29.89, "binding": 20.0, "selectivity": 20.0, "admet": 4.54, "novelty": 7.01, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.393, "fraction": 0.996}, "binding": {"pIC50": 8.02, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 115.2, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.794, "herg": 0.05, "dili": 0.336}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.3931636457225025, "aff_pf": -2.021370013554891, "aff_hs": 0.039940898617108665, "repeats_pf": {"runs": 3, "values": [-2.1158, -1.9936, -1.9547], "mean": -2.0214, "spread": 0.161}, "repeats_hs": {"runs": 3, "values": [0.0405, 0.195, -0.1157], "mean": 0.0399, "spread": 0.3106}, "at": 1787271865}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.365, "total_ci95": [84.29, 85.432], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787270336, "scored_at": 1787271865, "rank": null}, {"candidate_id": "ODC-A189C4", "res_at": 1787488095, "skeleton": "CUKWLVCAGVBHCS", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 85.274, "axes": {"activity": 30.0, "binding": 19.83, "selectivity": 20.0, "admet": 4.29, "novelty": 7.26, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.419, "fraction": 1.0}, "binding": {"pIC50": 8.25, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.991}, "selectivity": {"fold": 174.9, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.177, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.167, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.419374962691522, "aff_pf": -2.2495242754618325, "aff_hs": -0.006698225935300191, "repeats_pf": {"runs": 3, "values": [-2.2244, -2.2332, -2.291], "mean": -2.2495, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [-0.215, 0.1179, 0.077], "mean": -0.0067, "spread": 0.3328}, "at": 1787488095}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.041, "total_ci95": [85.214, 85.374], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787485482, "scored_at": 1787488095, "rank": null}, {"candidate_id": "ODC-922079", "res_at": 1787617417, "skeleton": "QMELTJDVHOCBNN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 85.171, "axes": {"activity": 29.39, "binding": 20.0, "selectivity": 20.0, "admet": 4.98, "novelty": 7.21, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.363, "fraction": 0.98}, "binding": {"pIC50": 8.23, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 200.3, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.232, "caco2-wang": 0.503, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.854, "herg": 0.05, "dili": 0.137}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.48}}, "run": {"gpu": "3", "pAct_q10": 6.363286183498792, "aff_pf": -2.2259379227956138, "aff_hs": 0.0757451852162679, "repeats_pf": {"runs": 3, "values": [-2.2466, -2.1751, -2.2561], "mean": -2.2259, "spread": 0.0809}, "repeats_hs": {"runs": 3, "values": [0.0867, 0.0223, 0.1183], "mean": 0.0757, "spread": 0.096}, "at": 1787617417}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.0, "total_ci95": [85.171, 85.171], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787616816, "scored_at": 1787617417, "rank": null}, {"candidate_id": "ODC-FA6CA2", "res_at": 1787358384, "skeleton": "JHAYIDDXBHZZOH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 85.07, "axes": {"activity": 30.0, "binding": 19.8, "selectivity": 20.0, "admet": 4.19, "novelty": 6.99, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.527, "fraction": 1.0}, "binding": {"pIC50": 8.02, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.99}, "selectivity": {"fold": 152.8, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.139, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.267, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.527257964652323, "aff_pf": -2.0224711100260415, "aff_hs": 0.16162727028131485, "repeats_pf": {"runs": 3, "values": [-2.0837, -1.9245, -2.0592], "mean": -2.0225, "spread": 0.1592}, "repeats_hs": {"runs": 3, "values": [0.2027, 0.0945, 0.1877], "mean": 0.1616, "spread": 0.1082}, "at": 1787358384}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.299, "total_ci95": [83.833, 85.221], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787355248, "scored_at": 1787358384, "rank": null}, {"candidate_id": "ODC-91059F", "res_at": 1787354184, "skeleton": "ZNYVRJADARETJR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 84.987, "axes": {"activity": 30.0, "binding": 19.24, "selectivity": 19.62, "admet": 4.89, "novelty": 7.36, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.483, "fraction": 1.0}, "binding": {"pIC50": 7.94, "LE": 0.294, "potency_term": 0.981, "efficiency_cap": 0.98}, "selectivity": {"fold": 285.1, "selectivity_term": 1.0, "target_engagement": 0.981}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.232, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.099}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.48295678352112, "aff_pf": -1.94312584400177, "aff_hs": 0.5119156440099081, "repeats_pf": {"runs": 3, "values": [-1.9848, -1.8917, -1.9529], "mean": -1.9431, "spread": 0.093}, "repeats_hs": {"runs": 3, "values": [0.5599, 0.4397, 0.5361], "mean": 0.5119, "spread": 0.1202}, "at": 1787354184}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.309, "total_ci95": [84.503, 85.64], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787351682, "scored_at": 1787354184, "rank": null}, {"candidate_id": "ODC-199D1C", "res_at": 1787356394, "skeleton": "BKOQRVCSKVRJNH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········C)CC1", "total": 84.949, "axes": {"activity": 30.0, "binding": 19.71, "selectivity": 19.15, "admet": 4.88, "novelty": 7.02, "synthesis": 4.18}, "detail": {"activity": {"pAct_q10": 6.461, "fraction": 1.0}, "binding": {"pIC50": 7.96, "LE": 0.303, "potency_term": 0.986, "efficiency_cap": 1.0}, "selectivity": {"fold": 87.7, "selectivity_term": 0.972, "target_engagement": 0.986}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.278, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.224}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.460988440019525, "aff_pf": -1.956723928451538, "aff_hs": -0.013598963618278503, "repeats_pf": {"runs": 3, "values": [-1.8844, -1.999, -1.9867], "mean": -1.9567, "spread": 0.1146}, "repeats_hs": {"runs": 3, "values": [-0.0537, -0.0201, 0.0331], "mean": -0.0136, "spread": 0.0868}, "at": 1787356394}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.723, "total_ci95": [83.411, 86.019], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353652, "scored_at": 1787356394, "rank": null}, {"candidate_id": "ODC-365A99", "res_at": 1787353787, "skeleton": "HQSQOUYCIDHXPJ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 84.908, "axes": {"activity": 30.0, "binding": 19.81, "selectivity": 19.64, "admet": 4.34, "novelty": 7.05, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.564, "fraction": 1.0}, "binding": {"pIC50": 8.03, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.991}, "selectivity": {"fold": 92.0, "selectivity_term": 0.982, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.641, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.563978762962931, "aff_pf": -2.026453455289205, "aff_hs": -0.06257494290669759, "repeats_pf": {"runs": 3, "values": [-1.9141, -2.0619, -2.1033], "mean": -2.0265, "spread": 0.1892}, "repeats_hs": {"runs": 3, "values": [-0.6221, 0.3608, 0.0736], "mean": -0.0626, "spread": 0.983}, "at": 1787353787}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.692, "total_ci95": [79.313, 85.456], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787351641, "scored_at": 1787353787, "rank": null}, {"candidate_id": "ODC-E06C13", "res_at": 1787209376, "skeleton": "FANOSQYJVLLHCI", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 84.901, "axes": {"activity": 30.0, "binding": 19.52, "selectivity": 19.52, "admet": 4.49, "novelty": 7.44, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.508, "fraction": 1.0}, "binding": {"pIC50": 7.93, "LE": 0.302, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 102.8, "selectivity_term": 1.0, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.189, "caco2-wang": 0.554, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.134, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.065, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.508183136608332, "aff_pf": -1.9278546174367268, "aff_hs": 0.08396464586257935, "repeats_pf": {"runs": 3, "values": [-1.9706, -1.9429, -1.8701], "mean": -1.9279, "spread": 0.1005}, "repeats_hs": {"runs": 3, "values": [0.0805, 0.1698, 0.0016], "mean": 0.084, "spread": 0.1682}, "at": 1787209376}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.497, "total_ci95": [83.451, 85.471], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787207318, "scored_at": 1787209376, "rank": null}, {"candidate_id": "ODC-231A73", "res_at": 1787608786, "skeleton": "STOVNYXYTNUWFX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(F··········F)CC1", "total": 84.883, "axes": {"activity": 30.0, "binding": 19.58, "selectivity": 19.88, "admet": 4.62, "novelty": 7.22, "synthesis": 3.59}, "detail": {"activity": {"pAct_q10": 6.509, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.296, "potency_term": 0.994, "efficiency_cap": 0.985}, "selectivity": {"fold": 104.7, "selectivity_term": 1.0, "target_engagement": 0.994}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.299, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.889, "herg": 0.078, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.49}}, "run": {"gpu": "3", "pAct_q10": 6.508545119468038, "aff_pf": -1.9812660217285156, "aff_hs": 0.038683305184046425, "repeats_pf": {"runs": 3, "values": [-1.9784, -2.0809, -1.8846], "mean": -1.9813, "spread": 0.1963}, "repeats_hs": {"runs": 3, "values": [0.0718, -0.0204, 0.0647], "mean": 0.0387, "spread": 0.0923}, "at": 1787608786}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.671, "total_ci95": [82.909, 85.376], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787608589, "scored_at": 1787608786, "rank": null}, {"candidate_id": "ODC-E90DC7", "res_at": 1787206642, "skeleton": "HGYKWOVFCPFKNT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 84.75, "axes": {"activity": 28.87, "binding": 19.95, "selectivity": 19.95, "admet": 4.53, "novelty": 7.48, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.332, "fraction": 0.962}, "binding": {"pIC50": 7.99, "LE": 0.304, "potency_term": 0.998, "efficiency_cap": 1.0}, "selectivity": {"fold": 102.7, "selectivity_term": 1.0, "target_engagement": 0.998}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.535, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.062, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.717, "herg": 0.05, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.3320021387430385, "aff_pf": -1.9930206139882405, "aff_hs": 0.018635491530100506, "repeats_pf": {"runs": 3, "values": [-2.0256, -2.0305, -1.923], "mean": -1.993, "spread": 0.1075}, "repeats_hs": {"runs": 3, "values": [0.0476, 0.0357, -0.0274], "mean": 0.0186, "spread": 0.0749}, "at": 1787206642}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.518, "total_ci95": [82.913, 84.88], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787202669, "scored_at": 1787206642, "rank": null}, {"candidate_id": "ODC-72170C", "res_at": 1787548354, "skeleton": "XNNKVVRFQUPHIZ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 84.725, "axes": {"activity": 30.0, "binding": 19.16, "selectivity": 19.95, "admet": 4.6, "novelty": 7.18, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.503, "fraction": 1.0}, "binding": {"pIC50": 7.99, "LE": 0.288, "potency_term": 0.997, "efficiency_cap": 0.96}, "selectivity": {"fold": 539.7, "selectivity_term": 1.0, "target_engagement": 0.997}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.533, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.282, "cyp3a4-substrate-carbonmangels": 0.064, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.503398068299467, "aff_pf": -1.9922768274943035, "aff_hs": 0.7398502429326376, "repeats_pf": {"runs": 3, "values": [-2.1108, -2.0119, -1.8541], "mean": -1.9923, "spread": 0.2567}, "repeats_hs": {"runs": 3, "values": [0.8671, 0.6996, 0.6528], "mean": 0.7399, "spread": 0.2143}, "at": 1787548354}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.611, "total_ci95": [83.408, 85.032], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527200, "scored_at": 1787548354, "rank": null}, {"candidate_id": "ODC-CDC28B", "res_at": 1787548769, "skeleton": "UHWDDCYGKNUVKC", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 84.638, "axes": {"activity": 30.0, "binding": 19.36, "selectivity": 19.36, "admet": 4.77, "novelty": 7.21, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.554, "fraction": 1.0}, "binding": {"pIC50": 7.9, "LE": 0.301, "potency_term": 0.968, "efficiency_cap": 1.0}, "selectivity": {"fold": 144.5, "selectivity_term": 1.0, "target_engagement": 0.968}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.21, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.741, "herg": 0.051, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.5540549223927105, "aff_pf": -1.9039435784022014, "aff_hs": 0.25587885578473407, "repeats_pf": {"runs": 3, "values": [-1.9608, -1.9085, -1.8426], "mean": -1.9039, "spread": 0.1182}, "repeats_hs": {"runs": 3, "values": [0.2302, 0.1905, 0.3469], "mean": 0.2559, "spread": 0.1564}, "at": 1787548769}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.356, "total_ci95": [84.068, 85.396], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527212, "scored_at": 1787548769, "rank": null}, {"candidate_id": "ODC-8F0F6C", "res_at": 1787207475, "skeleton": "LKQFOOWJKGLPAM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 84.615, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 18.04, "admet": 4.99, "novelty": 7.58, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.439, "fraction": 1.0}, "binding": {"pIC50": 8.04, "LE": 0.306, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.7, "selectivity_term": 0.902, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.225, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.125, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.128, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.438933758607923, "aff_pf": -2.0435524781545005, "aff_hs": -0.23917887111504874, "repeats_pf": {"runs": 3, "values": [-2.0289, -2.0623, -2.0395], "mean": -2.0436, "spread": 0.0334}, "repeats_hs": {"runs": 3, "values": [-0.1756, -0.2604, -0.2815], "mean": -0.2392, "spread": 0.106}, "at": 1787207475}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.279, "total_ci95": [84.151, 85.216], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787203879, "scored_at": 1787207475, "rank": null}, {"candidate_id": "ODC-BDD100", "res_at": 1787485909, "skeleton": "GEQOXHQYFZWBQD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 84.516, "axes": {"activity": 30.0, "binding": 19.46, "selectivity": 20.0, "admet": 3.9, "novelty": 7.29, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.565, "fraction": 1.0}, "binding": {"pIC50": 8.1, "LE": 0.292, "potency_term": 1.0, "efficiency_cap": 0.973}, "selectivity": {"fold": 257.2, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.542, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.106, "ld50-zhu": 0.656, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.564707769192184, "aff_pf": -2.0960400104522705, "aff_hs": 0.3143048360943794, "repeats_pf": {"runs": 3, "values": [-2.082, -2.1061, -2.1], "mean": -2.096, "spread": 0.024}, "repeats_hs": {"runs": 3, "values": [0.1157, 0.3604, 0.4669], "mean": 0.3143, "spread": 0.3512}, "at": 1787485909}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.015, "total_ci95": [84.482, 84.54], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787485333, "scored_at": 1787485909, "rank": null}, {"candidate_id": "ODC-C86857", "res_at": 1787435053, "skeleton": "JZIDPJLUXZGGTO", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 84.331, "axes": {"activity": 30.0, "binding": 19.54, "selectivity": 19.19, "admet": 4.45, "novelty": 7.21, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.498, "fraction": 1.0}, "binding": {"pIC50": 7.93, "LE": 0.302, "potency_term": 0.977, "efficiency_cap": 1.0}, "selectivity": {"fold": 92.2, "selectivity_term": 0.982, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.17, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.195, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.736, "herg": 0.071, "dili": 0.063}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.49793358173076, "aff_pf": -1.930637041727702, "aff_hs": 0.034019485116004944, "repeats_pf": {"runs": 3, "values": [-1.9425, -1.9217, -1.9277], "mean": -1.9306, "spread": 0.0209}, "repeats_hs": {"runs": 3, "values": [0.3037, -0.0559, -0.1457], "mean": 0.034, "spread": 0.4493}, "at": 1787435053}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.66, "total_ci95": [82.712, 84.769], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787434859, "scored_at": 1787435053, "rank": null}, {"candidate_id": "ODC-440873", "res_at": 1787353984, "skeleton": "NWYCKECITUNNSE", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 84.299, "axes": {"activity": 30.0, "binding": 19.34, "selectivity": 19.7, "admet": 4.25, "novelty": 6.92, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.571, "fraction": 1.0}, "binding": {"pIC50": 7.95, "LE": 0.295, "potency_term": 0.985, "efficiency_cap": 0.982}, "selectivity": {"fold": 132.8, "selectivity_term": 1.0, "target_engagement": 0.985}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.146, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.57073357373804, "aff_pf": -1.9543278217315674, "aff_hs": 0.16893038402001062, "repeats_pf": {"runs": 3, "values": [-2.0194, -1.9925, -1.8511], "mean": -1.9543, "spread": 0.1682}, "repeats_hs": {"runs": 3, "values": [0.2098, 0.2158, 0.0812], "mean": 0.1689, "spread": 0.1346}, "at": 1787353984}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.652, "total_ci95": [82.693, 85.063], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787351669, "scored_at": 1787353984, "rank": null}, {"candidate_id": "ODC-47316C", "res_at": 1787327919, "skeleton": "SQOSTTNWGBRXHF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 84.298, "axes": {"activity": 30.0, "binding": 19.2, "selectivity": 19.2, "admet": 5.0, "novelty": 7.04, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.461, "fraction": 1.0}, "binding": {"pIC50": 7.88, "LE": 0.3, "potency_term": 0.96, "efficiency_cap": 1.0}, "selectivity": {"fold": 206.2, "selectivity_term": 1.0, "target_engagement": 0.96}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.195, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.296, "novelty": 0.704}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.46064718821379, "aff_pf": -1.8803677558898926, "aff_hs": 0.4339086214701335, "repeats_pf": {"runs": 3, "values": [-1.8416, -1.921, -1.8785], "mean": -1.8804, "spread": 0.0794}, "repeats_hs": {"runs": 3, "values": [0.5096, 0.4134, 0.3787], "mean": 0.4339, "spread": 0.1308}, "at": 1787327919}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.249, "total_ci95": [83.881, 84.847], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787325755, "scored_at": 1787327919, "rank": null}, {"candidate_id": "ODC-5720AF", "res_at": 1787168413, "skeleton": "NUPMVIGYNHAZRF", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 84.271, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 18.16, "admet": 4.71, "novelty": 7.24, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.445, "fraction": 1.0}, "binding": {"pIC50": 8.05, "LE": 0.306, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 65.4, "selectivity_term": 0.908, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.215, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 0.989, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.36, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.081, "dili": 0.054}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.445472693788183, "aff_pf": -2.051644484202067, "aff_hs": -0.23593479891618094, "repeats_pf": {"runs": 3, "values": [-2.0186, -2.0761, -2.0602], "mean": -2.0516, "spread": 0.0574}, "repeats_hs": {"runs": 3, "values": [-0.2658, -0.1875, -0.2546], "mean": -0.2359, "spread": 0.0783}, "at": 1787168413}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.22, "total_ci95": [83.903, 84.723], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787161958, "scored_at": 1787168413, "rank": null}, {"candidate_id": "ODC-E845E3", "res_at": 1787550822, "skeleton": "PVMDLCRAFXTACA", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 84.201, "axes": {"activity": 30.0, "binding": 19.62, "selectivity": 18.73, "admet": 4.52, "novelty": 7.21, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 6.559, "fraction": 1.0}, "binding": {"pIC50": 7.94, "LE": 0.302, "potency_term": 0.981, "efficiency_cap": 1.0}, "selectivity": {"fold": 81.2, "selectivity_term": 0.955, "target_engagement": 0.981}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 0.986, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.664, "herg": 0.094, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.559450847229866, "aff_pf": -1.9424073696136475, "aff_hs": -0.03266050418217977, "repeats_pf": {"runs": 3, "values": [-2.0099, -1.8868, -1.9306], "mean": -1.9424, "spread": 0.1231}, "repeats_hs": {"runs": 3, "values": [-0.0225, 0.0114, -0.0869], "mean": -0.0327, "spread": 0.0983}, "at": 1787550822}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.682, "total_ci95": [83.038, 85.841], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527294, "scored_at": 1787550822, "rank": null}, {"candidate_id": "ODC-489BBD", "res_at": 1787644019, "skeleton": "QFFRMKYDSRMRRO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 84.135, "axes": {"activity": 30.0, "binding": 19.18, "selectivity": 19.24, "admet": 4.78, "novelty": 7.1, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.607, "fraction": 1.0}, "binding": {"pIC50": 7.94, "LE": 0.294, "potency_term": 0.979, "efficiency_cap": 0.98}, "selectivity": {"fold": 92.3, "selectivity_term": 0.983, "target_engagement": 0.979}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.185, "caco2-wang": 0.484, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.333, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.765, "herg": 0.05, "dili": 0.183}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.606895456973371, "aff_pf": -1.9372445344924927, "aff_hs": 0.02793737252553304, "repeats_pf": {"runs": 3, "values": [-1.9931, -1.9644, -1.8542], "mean": -1.9372, "spread": 0.1389}, "repeats_hs": {"runs": 3, "values": [0.024, 0.0212, 0.0386], "mean": 0.0279, "spread": 0.0174}, "at": 1787644019}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.84, "total_ci95": [82.118, 85.35], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787640226, "scored_at": 1787644019, "rank": null}, {"candidate_id": "ODC-C1D361", "res_at": 1787651289, "skeleton": "FTEVOGXLNZMXIT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········l)CC1", "total": 84.12, "axes": {"activity": 30.0, "binding": 19.88, "selectivity": 18.62, "admet": 4.65, "novelty": 7.06, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.528, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.304, "potency_term": 0.994, "efficiency_cap": 1.0}, "selectivity": {"fold": 74.7, "selectivity_term": 0.937, "target_engagement": 0.994}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.261, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.05, "dili": 0.329}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.527550062677577, "aff_pf": -1.9823261499404907, "aff_hs": -0.10895752906799316, "repeats_pf": {"runs": 3, "values": [-2.0203, -1.9125, -2.0141], "mean": -1.9823, "spread": 0.1078}, "repeats_hs": {"runs": 3, "values": [-0.0602, -0.263, -0.0037], "mean": -0.109, "spread": 0.2593}, "at": 1787651289}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.872, "total_ci95": [81.884, 85.614], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647917, "scored_at": 1787651289, "rank": null}, {"candidate_id": "ODC-67F850", "res_at": 1787612055, "skeleton": "KOHSGBKXPMDZFG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 83.847, "axes": {"activity": 29.02, "binding": 19.83, "selectivity": 20.0, "admet": 4.14, "novelty": 7.08, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.341, "fraction": 0.967}, "binding": {"pIC50": 8.03, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.992}, "selectivity": {"fold": 168.4, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.283, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.808, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.341151349898333, "aff_pf": -2.0347338120142617, "aff_hs": 0.19167290131251016, "repeats_pf": {"runs": 3, "values": [-2.017, -1.9487, -2.1385], "mean": -2.0347, "spread": 0.1898}, "repeats_hs": {"runs": 3, "values": [0.1482, 0.2098, 0.2171], "mean": 0.1917, "spread": 0.0689}, "at": 1787612055}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.403, "total_ci95": [82.589, 84.14], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787611855, "scored_at": 1787612055, "rank": null}, {"candidate_id": "ODC-7B4DA3", "res_at": 1787327246, "skeleton": "OKJUURSGQDWBMT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········F)CC1", "total": 83.826, "axes": {"activity": 29.12, "binding": 19.13, "selectivity": 19.54, "admet": 4.99, "novelty": 7.36, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.347, "fraction": 0.971}, "binding": {"pIC50": 7.93, "LE": 0.294, "potency_term": 0.977, "efficiency_cap": 0.979}, "selectivity": {"fold": 108.9, "selectivity_term": 1.0, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.081, "caco2-wang": 0.591, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.196, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.225, "ld50-zhu": 0.789, "herg": 0.05, "dili": 0.106}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.346976964285098, "aff_pf": -1.9311869144439697, "aff_hs": 0.10580500960350037, "repeats_pf": {"runs": 3, "values": [-1.991, -1.9528, -1.8498], "mean": -1.9312, "spread": 0.1412}, "repeats_hs": {"runs": 3, "values": [0.0341, 0.0057, 0.2776], "mean": 0.1058, "spread": 0.2719}, "at": 1787327246}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.713, "total_ci95": [82.125, 84.973], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787325688, "scored_at": 1787327246, "rank": null}, {"candidate_id": "ODC-652F37", "res_at": 1787486308, "skeleton": "PYQBFTWHMSBLPZ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 83.789, "axes": {"activity": 30.0, "binding": 19.45, "selectivity": 18.69, "admet": 4.48, "novelty": 7.29, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.403, "fraction": 1.0}, "binding": {"pIC50": 8.09, "LE": 0.292, "potency_term": 1.0, "efficiency_cap": 0.972}, "selectivity": {"fold": 74.0, "selectivity_term": 0.935, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.534, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.073, "cyp2c9-veith": 0.174, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.124}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.402987241120411, "aff_pf": -2.091635306676229, "aff_hs": -0.2224310040473938, "repeats_pf": {"runs": 3, "values": [-2.0379, -2.117, -2.12], "mean": -2.0916, "spread": 0.0821}, "repeats_hs": {"runs": 3, "values": [-0.3499, -0.0569, -0.2605], "mean": -0.2224, "spread": 0.293}, "at": 1787486308}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.748, "total_ci95": [82.473, 85.099], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787485355, "scored_at": 1787486308, "rank": null}, {"candidate_id": "ODC-0C34C0", "res_at": 1787354587, "skeleton": "LMYPSVFNXKZRRY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 83.741, "axes": {"activity": 30.0, "binding": 19.8, "selectivity": 17.9, "admet": 5.06, "novelty": 6.92, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.64, "fraction": 1.0}, "binding": {"pIC50": 7.97, "LE": 0.303, "potency_term": 0.99, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.3, "selectivity_term": 0.904, "target_engagement": 0.99}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.062, "dili": 0.281}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.639886279534302, "aff_pf": -1.9693636894226074, "aff_hs": -0.16097557544708252, "repeats_pf": {"runs": 3, "values": [-1.9719, -2.0089, -1.9273], "mean": -1.9694, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [-0.2805, -0.1395, -0.0629], "mean": -0.161, "spread": 0.2176}, "at": 1787354587}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.639, "total_ci95": [82.418, 84.8], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787352434, "scored_at": 1787354587, "rank": null}, {"candidate_id": "ODC-A4B31A", "res_at": 1787548562, "skeleton": "BMLBDSHNLDQRCX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········l)CC1", "total": 83.74, "axes": {"activity": 30.0, "binding": 18.93, "selectivity": 19.01, "admet": 4.86, "novelty": 6.9, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.507, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.299, "potency_term": 0.95, "efficiency_cap": 0.996}, "selectivity": {"fold": 100.9, "selectivity_term": 1.0, "target_engagement": 0.95}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.324, "caco2-wang": 0.48, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.05, "dili": 0.295}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.506904973898773, "aff_pf": -1.8513588905334473, "aff_hs": 0.15241927901903787, "repeats_pf": {"runs": 3, "values": [-1.8355, -1.8519, -1.8666], "mean": -1.8514, "spread": 0.0311}, "repeats_hs": {"runs": 3, "values": [0.0769, 0.2361, 0.1443], "mean": 0.1524, "spread": 0.1592}, "at": 1787548562}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.249, "total_ci95": [83.058, 83.98], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527206, "scored_at": 1787548562, "rank": null}, {"candidate_id": "ODC-D9C4DA", "res_at": 1787714633, "skeleton": "LRJVLBOMTMPPMX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 83.703, "axes": {"activity": 29.67, "binding": 19.84, "selectivity": 18.67, "admet": 4.89, "novelty": 7.03, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.38, "fraction": 0.989}, "binding": {"pIC50": 8.04, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.992}, "selectivity": {"fold": 73.5, "selectivity_term": 0.933, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.329, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.241, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.725, "herg": 0.05, "dili": 0.263}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 6.380123876047992, "aff_pf": -2.035507400830587, "aff_hs": -0.16894696156183878, "repeats_pf": {"runs": 3, "values": [-1.9182, -2.0882, -2.1001], "mean": -2.0355, "spread": 0.1818}, "repeats_hs": {"runs": 3, "values": [-0.1608, -0.1541, -0.1919], "mean": -0.1689, "spread": 0.0378}, "at": 1787714633}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.857, "total_ci95": [81.186, 84.679], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787714382, "scored_at": 1787714633, "rank": null}, {"candidate_id": "ODC-BF5493", "res_at": 1787416388, "skeleton": "YPDXLCLAWWPFQU", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········)CCC1", "total": 83.663, "axes": {"activity": 30.0, "binding": 19.25, "selectivity": 19.25, "admet": 3.75, "novelty": 7.43, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.409, "fraction": 1.0}, "binding": {"pIC50": 7.89, "LE": 0.3, "potency_term": 0.963, "efficiency_cap": 1.0}, "selectivity": {"fold": 122.8, "selectivity_term": 1.0, "target_engagement": 0.963}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.147, "caco2-wang": 0.574, "hia-hou": 1.0, "bioavailability-ma": 0.794, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.691, "herg": 0.056, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.4087605863406205, "aff_pf": -1.8880672852198284, "aff_hs": 0.2011215090751648, "repeats_pf": {"runs": 3, "values": [-1.8126, -1.9713, -1.8803], "mean": -1.8881, "spread": 0.1587}, "repeats_hs": {"runs": 3, "values": [0.1961, 0.0092, 0.398], "mean": 0.2011, "spread": 0.3888}, "at": 1787416388}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.648, "total_ci95": [82.489, 84.773], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787410945, "scored_at": 1787416388, "rank": null}, {"candidate_id": "ODC-52404D", "res_at": 1787328213, "skeleton": "YKEBPCKNQBHTSW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 83.597, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 18.06, "admet": 4.52, "novelty": 6.93, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.474, "fraction": 1.0}, "binding": {"pIC50": 8.04, "LE": 0.306, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 64.0, "selectivity_term": 0.903, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.245, "caco2-wang": 0.439, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.242}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.474275835218427, "aff_pf": -2.0361359119415283, "aff_hs": -0.23027591407299042, "repeats_pf": {"runs": 3, "values": [-2.0316, -2.0594, -2.0174], "mean": -2.0361, "spread": 0.0421}, "repeats_hs": {"runs": 3, "values": [-0.6141, -0.0791, 0.0024], "mean": -0.2303, "spread": 0.6165}, "at": 1787328213}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.467, "total_ci95": [81.355, 85.539], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787326217, "scored_at": 1787328213, "rank": null}, {"candidate_id": "ODC-6F645B", "res_at": 1787586172, "skeleton": "AOISSEFFMUSCKD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 83.439, "axes": {"activity": 30.0, "binding": 18.29, "selectivity": 18.29, "admet": 5.78, "novelty": 7.11, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.427, "fraction": 1.0}, "binding": {"pIC50": 7.74, "LE": 0.303, "potency_term": 0.915, "efficiency_cap": 1.0}, "selectivity": {"fold": 533.5, "selectivity_term": 1.0, "target_engagement": 0.915}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.348, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.916, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.623, "herg": 0.05, "dili": 0.3}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.42651481286046, "aff_pf": -1.7440684636433919, "aff_hs": 0.9830348292986552, "repeats_pf": {"runs": 3, "values": [-1.6842, -1.7676, -1.7804], "mean": -1.7441, "spread": 0.0963}, "repeats_hs": {"runs": 3, "values": [1.1631, 0.8143, 0.9717], "mean": 0.983, "spread": 0.3489}, "at": 1787586172}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.321, "total_ci95": [82.64, 83.923], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583613, "scored_at": 1787586172, "rank": null}, {"candidate_id": "ODC-78B8D2", "res_at": 1787643818, "skeleton": "MJWLBMZZSXEALF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 83.38, "axes": {"activity": 30.0, "binding": 18.85, "selectivity": 19.33, "admet": 3.97, "novelty": 7.33, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.653, "fraction": 1.0}, "binding": {"pIC50": 7.9, "LE": 0.293, "potency_term": 0.967, "efficiency_cap": 0.975}, "selectivity": {"fold": 108.6, "selectivity_term": 1.0, "target_engagement": 0.967}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.353, "hia-hou": 1.0, "bioavailability-ma": 0.995, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.726, "herg": 0.05, "dili": 0.186}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.653353710206209, "aff_pf": -1.8998202085494995, "aff_hs": 0.13613024353981018, "repeats_pf": {"runs": 3, "values": [-1.9578, -1.878, -1.8636], "mean": -1.8998, "spread": 0.0942}, "repeats_hs": {"runs": 3, "values": [0.1016, 0.0838, 0.223], "mean": 0.1361, "spread": 0.1392}, "at": 1787643818}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.433, "total_ci95": [82.548, 84.284], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787640211, "scored_at": 1787643818, "rank": null}, {"candidate_id": "ODC-E8D25B", "res_at": 1787287009, "skeleton": "NRZTYNFMXHAFFW", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 83.316, "axes": {"activity": 27.99, "binding": 19.97, "selectivity": 19.97, "admet": 3.89, "novelty": 7.49, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.279, "fraction": 0.933}, "binding": {"pIC50": 8.0, "LE": 0.304, "potency_term": 0.998, "efficiency_cap": 1.0}, "selectivity": {"fold": 169.3, "selectivity_term": 1.0, "target_engagement": 0.998}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.054, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.2794749881938206, "aff_pf": -1.995493729909261, "aff_hs": 0.2330684463183085, "repeats_pf": {"runs": 3, "values": [-2.0172, -2.0269, -1.9424], "mean": -1.9955, "spread": 0.0845}, "repeats_hs": {"runs": 3, "values": [0.2019, 0.2266, 0.2706], "mean": 0.2331, "spread": 0.0687}, "at": 1787287009}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.245, "total_ci95": [82.796, 83.399], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787286096, "scored_at": 1787287009, "rank": null}, {"candidate_id": "ODC-2CD23F", "res_at": 1787976355, "skeleton": "HZUYQUZZGBBGEM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-05", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········F)CC1", "total": 83.275, "axes": {"activity": 30.0, "binding": 18.81, "selectivity": 19.19, "admet": 4.1, "novelty": 7.24, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.507, "fraction": 1.0}, "binding": {"pIC50": 7.95, "LE": 0.287, "potency_term": 0.984, "efficiency_cap": 0.956}, "selectivity": {"fold": 89.2, "selectivity_term": 0.975, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.476, "hia-hou": 1.0, "bioavailability-ma": 0.893, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.754, "herg": 0.098, "dili": 0.129}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "0", "pAct_q10": 6.5066915779929015, "aff_pf": -1.95259690284729, "aff_hs": -0.002343436082204183, "repeats_pf": {"runs": 3, "values": [-1.8772, -2.0674, -1.9132], "mean": -1.9526, "spread": 0.1902}, "repeats_hs": {"runs": 3, "values": [0.0234, -0.1493, 0.1188], "mean": -0.0023, "spread": 0.2681}, "at": 1787976355}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.078, "total_ci95": [80.855, 84.659], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967388, "scored_at": 1787976355, "rank": null}, {"candidate_id": "ODC-C9E675", "res_at": 1787933253, "skeleton": "QDVGVTVHKNNADC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-05", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 83.208, "axes": {"activity": 30.0, "binding": 19.17, "selectivity": 18.74, "admet": 4.13, "novelty": 7.24, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.516, "fraction": 1.0}, "binding": {"pIC50": 7.94, "LE": 0.294, "potency_term": 0.978, "efficiency_cap": 0.979}, "selectivity": {"fold": 82.2, "selectivity_term": 0.957, "target_engagement": 0.978}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.061, "caco2-wang": 0.561, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.319, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.059, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.516313908100186, "aff_pf": -1.9352794885635376, "aff_hs": -0.020346149802207947, "repeats_pf": {"runs": 3, "values": [-1.9613, -1.884, -1.9605], "mean": -1.9353, "spread": 0.0772}, "repeats_hs": {"runs": 3, "values": [-0.0486, 0.0474, -0.0599], "mean": -0.0203, "spread": 0.1073}, "at": 1787933253}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.558, "total_ci95": [82.216, 84.203], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909190, "scored_at": 1787933253, "rank": null}, {"candidate_id": "ODC-C1556E", "res_at": 1787373080, "skeleton": "XCKBSORSQLKAEM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 83.175, "axes": {"activity": 30.0, "binding": 18.56, "selectivity": 18.56, "admet": 4.87, "novelty": 6.99, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 6.615, "fraction": 1.0}, "binding": {"pIC50": 7.78, "LE": 0.305, "potency_term": 0.928, "efficiency_cap": 1.0}, "selectivity": {"fold": 168.3, "selectivity_term": 1.0, "target_engagement": 0.928}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.358, "caco2-wang": 0.472, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.136, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.234}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.614605629996042, "aff_pf": -1.7844170331954956, "aff_hs": 0.44156861305236816, "repeats_pf": {"runs": 3, "values": [-1.8041, -1.7439, -1.8053], "mean": -1.7844, "spread": 0.0614}, "repeats_hs": {"runs": 3, "values": [0.4241, 0.4164, 0.4842], "mean": 0.4416, "spread": 0.0678}, "at": 1787373080}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.218, "total_ci95": [82.634, 83.448], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787365659, "scored_at": 1787373080, "rank": null}, {"candidate_id": "ODC-52FB09", "res_at": 1787548974, "skeleton": "IHUAEXKLJCRNKF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 83.17, "axes": {"activity": 28.21, "binding": 19.57, "selectivity": 20.0, "admet": 4.34, "novelty": 7.27, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.293, "fraction": 0.94}, "binding": {"pIC50": 8.14, "LE": 0.294, "potency_term": 1.0, "efficiency_cap": 0.979}, "selectivity": {"fold": 141.5, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.154, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.294, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.714, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.292546530573764, "aff_pf": -2.1436594327290854, "aff_hs": 0.006967633962631226, "repeats_pf": {"runs": 3, "values": [-2.1352, -2.1454, -2.1504], "mean": -2.1437, "spread": 0.0151}, "repeats_hs": {"runs": 3, "values": [0.0352, 0.1, -0.1143], "mean": 0.007, "spread": 0.2144}, "at": 1787548974}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.016, "total_ci95": [83.134, 83.192], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527223, "scored_at": 1787548974, "rank": null}, {"candidate_id": "ODC-E377DC", "res_at": 1787430692, "skeleton": "KERIHOZFWCJUFD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 83.17, "axes": {"activity": 29.59, "binding": 19.63, "selectivity": 18.38, "admet": 4.9, "novelty": 6.89, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.375, "fraction": 0.986}, "binding": {"pIC50": 7.94, "LE": 0.302, "potency_term": 0.982, "efficiency_cap": 1.0}, "selectivity": {"fold": 74.6, "selectivity_term": 0.937, "target_engagement": 0.982}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.288, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.193, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.801, "herg": 0.05, "dili": 0.241}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.375135262439866, "aff_pf": -1.9446633259455364, "aff_hs": -0.07165232300758362, "repeats_pf": {"runs": 3, "values": [-1.8775, -1.8908, -2.0656], "mean": -1.9447, "spread": 0.1881}, "repeats_hs": {"runs": 3, "values": [-0.0466, -0.098, -0.0703], "mean": -0.0717, "spread": 0.0514}, "at": 1787430692}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.125, "total_ci95": [81.645, 85.219], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787430506, "scored_at": 1787430692, "rank": null}, {"candidate_id": "ODC-6D86F6", "res_at": 1787327450, "skeleton": "DLISBHSBJWSJHV", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 82.959, "axes": {"activity": 30.0, "binding": 18.77, "selectivity": 18.54, "admet": 4.44, "novelty": 7.33, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.481, "fraction": 1.0}, "binding": {"pIC50": 7.89, "LE": 0.292, "potency_term": 0.964, "efficiency_cap": 0.974}, "selectivity": {"fold": 83.8, "selectivity_term": 0.962, "target_engagement": 0.964}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.193, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.058, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.086}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.480903909821128, "aff_pf": -1.8909835815429688, "aff_hs": 0.03246519466241201, "repeats_pf": {"runs": 3, "values": [-1.9548, -1.8867, -1.8314], "mean": -1.891, "spread": 0.1234}, "repeats_hs": {"runs": 3, "values": [-0.2483, 0.533, -0.1873], "mean": 0.0325, "spread": 0.7813}, "at": 1787327450}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.423, "total_ci95": [79.813, 84.337], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787325707, "scored_at": 1787327450, "rank": null}, {"candidate_id": "ODC-9FCDB1", "res_at": 1787430889, "skeleton": "ZTXSKHUSEBRSJW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········F)CC1", "total": 82.946, "axes": {"activity": 29.61, "binding": 19.02, "selectivity": 19.46, "admet": 3.94, "novelty": 7.2, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 6.377, "fraction": 0.987}, "binding": {"pIC50": 7.92, "LE": 0.293, "potency_term": 0.973, "efficiency_cap": 0.977}, "selectivity": {"fold": 175.9, "selectivity_term": 1.0, "target_engagement": 0.973}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.171, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.761, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 6.376655484555908, "aff_pf": -1.9189141988754272, "aff_hs": 0.32644424835840863, "repeats_pf": {"runs": 3, "values": [-1.8709, -1.9873, -1.8985], "mean": -1.9189, "spread": 0.1164}, "repeats_hs": {"runs": 3, "values": [0.5159, 0.5108, -0.0473], "mean": 0.3264, "spread": 0.5632}, "at": 1787430889}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.512, "total_ci95": [82.2, 84.016], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787430518, "scored_at": 1787430889, "rank": null}, {"candidate_id": "ODC-3FC243", "res_at": 1787585976, "skeleton": "MBWNBRYEDFVSPB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········N)CC1", "total": 82.935, "axes": {"activity": 30.0, "binding": 18.4, "selectivity": 18.62, "admet": 4.69, "novelty": 7.36, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.433, "fraction": 1.0}, "binding": {"pIC50": 7.79, "LE": 0.297, "potency_term": 0.931, "efficiency_cap": 0.988}, "selectivity": {"fold": 309.8, "selectivity_term": 1.0, "target_engagement": 0.931}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.42, "caco2-wang": 0.28, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.231, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.584, "herg": 0.05, "dili": 0.197}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.432973484249459, "aff_pf": -1.7923912207285564, "aff_hs": 0.698683480421702, "repeats_pf": {"runs": 3, "values": [-1.7885, -1.7886, -1.8001], "mean": -1.7924, "spread": 0.0115}, "repeats_hs": {"runs": 3, "values": [0.9159, 0.6337, 0.5465], "mean": 0.6987, "spread": 0.3694}, "at": 1787585976}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.051, "total_ci95": [82.874, 83.056], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583603, "scored_at": 1787585976, "rank": null}, {"candidate_id": "ODC-AD44B2", "res_at": 1787586368, "skeleton": "XKKYYLHNNOWFKR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 82.901, "axes": {"activity": 30.0, "binding": 18.2, "selectivity": 18.46, "admet": 5.2, "novelty": 7.24, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.437, "fraction": 1.0}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.923, "efficiency_cap": 0.986}, "selectivity": {"fold": 273.3, "selectivity_term": 1.0, "target_engagement": 0.923}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.406, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.961, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.05, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.436773162862563, "aff_pf": -1.7697461446126301, "aff_hs": 0.6668582955996195, "repeats_pf": {"runs": 3, "values": [-1.7301, -1.8305, -1.7486], "mean": -1.7697, "spread": 0.1003}, "repeats_hs": {"runs": 3, "values": [0.7047, 0.697, 0.5989], "mean": 0.6669, "spread": 0.1058}, "at": 1787586368}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.396, "total_ci95": [82.285, 83.851], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583618, "scored_at": 1787586368, "rank": null}, {"candidate_id": "ODC-2235BB", "res_at": 1787610693, "skeleton": "GKFQBULSKRLJKC", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 82.787, "axes": {"activity": 30.0, "binding": 18.12, "selectivity": 18.78, "admet": 4.82, "novelty": 7.33, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.553, "fraction": 1.0}, "binding": {"pIC50": 7.82, "LE": 0.289, "potency_term": 0.939, "efficiency_cap": 0.965}, "selectivity": {"fold": 125.3, "selectivity_term": 1.0, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.173, "caco2-wang": 0.495, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.081, "cyp2c9-veith": 0.253, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.8, "herg": 0.05, "dili": 0.164}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.5531622828909875, "aff_pf": -1.8169743220011394, "aff_hs": 0.2808447480201721, "repeats_pf": {"runs": 3, "values": [-1.9194, -1.7931, -1.7384], "mean": -1.817, "spread": 0.181}, "repeats_hs": {"runs": 3, "values": [0.2281, 0.2425, 0.3719], "mean": 0.2808, "spread": 0.1438}, "at": 1787610693}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.649, "total_ci95": [81.807, 84.374], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787609620, "scored_at": 1787610693, "rank": null}, {"candidate_id": "ODC-E46958", "res_at": 1787087239, "skeleton": "SUMUJOSCSOTPKN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 82.785, "axes": {"activity": 29.31, "binding": 20.0, "selectivity": 18.5, "admet": 3.91, "novelty": 6.93, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 6.359, "fraction": 0.977}, "binding": {"pIC50": 8.02, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 70.9, "selectivity_term": 0.925, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.073, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.069, "dili": 0.204}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "2", "pAct_q10": 6.358544824911764, "aff_pf": -2.02445920308431, "aff_hs": -0.1739856352408727, "repeats_pf": {"runs": 3, "values": [-2.0478, -1.9907, -2.0348], "mean": -2.0245, "spread": 0.0571}, "repeats_hs": {"runs": 3, "values": [-0.2448, -0.1788, -0.0984], "mean": -0.174, "spread": 0.1464}, "at": 1787087239}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.377, "total_ci95": [82.077, 83.506], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787083771, "scored_at": 1787087239, "rank": null}, {"candidate_id": "ODC-9A4F2A", "res_at": 1787327042, "skeleton": "CBKQQBYZHJMJOF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········)CCC1", "total": 82.764, "axes": {"activity": 26.7, "binding": 20.0, "selectivity": 20.0, "admet": 4.65, "novelty": 7.53, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.202, "fraction": 0.89}, "binding": {"pIC50": 8.12, "LE": 0.301, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 123.1, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.11, "cyp2c9-veith": 0.329, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.202042519082017, "aff_pf": -2.123948574066162, "aff_hs": -0.03362559154629707, "repeats_pf": {"runs": 3, "values": [-2.1605, -2.0323, -2.179], "mean": -2.1239, "spread": 0.1467}, "repeats_hs": {"runs": 3, "values": [-0.0253, -0.0753, -0.0002], "mean": -0.0336, "spread": 0.075}, "at": 1787327042}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.106, "total_ci95": [82.357, 82.764], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787325667, "scored_at": 1787327042, "rank": null}, {"candidate_id": "ODC-B16A48", "res_at": 1788300059, "skeleton": "NDSAOLMKRFDTBV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-C-long-az-n-C7-heptyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········N)CC1", "total": 82.764, "axes": {"activity": 30.0, "binding": 18.99, "selectivity": 18.08, "admet": 4.49, "novelty": 7.18, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.595, "fraction": 1.0}, "binding": {"pIC50": 7.92, "LE": 0.293, "potency_term": 0.972, "efficiency_cap": 0.977}, "selectivity": {"fold": 72.5, "selectivity_term": 0.93, "target_engagement": 0.972}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.304, "caco2-wang": 0.28, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.14, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.074, "dili": 0.194}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 6.595075771942634, "aff_pf": -1.9152885675430298, "aff_hs": -0.055042676627635956, "repeats_pf": {"runs": 3, "values": [-2.0039, -1.909, -1.8329], "mean": -1.9153, "spread": 0.171}, "repeats_hs": {"runs": 2, "values": [0.0953, -0.2054], "mean": -0.055, "spread": 0.3007}, "at": 1788300059}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.359, "total_ci95": [79.929, 85.013], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271701, "scored_at": 1788300059, "rank": null}, {"candidate_id": "ODC-5C86FB", "res_at": 1787609730, "skeleton": "ZEWJJMMGDINDTL", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C)CC1", "total": 82.741, "axes": {"activity": 30.0, "binding": 18.9, "selectivity": 17.99, "admet": 4.79, "novelty": 6.95, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.486, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.307, "potency_term": 0.945, "efficiency_cap": 1.0}, "selectivity": {"fold": 80.2, "selectivity_term": 0.952, "target_engagement": 0.945}, "admet": {"geometric_mean": 0.32, "per_endpoint": {"solubility-aqsoldb": 0.266, "caco2-wang": 0.498, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.05, "dili": 0.264}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.485787670004636, "aff_pf": -1.834511121114095, "aff_hs": 0.06976040949424107, "repeats_pf": {"runs": 3, "values": [-1.863, -1.8263, -1.8143], "mean": -1.8345, "spread": 0.0487}, "repeats_hs": {"runs": 3, "values": [0.0948, 0.0211, 0.0934], "mean": 0.0698, "spread": 0.0737}, "at": 1787609730}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.325, "total_ci95": [82.151, 83.345], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787609548, "scored_at": 1787609730, "rank": null}, {"candidate_id": "ODC-CA4A42", "res_at": 1787451331, "skeleton": "DBHQPNMRJFHPFH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 82.675, "axes": {"activity": 29.33, "binding": 19.7, "selectivity": 18.48, "admet": 4.11, "novelty": 7.22, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.36, "fraction": 0.978}, "binding": {"pIC50": 8.2, "LE": 0.296, "potency_term": 1.0, "efficiency_cap": 0.985}, "selectivity": {"fold": 70.4, "selectivity_term": 0.924, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.157, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.16, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.73, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.359519422210918, "aff_pf": -2.197819709777832, "aff_hs": -0.35020044445991516, "repeats_pf": {"runs": 3, "values": [-2.1796, -2.1883, -2.2256], "mean": -2.1978, "spread": 0.046}, "repeats_hs": {"runs": 3, "values": [-0.3475, -0.3723, -0.3308], "mean": -0.3502, "spread": 0.0416}, "at": 1787451331}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.208, "total_ci95": [82.359, 83.087], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787451082, "scored_at": 1787451331, "rank": null}, {"candidate_id": "ODC-38A6EB", "res_at": 1787989368, "skeleton": "RPXBZUTWVLVTMV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-28", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 82.627, "axes": {"activity": 29.63, "binding": 18.17, "selectivity": 18.17, "admet": 5.56, "novelty": 7.12, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.378, "fraction": 0.988}, "binding": {"pIC50": 7.73, "LE": 0.302, "potency_term": 0.909, "efficiency_cap": 1.0}, "selectivity": {"fold": 534.8, "selectivity_term": 1.0, "target_engagement": 0.909}, "admet": {"geometric_mean": 0.375, "per_endpoint": {"solubility-aqsoldb": 0.43, "caco2-wang": 0.254, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.516, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.611, "herg": 0.05, "dili": 0.184}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 6.3777101028285585, "aff_pf": -1.7261693477630615, "aff_hs": 1.0020190080006917, "repeats_pf": {"runs": 3, "values": [-1.6943, -1.742, -1.7421], "mean": -1.7262, "spread": 0.0478}, "repeats_hs": {"runs": 3, "values": [0.8092, 1.287, 0.9098], "mean": 1.002, "spread": 0.4777}, "at": 1787989368}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.166, "total_ci95": [82.414, 82.839], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967497, "scored_at": 1787989368, "rank": null}, {"candidate_id": "ODC-C7FFCD", "res_at": 1787416971, "skeleton": "CFPKEFKKVSFLIY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#CCCCC··········)CCC1", "total": 82.604, "axes": {"activity": 30.0, "binding": 19.77, "selectivity": 17.28, "admet": 4.08, "novelty": 7.59, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.487, "fraction": 1.0}, "binding": {"pIC50": 8.01, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.988}, "selectivity": {"fold": 53.4, "selectivity_term": 0.864, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.112, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.141, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.486692892372969, "aff_pf": -2.0085787773132324, "aff_hs": -0.2810266415278117, "repeats_pf": {"runs": 3, "values": [-2.0051, -2.0319, -1.9887], "mean": -2.0086, "spread": 0.0432}, "repeats_hs": {"runs": 3, "values": [-0.2069, -0.3655, -0.2707], "mean": -0.281, "spread": 0.1586}, "at": 1787416971}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.416, "total_ci95": [81.716, 83.312], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787411814, "scored_at": 1787416971, "rank": null}, {"candidate_id": "ODC-6F19A1", "res_at": 1787362002, "skeleton": "PNCNNDCCQUEYQM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········l)CC1", "total": 82.519, "axes": {"activity": 29.19, "binding": 19.26, "selectivity": 19.26, "admet": 4.02, "novelty": 6.71, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.351, "fraction": 0.973}, "binding": {"pIC50": 7.89, "LE": 0.3, "potency_term": 0.963, "efficiency_cap": 1.0}, "selectivity": {"fold": 106.7, "selectivity_term": 1.0, "target_engagement": 0.963}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.479, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.113, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.646, "herg": 0.078, "dili": 0.211}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "3", "pAct_q10": 6.351166161262579, "aff_pf": -1.8895326455434163, "aff_hs": 0.13859795530637106, "repeats_pf": {"runs": 3, "values": [-1.8964, -1.9272, -1.8451], "mean": -1.8895, "spread": 0.0821}, "repeats_hs": {"runs": 3, "values": [0.2204, 0.0558, 0.1395], "mean": 0.1386, "spread": 0.1646}, "at": 1787362002}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.326, "total_ci95": [81.835, 83.065], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787360027, "scored_at": 1787362002, "rank": null}, {"candidate_id": "ODC-F90E03", "res_at": 1787502882, "skeleton": "AEDPXVGLKYTLDX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 82.516, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 17.28, "admet": 4.18, "novelty": 6.98, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.432, "fraction": 1.0}, "binding": {"pIC50": 8.23, "LE": 0.305, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 53.5, "selectivity_term": 0.864, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.111, "caco2-wang": 0.446, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.18, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.706, "herg": 0.05, "dili": 0.174}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.4317608006807, "aff_pf": -2.232206662495931, "aff_hs": -0.5039668480555216, "repeats_pf": {"runs": 3, "values": [-2.2098, -2.2344, -2.2524], "mean": -2.2322, "spread": 0.0426}, "repeats_hs": {"runs": 3, "values": [-0.7078, -0.5119, -0.2922], "mean": -0.504, "spread": 0.4156}, "at": 1787502882}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.95, "total_ci95": [80.477, 84.551], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497656, "scored_at": 1787502882, "rank": null}, {"candidate_id": "ODC-5594DB", "res_at": 1787415996, "skeleton": "RRSDOFGUSKHPKU", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 82.409, "axes": {"activity": 27.78, "binding": 19.13, "selectivity": 19.54, "admet": 5.18, "novelty": 7.27, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.267, "fraction": 0.926}, "binding": {"pIC50": 7.93, "LE": 0.294, "potency_term": 0.977, "efficiency_cap": 0.979}, "selectivity": {"fold": 189.5, "selectivity_term": 1.0, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.552, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.263, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.076, "ld50-zhu": 0.829, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 6.267099279393795, "aff_pf": -1.9316286245981853, "aff_hs": 0.34593822869161767, "repeats_pf": {"runs": 3, "values": [-1.8692, -1.954, -1.9717], "mean": -1.9316, "spread": 0.1026}, "repeats_hs": {"runs": 3, "values": [0.3981, 0.6087, 0.031], "mean": 0.3459, "spread": 0.5776}, "at": 1787415996}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.611, "total_ci95": [80.975, 83.335], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787410866, "scored_at": 1787415996, "rank": null}, {"candidate_id": "ODC-AB0911", "res_at": 1787373289, "skeleton": "NYBQUUAQSZZKEL", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········F)CC1", "total": 82.362, "axes": {"activity": 30.0, "binding": 18.59, "selectivity": 17.99, "admet": 4.77, "novelty": 7.02, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.497, "fraction": 1.0}, "binding": {"pIC50": 7.81, "LE": 0.297, "potency_term": 0.938, "efficiency_cap": 0.991}, "selectivity": {"fold": 82.9, "selectivity_term": 0.959, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.444, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.088, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.746, "herg": 0.05, "dili": 0.503}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.496732605944604, "aff_pf": -1.8137315511703491, "aff_hs": 0.1047950138648351, "repeats_pf": {"runs": 3, "values": [-1.8248, -1.8271, -1.7894], "mean": -1.8137, "spread": 0.0377}, "repeats_hs": {"runs": 3, "values": [0.1675, 0.1239, 0.023], "mean": 0.1048, "spread": 0.1444}, "at": 1787373289}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.401, "total_ci95": [81.577, 82.992], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787365668, "scored_at": 1787373289, "rank": null}, {"candidate_id": "ODC-A63AA9", "res_at": 1787644432, "skeleton": "YPEIOUYZAODFQL", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········3)c1F", "total": 82.332, "axes": {"activity": 30.0, "binding": 19.79, "selectivity": 17.38, "admet": 4.13, "novelty": 7.22, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.478, "fraction": 1.0}, "binding": {"pIC50": 8.02, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.989}, "selectivity": {"fold": 54.8, "selectivity_term": 0.869, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.176, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.571, "herg": 0.05, "dili": 0.091}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.478346643830201, "aff_pf": -2.016708572705587, "aff_hs": -0.2782358129819234, "repeats_pf": {"runs": 3, "values": [-1.9916, -2.035, -2.0235], "mean": -2.0167, "spread": 0.0433}, "repeats_hs": {"runs": 3, "values": [-0.4691, -0.0572, -0.3084], "mean": -0.2782, "spread": 0.4119}, "at": 1787644432}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.028, "total_ci95": [80.471, 84.494], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787640246, "scored_at": 1787644432, "rank": null}, {"candidate_id": "ODC-4E7D31", "res_at": 1787357808, "skeleton": "JALMRVRBNIEGMR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········)CCC1", "total": 82.289, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 16.26, "admet": 4.74, "novelty": 7.21, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.504, "fraction": 1.0}, "binding": {"pIC50": 8.04, "LE": 0.306, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.2, "selectivity_term": 0.813, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.258, "caco2-wang": 0.575, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.693, "herg": 0.05, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.504469338763234, "aff_pf": -2.0393285751342773, "aff_hs": -0.4135591685771942, "repeats_pf": {"runs": 3, "values": [-2.035, -2.0318, -2.0512], "mean": -2.0393, "spread": 0.0195}, "repeats_hs": {"runs": 3, "values": [-0.2277, -0.4451, -0.5679], "mean": -0.4136, "spread": 0.3402}, "at": 1787357808}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.767, "total_ci95": [81.079, 84.147], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353890, "scored_at": 1787357808, "rank": null}, {"candidate_id": "ODC-CBDFF7", "res_at": 1787190126, "skeleton": "XZAWLRXXEJPPIT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 82.207, "axes": {"activity": 27.47, "binding": 20.0, "selectivity": 19.38, "admet": 4.22, "novelty": 6.97, "synthesis": 4.17}, "detail": {"activity": {"pAct_q10": 6.248, "fraction": 0.916}, "binding": {"pIC50": 8.11, "LE": 0.309, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 86.6, "selectivity_term": 0.969, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.281, "per_endpoint": {"solubility-aqsoldb": 0.093, "caco2-wang": 0.451, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.293, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.663, "herg": 0.054, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.248397672865397, "aff_pf": -2.111316442489624, "aff_hs": -0.17361810555060705, "repeats_pf": {"runs": 3, "values": [-2.1145, -2.089, -2.1304], "mean": -2.1113, "spread": 0.0413}, "repeats_hs": {"runs": 3, "values": [0.0309, -0.2981, -0.2536], "mean": -0.1736, "spread": 0.329}, "at": 1787190126}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.645, "total_ci95": [80.973, 82.83], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787187667, "scored_at": 1787190126, "rank": null}, {"candidate_id": "ODC-69EF13", "res_at": 1787308987, "skeleton": "UZWSDBXKEBTVEH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 82.169, "axes": {"activity": 30.0, "binding": 19.06, "selectivity": 17.17, "admet": 4.59, "novelty": 7.39, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.431, "fraction": 1.0}, "binding": {"pIC50": 7.92, "LE": 0.293, "potency_term": 0.975, "efficiency_cap": 0.978}, "selectivity": {"fold": 57.7, "selectivity_term": 0.881, "target_engagement": 0.975}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.516, "hia-hou": 1.0, "bioavailability-ma": 0.702, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.318, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.13}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.430798335417457, "aff_pf": -1.9240281979242961, "aff_hs": -0.1627569297949473, "repeats_pf": {"runs": 3, "values": [-1.9834, -1.908, -1.8808], "mean": -1.924, "spread": 0.1026}, "repeats_hs": {"runs": 3, "values": [-0.2614, -0.1353, -0.0916], "mean": -0.1628, "spread": 0.1698}, "at": 1787308987}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.841, "total_ci95": [80.79, 83.786], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787308146, "scored_at": 1787308987, "rank": null}, {"candidate_id": "ODC-0E4AD7", "res_at": 1787653262, "skeleton": "CYCJFDYRSFSMMH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 82.113, "axes": {"activity": 30.0, "binding": 18.22, "selectivity": 18.85, "admet": 4.26, "novelty": 7.78, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 6.501, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.29, "potency_term": 0.943, "efficiency_cap": 0.966}, "selectivity": {"fold": 101.2, "selectivity_term": 1.0, "target_engagement": 0.943}, "admet": {"geometric_mean": 0.284, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.603, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.098, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.645, "herg": 0.05, "dili": 0.1}}, "novelty": {"max_tanimoto": 0.222, "novelty": 0.778}, "synthesis": {"sa_score": 3.89}}, "run": {"gpu": "3", "pAct_q10": 6.501374836851794, "aff_pf": -1.828226923942566, "aff_hs": 0.17678502202033997, "repeats_pf": {"runs": 3, "values": [-1.8792, -1.852, -1.7535], "mean": -1.8282, "spread": 0.1257}, "repeats_hs": {"runs": 3, "values": [0.3246, -0.0096, 0.2154], "mean": 0.1768, "spread": 0.3342}, "at": 1787653262}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.715, "total_ci95": [80.183, 82.761], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647996, "scored_at": 1787653262, "rank": null}, {"candidate_id": "ODC-BCA5B8", "res_at": 1788296616, "skeleton": "UTBBMHHWLOEJJK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-A-H1-az-g-C7-3Mehexyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········N)CC1", "total": 82.105, "axes": {"activity": 30.0, "binding": 18.41, "selectivity": 18.33, "admet": 4.91, "novelty": 7.21, "synthesis": 3.25}, "detail": {"activity": {"pAct_q10": 6.575, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.95, "efficiency_cap": 0.969}, "selectivity": {"fold": 85.0, "selectivity_term": 0.965, "target_engagement": 0.95}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.314, "caco2-wang": 0.336, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.378, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.617, "herg": 0.05, "dili": 0.263}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.72}}, "run": {"gpu": "0", "pAct_q10": 6.57491259833937, "aff_pf": -1.8498864968617756, "aff_hs": 0.07958722114562988, "repeats_pf": {"runs": 3, "values": [-1.8243, -1.8772, -1.8481], "mean": -1.8499, "spread": 0.0529}, "repeats_hs": {"runs": 3, "values": [0.0892, -0.0888, 0.2384], "mean": 0.0796, "spread": 0.3272}, "at": 1788296616}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.687, "total_ci95": [80.875, 83.047], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271571, "scored_at": 1788296616, "rank": null}, {"candidate_id": "ODC-53D1F6", "res_at": 1787547945, "skeleton": "NPIAYPPDHUJOCN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········C)CC1", "total": 82.088, "axes": {"activity": 30.0, "binding": 19.82, "selectivity": 17.33, "admet": 3.61, "novelty": 7.41, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.408, "fraction": 1.0}, "binding": {"pIC50": 8.03, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.991}, "selectivity": {"fold": 54.1, "selectivity_term": 0.867, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.072, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 0.997, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.408204957400826, "aff_pf": -2.028914531071981, "aff_hs": -0.2956549624602, "repeats_pf": {"runs": 3, "values": [-2.0473, -2.0047, -2.0347], "mean": -2.0289, "spread": 0.0426}, "repeats_hs": {"runs": 3, "values": [-0.0934, -0.4481, -0.3454], "mean": -0.2957, "spread": 0.3547}, "at": 1787547945}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.935, "total_ci95": [80.563, 84.163], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527186, "scored_at": 1787547945, "rank": null}, {"candidate_id": "ODC-F5430E", "res_at": 1787502075, "skeleton": "FRVBKZMKDLCYLG", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 81.948, "axes": {"activity": 30.0, "binding": 19.86, "selectivity": 16.29, "admet": 4.54, "novelty": 7.2, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 6.609, "fraction": 1.0}, "binding": {"pIC50": 8.05, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.993}, "selectivity": {"fold": 42.6, "selectivity_term": 0.815, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.201, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.313, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.067}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.608982332588346, "aff_pf": -2.045429229736328, "aff_hs": -0.41597019632657367, "repeats_pf": {"runs": 3, "values": [-2.0559, -2.0363, -2.0441], "mean": -2.0454, "spread": 0.0195}, "repeats_hs": {"runs": 3, "values": [-0.4785, -0.4127, -0.3568], "mean": -0.416, "spread": 0.1218}, "at": 1787502075}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.272, "total_ci95": [81.46, 82.588], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497016, "scored_at": 1787502075, "rank": null}, {"candidate_id": "ODC-2EEE2E", "res_at": 1787551232, "skeleton": "WGVYGDBMYUKKEC", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C[C@@H]··········F)CC1", "total": 81.875, "axes": {"activity": 28.94, "binding": 18.52, "selectivity": 19.09, "admet": 5.31, "novelty": 7.36, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 6.337, "fraction": 0.965}, "binding": {"pIC50": 7.86, "LE": 0.291, "potency_term": 0.954, "efficiency_cap": 0.97}, "selectivity": {"fold": 142.9, "selectivity_term": 1.0, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.222, "caco2-wang": 0.604, "hia-hou": 1.0, "bioavailability-ma": 0.959, "pgp-broccatelli": 0.38, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.735, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 4.07}}, "run": {"gpu": "3", "pAct_q10": 6.336613884376981, "aff_pf": -1.8629822731018066, "aff_hs": 0.2921158621708552, "repeats_pf": {"runs": 3, "values": [-1.886, -1.904, -1.799], "mean": -1.863, "spread": 0.1049}, "repeats_hs": {"runs": 3, "values": [0.2724, 0.1721, 0.4319], "mean": 0.2921, "spread": 0.2599}, "at": 1787551232}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.392, "total_ci95": [80.887, 82.512], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527309, "scored_at": 1787551232, "rank": null}, {"candidate_id": "ODC-FAEE1C", "res_at": 1787357007, "skeleton": "TYMIXPLIIRILBU", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 81.809, "axes": {"activity": 30.0, "binding": 17.7, "selectivity": 18.46, "admet": 4.67, "novelty": 7.14, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.54, "fraction": 1.0}, "binding": {"pIC50": 7.77, "LE": 0.288, "potency_term": 0.923, "efficiency_cap": 0.959}, "selectivity": {"fold": 263.4, "selectivity_term": 1.0, "target_engagement": 0.923}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.584, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.242, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.53951728290709, "aff_pf": -1.769121567408244, "aff_hs": 0.6514283120632172, "repeats_pf": {"runs": 3, "values": [-1.7395, -1.7844, -1.7835], "mean": -1.7691, "spread": 0.0448}, "repeats_hs": {"runs": 3, "values": [0.6094, 0.4724, 0.8725], "mean": 0.6514, "spread": 0.4001}, "at": 1787357007}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.181, "total_ci95": [81.579, 82.043], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353709, "scored_at": 1787357007, "rank": null}, {"candidate_id": "ODC-7359AF", "res_at": 1787380698, "skeleton": "NTYMHNXKQKZYOP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 81.76, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 16.67, "admet": 4.05, "novelty": 6.95, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.439, "fraction": 1.0}, "binding": {"pIC50": 8.19, "LE": 0.303, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 46.5, "selectivity_term": 0.834, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.442, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.137, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.657, "herg": 0.05, "dili": 0.219}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.439233796887666, "aff_pf": -2.1882994969685874, "aff_hs": -0.521025538444519, "repeats_pf": {"runs": 3, "values": [-2.1767, -2.1918, -2.1964], "mean": -2.1883, "spread": 0.0197}, "repeats_hs": {"runs": 3, "values": [-0.5261, -0.5666, -0.4703], "mean": -0.521, "spread": 0.0963}, "at": 1787380698}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.236, "total_ci95": [81.37, 82.217], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787376086, "scored_at": 1787380698, "rank": null}, {"candidate_id": "ODC-42F66D", "res_at": 1787308797, "skeleton": "JPXCFLVFGJEREX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········F)CC1", "total": 81.596, "axes": {"activity": 29.57, "binding": 18.16, "selectivity": 18.43, "admet": 4.12, "novelty": 7.57, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.374, "fraction": 0.986}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.922, "efficiency_cap": 0.985}, "selectivity": {"fold": 145.0, "selectivity_term": 1.0, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.168, "caco2-wang": 0.599, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.105, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.05, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.231, "novelty": 0.769}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.374149007195398, "aff_pf": -1.7650527556737263, "aff_hs": 0.39623452226320904, "repeats_pf": {"runs": 3, "values": [-1.7982, -1.8581, -1.6388], "mean": -1.7651, "spread": 0.2192}, "repeats_hs": {"runs": 3, "values": [0.4362, 0.4226, 0.3299], "mean": 0.3962, "spread": 0.1062}, "at": 1787308797}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.845, "total_ci95": [79.644, 83.053], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787308128, "scored_at": 1787308797, "rank": null}, {"candidate_id": "ODC-E22D6C", "res_at": 1788300555, "skeleton": "WYXPVQRKXVUXQH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-E01-ethynyl-iC5", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········C)CC1", "total": 81.576, "axes": {"activity": 30.0, "binding": 19.85, "selectivity": 16.11, "admet": 4.59, "novelty": 7.24, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.52, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.304, "potency_term": 0.993, "efficiency_cap": 1.0}, "selectivity": {"fold": 42.0, "selectivity_term": 0.811, "target_engagement": 0.993}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.294, "caco2-wang": 0.538, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.639, "herg": 0.06, "dili": 0.252}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.520037751785346, "aff_pf": -1.9777487913767497, "aff_hs": -0.3548877537250519, "repeats_pf": {"runs": 3, "values": [-1.8934, -2.0871, -1.9527], "mean": -1.9777, "spread": 0.1936}, "repeats_hs": {"runs": 3, "values": [-0.3621, -0.7398, 0.0373], "mean": -0.3549, "spread": 0.7771}, "at": 1788300555}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.915, "total_ci95": [78.064, 85.529], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271997, "scored_at": 1788300555, "rank": null}, {"candidate_id": "ODC-D9C2A0", "res_at": 1787986107, "skeleton": "YHRUVKYVGBTUSC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-21", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········C)CC1", "total": 81.531, "axes": {"activity": 29.08, "binding": 18.67, "selectivity": 18.81, "admet": 4.22, "novelty": 6.88, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.345, "fraction": 0.969}, "binding": {"pIC50": 7.82, "LE": 0.298, "potency_term": 0.941, "efficiency_cap": 0.992}, "selectivity": {"fold": 103.1, "selectivity_term": 1.0, "target_engagement": 0.941}, "admet": {"geometric_mean": 0.29, "per_endpoint": {"solubility-aqsoldb": 0.242, "caco2-wang": 0.492, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.659, "herg": 0.05, "dili": 0.226}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.34475062172656, "aff_pf": -1.8218226432800293, "aff_hs": 0.19131950537363687, "repeats_pf": {"runs": 3, "values": [-1.8954, -1.7646, -1.8055], "mean": -1.8218, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [0.2018, 0.1405, 0.2317], "mean": 0.1913, "spread": 0.0912}, "at": 1787986107}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.601, "total_ci95": [80.231, 82.658], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967475, "scored_at": 1787986107, "rank": null}, {"candidate_id": "ODC-09921B", "res_at": 1787979275, "skeleton": "YNERINMULROINM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-09", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 81.526, "axes": {"activity": 30.0, "binding": 17.36, "selectivity": 17.46, "admet": 5.52, "novelty": 7.14, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.493, "fraction": 1.0}, "binding": {"pIC50": 7.62, "LE": 0.298, "potency_term": 0.873, "efficiency_cap": 0.994}, "selectivity": {"fold": 308.8, "selectivity_term": 1.0, "target_engagement": 0.873}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 0.274, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.583, "cyp2c9-veith": 0.162, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.243}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "0", "pAct_q10": 6.493129770911928, "aff_pf": -1.6189143657684326, "aff_hs": 0.8707655866940817, "repeats_pf": {"runs": 3, "values": [-1.6146, -1.5819, -1.6602], "mean": -1.6189, "spread": 0.0783}, "repeats_hs": {"runs": 3, "values": [0.9595, 0.9805, 0.6723], "mean": 0.8708, "spread": 0.3082}, "at": 1787979275}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.284, "total_ci95": [81.12, 82.171], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967414, "scored_at": 1787979275, "rank": null}, {"candidate_id": "ODC-9CEBED", "res_at": 1787612247, "skeleton": "QGRKJSCRZPQPLX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 81.523, "axes": {"activity": 28.64, "binding": 19.82, "selectivity": 17.84, "admet": 4.13, "novelty": 7.46, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 6.318, "fraction": 0.955}, "binding": {"pIC50": 8.03, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.991}, "selectivity": {"fold": 60.8, "selectivity_term": 0.892, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.117, "caco2-wang": 0.621, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.117, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.783, "herg": 0.05, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.248, "novelty": 0.752}, "synthesis": {"sa_score": 3.43}}, "run": {"gpu": "3", "pAct_q10": 6.318172603015888, "aff_pf": -2.0301287174224854, "aff_hs": -0.24640589455763498, "repeats_pf": {"runs": 3, "values": [-1.9842, -2.0701, -2.0361], "mean": -2.0301, "spread": 0.0858}, "repeats_hs": {"runs": 3, "values": [-0.173, -0.2045, -0.3617], "mean": -0.2464, "spread": 0.1887}, "at": 1787612247}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.645, "total_ci95": [80.067, 82.621], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787611905, "scored_at": 1787612247, "rank": null}, {"candidate_id": "ODC-AF735F", "res_at": 1787644642, "skeleton": "JEBOWFVOZZCJTK", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 81.502, "axes": {"activity": 30.0, "binding": 19.41, "selectivity": 16.21, "admet": 4.73, "novelty": 7.27, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.516, "fraction": 1.0}, "binding": {"pIC50": 7.96, "LE": 0.295, "potency_term": 0.987, "efficiency_cap": 0.983}, "selectivity": {"fold": 43.8, "selectivity_term": 0.821, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.243, "caco2-wang": 0.427, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.098, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.742, "herg": 0.079, "dili": 0.258}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.516009241543134, "aff_pf": -1.9624206225077312, "aff_hs": -0.32082295417785645, "repeats_pf": {"runs": 3, "values": [-2.0195, -1.9163, -1.9514], "mean": -1.9624, "spread": 0.1032}, "repeats_hs": {"runs": 3, "values": [-0.3471, -0.3645, -0.2509], "mean": -0.3208, "spread": 0.1136}, "at": 1787644642}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.642, "total_ci95": [80.299, 82.721], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787640258, "scored_at": 1787644642, "rank": null}, {"candidate_id": "ODC-E6BFC9", "res_at": 1787443744, "skeleton": "WJCBFEJRIILUJY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 81.426, "axes": {"activity": 27.52, "binding": 20.0, "selectivity": 17.85, "admet": 4.79, "novelty": 7.45, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.251, "fraction": 0.917}, "binding": {"pIC50": 8.1, "LE": 0.3, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 60.9, "selectivity_term": 0.892, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.548, "hia-hou": 1.0, "bioavailability-ma": 0.982, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.457, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.761, "herg": 0.09, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.251373842597033, "aff_pf": -2.104245980580648, "aff_hs": -0.31963105499744415, "repeats_pf": {"runs": 3, "values": [-2.0291, -2.1093, -2.1743], "mean": -2.1042, "spread": 0.1452}, "repeats_hs": {"runs": 3, "values": [-0.4384, -0.2287, -0.2918], "mean": -0.3196, "spread": 0.2096}, "at": 1787443744}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.65, "total_ci95": [80.139, 82.602], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787443406, "scored_at": 1787443744, "rank": null}, {"candidate_id": "ODC-0437AF", "res_at": 1787326831, "skeleton": "OFTGQNMSEHANES", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 81.405, "axes": {"activity": 29.33, "binding": 17.99, "selectivity": 18.68, "admet": 4.19, "novelty": 7.3, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.36, "fraction": 0.978}, "binding": {"pIC50": 7.8, "LE": 0.289, "potency_term": 0.934, "efficiency_cap": 0.963}, "selectivity": {"fold": 226.8, "selectivity_term": 1.0, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.198, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.705, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.359734556523385, "aff_pf": -1.8024901151657104, "aff_hs": 0.5531448721885681, "repeats_pf": {"runs": 3, "values": [-1.829, -1.8268, -1.7518], "mean": -1.8025, "spread": 0.0772}, "repeats_hs": {"runs": 3, "values": [0.5572, 0.5121, 0.5901], "mean": 0.5531, "spread": 0.078}, "at": 1787326831}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.308, "total_ci95": [80.627, 81.814], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787325654, "scored_at": 1787326831, "rank": null}, {"candidate_id": "ODC-D0F354", "res_at": 1787327651, "skeleton": "DDGNHHLYFJZILK", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 81.385, "axes": {"activity": 28.13, "binding": 18.58, "selectivity": 18.92, "admet": 4.93, "novelty": 7.15, "synthesis": 3.67}, "detail": {"activity": {"pAct_q10": 6.288, "fraction": 0.938}, "binding": {"pIC50": 7.87, "LE": 0.291, "potency_term": 0.957, "efficiency_cap": 0.971}, "selectivity": {"fold": 95.1, "selectivity_term": 0.989, "target_engagement": 0.957}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.335, "cyp2c9-veith": 0.215, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.811, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.287729491498139, "aff_pf": -1.8695751428604126, "aff_hs": 0.10863398512204488, "repeats_pf": {"runs": 3, "values": [-1.9285, -1.8203, -1.8599], "mean": -1.8696, "spread": 0.1083}, "repeats_hs": {"runs": 3, "values": [-0.0179, 0.2738, 0.07], "mean": 0.1086, "spread": 0.2918}, "at": 1787327651}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.779, "total_ci95": [79.57, 82.806], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787325719, "scored_at": 1787327651, "rank": null}, {"candidate_id": "ODC-49A58B", "res_at": 1787652670, "skeleton": "PGSWXWRQXYBEOO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 81.353, "axes": {"activity": 30.0, "binding": 18.47, "selectivity": 17.23, "admet": 4.68, "novelty": 7.1, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.605, "fraction": 1.0}, "binding": {"pIC50": 7.86, "LE": 0.291, "potency_term": 0.952, "efficiency_cap": 0.97}, "selectivity": {"fold": 64.5, "selectivity_term": 0.905, "target_engagement": 0.952}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.376, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.192, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.333}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.604919057434276, "aff_pf": -1.8568837245305378, "aff_hs": -0.04708439111709595, "repeats_pf": {"runs": 3, "values": [-1.9267, -1.812, -1.8319], "mean": -1.8569, "spread": 0.1147}, "repeats_hs": {"runs": 3, "values": [0.1189, -0.0555, -0.2047], "mean": -0.0471, "spread": 0.3237}, "at": 1787652670}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.957, "total_ci95": [79.413, 83.165], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647977, "scored_at": 1787652670, "rank": null}, {"candidate_id": "ODC-AA71E8", "res_at": 1787940621, "skeleton": "OVJYQPJEOPOUFM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 81.346, "axes": {"activity": 28.72, "binding": 18.22, "selectivity": 18.48, "admet": 5.13, "novelty": 7.16, "synthesis": 3.64}, "detail": {"activity": {"pAct_q10": 6.323, "fraction": 0.957}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.924, "efficiency_cap": 0.986}, "selectivity": {"fold": 150.4, "selectivity_term": 1.0, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.395, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.966, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.612, "herg": 0.05, "dili": 0.088}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 6.32336195826818, "aff_pf": -1.771642009417216, "aff_hs": 0.4054781198501587, "repeats_pf": {"runs": 3, "values": [-1.8074, -1.7531, -1.7544], "mean": -1.7716, "spread": 0.0544}, "repeats_hs": {"runs": 3, "values": [0.4381, 0.5125, 0.2658], "mean": 0.4055, "spread": 0.2467}, "at": 1787940621}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.211, "total_ci95": [81.064, 81.904], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928446, "scored_at": 1787940621, "rank": null}, {"candidate_id": "ODC-5674DE", "res_at": 1787504090, "skeleton": "IQZMNZCZEBSKIJ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 81.341, "axes": {"activity": 25.78, "binding": 19.67, "selectivity": 20.0, "admet": 4.9, "novelty": 7.43, "synthesis": 3.57}, "detail": {"activity": {"pAct_q10": 6.147, "fraction": 0.859}, "binding": {"pIC50": 8.18, "LE": 0.295, "potency_term": 1.0, "efficiency_cap": 0.984}, "selectivity": {"fold": 122.1, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.526, "hia-hou": 1.0, "bioavailability-ma": 0.98, "pgp-broccatelli": 0.121, "cyp2c9-veith": 0.425, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.823, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.46}}, "run": {"gpu": "3", "pAct_q10": 6.1469752423094075, "aff_pf": -2.1838857332865396, "aff_hs": -0.0970616340637207, "repeats_pf": {"runs": 3, "values": [-2.2741, -2.1051, -2.1725], "mean": -2.1839, "spread": 0.169}, "repeats_hs": {"runs": 3, "values": [-0.0911, -0.0557, -0.1443], "mean": -0.0971, "spread": 0.0886}, "at": 1787504090}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.17, "total_ci95": [80.999, 81.733], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497700, "scored_at": 1787504090, "rank": null}, {"candidate_id": "ODC-DBF944", "res_at": 1787356193, "skeleton": "LPJNALDSYJAOIE", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········CCCC1", "total": 81.241, "axes": {"activity": 30.0, "binding": 18.96, "selectivity": 16.83, "admet": 4.4, "novelty": 7.03, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 6.614, "fraction": 1.0}, "binding": {"pIC50": 7.91, "LE": 0.293, "potency_term": 0.971, "efficiency_cap": 0.977}, "selectivity": {"fold": 54.2, "selectivity_term": 0.867, "target_engagement": 0.971}, "admet": {"geometric_mean": 0.293, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.265, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.647, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.61352409305846, "aff_pf": -1.912083109219869, "aff_hs": -0.17844535410404205, "repeats_pf": {"runs": 3, "values": [-1.857, -1.8501, -2.0291], "mean": -1.9121, "spread": 0.179}, "repeats_hs": {"runs": 3, "values": [-0.1507, -0.1817, -0.2029], "mean": -0.1784, "spread": 0.0522}, "at": 1787356193}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.121, "total_ci95": [79.678, 82.883], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353646, "scored_at": 1787356193, "rank": null}, {"candidate_id": "ODC-4F931C", "res_at": 1787272247, "skeleton": "VAPUEIVPEXWHJK", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········)CCC1", "total": 81.231, "axes": {"activity": 30.0, "binding": 19.48, "selectivity": 15.73, "admet": 4.5, "novelty": 7.42, "synthesis": 4.1}, "detail": {"activity": {"pAct_q10": 6.475, "fraction": 1.0}, "binding": {"pIC50": 7.92, "LE": 0.301, "potency_term": 0.974, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.2, "selectivity_term": 0.808, "target_engagement": 0.974}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.208, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.261, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.474565937819554, "aff_pf": -1.9218433300654094, "aff_hs": -0.3067324062188466, "repeats_pf": {"runs": 3, "values": [-1.9503, -1.9578, -1.8575], "mean": -1.9218, "spread": 0.1003}, "repeats_hs": {"runs": 3, "values": [-0.3716, -0.2849, -0.2637], "mean": -0.3067, "spread": 0.1079}, "at": 1787272247}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.621, "total_ci95": [80.161, 82.318], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787270367, "scored_at": 1787272247, "rank": null}, {"candidate_id": "ODC-171730", "res_at": 1787920921, "skeleton": "VCYPHSQCTCUHDZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-10", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········F)CC1", "total": 81.221, "axes": {"activity": 30.0, "binding": 18.14, "selectivity": 17.79, "admet": 4.16, "novelty": 7.39, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.534, "fraction": 1.0}, "binding": {"pIC50": 7.76, "LE": 0.295, "potency_term": 0.921, "efficiency_cap": 0.985}, "selectivity": {"fold": 85.4, "selectivity_term": 0.966, "target_engagement": 0.921}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.184, "caco2-wang": 0.564, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.534126856394035, "aff_pf": -1.763254960378011, "aff_hs": 0.1682928204536438, "repeats_pf": {"runs": 3, "values": [-1.784, -1.7303, -1.7755], "mean": -1.7633, "spread": 0.0537}, "repeats_hs": {"runs": 3, "values": [0.1617, 0.1505, 0.1927], "mean": 0.1683, "spread": 0.0422}, "at": 1787920921}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.342, "total_ci95": [80.417, 81.793], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909232, "scored_at": 1787920921, "rank": null}, {"candidate_id": "ODC-FC632B", "res_at": 1787246596, "skeleton": "HHJMTFBZJNBMOG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 81.178, "axes": {"activity": 30.0, "binding": 18.34, "selectivity": 15.85, "admet": 5.52, "novelty": 7.66, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.439, "fraction": 1.0}, "binding": {"pIC50": 7.84, "LE": 0.29, "potency_term": 0.947, "efficiency_cap": 0.968}, "selectivity": {"fold": 47.2, "selectivity_term": 0.837, "target_engagement": 0.947}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 0.945, "pgp-broccatelli": 0.698, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.825, "herg": 0.05, "dili": 0.216}}, "novelty": {"max_tanimoto": 0.234, "novelty": 0.766}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "3", "pAct_q10": 6.438741468231834, "aff_pf": -1.8419545491536458, "aff_hs": -0.16838841636975607, "repeats_pf": {"runs": 3, "values": [-1.762, -1.9186, -1.8452], "mean": -1.842, "spread": 0.1566}, "repeats_hs": {"runs": 3, "values": [-0.123, -0.2841, -0.0981], "mean": -0.1684, "spread": 0.1859}, "at": 1787246596}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.975, "total_ci95": [79.434, 83.112], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787239430, "scored_at": 1787246596, "rank": null}, {"candidate_id": "ODC-4E70AC", "res_at": 1787355372, "skeleton": "ZHEONUAIBCZYPD", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········C)CC1", "total": 81.151, "axes": {"activity": 30.0, "binding": 19.78, "selectivity": 16.2, "admet": 4.09, "novelty": 7.18, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.491, "fraction": 1.0}, "binding": {"pIC50": 8.01, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.989}, "selectivity": {"fold": 41.7, "selectivity_term": 0.81, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.424, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.349, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.751, "herg": 0.05, "dili": 0.305}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.490923623632239, "aff_pf": -2.0142016410827637, "aff_hs": -0.39371254046758014, "repeats_pf": {"runs": 3, "values": [-2.0419, -2.0226, -1.9781], "mean": -2.0142, "spread": 0.0638}, "repeats_hs": {"runs": 3, "values": [-0.4122, -0.3327, -0.4362], "mean": -0.3937, "spread": 0.1035}, "at": 1787355372}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.363, "total_ci95": [80.458, 81.842], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353617, "scored_at": 1787355372, "rank": null}, {"candidate_id": "ODC-C7A670", "res_at": 1787189732, "skeleton": "RJFMYUMMQZYBGT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 81.139, "axes": {"activity": 27.44, "binding": 19.89, "selectivity": 17.95, "admet": 4.43, "novelty": 7.49, "synthesis": 3.95}, "detail": {"activity": {"pAct_q10": 6.246, "fraction": 0.915}, "binding": {"pIC50": 8.06, "LE": 0.298, "potency_term": 1.0, "efficiency_cap": 0.995}, "selectivity": {"fold": 62.3, "selectivity_term": 0.897, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.188, "caco2-wang": 0.559, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.302, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.058}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.246344553349404, "aff_pf": -2.0580815076828003, "aff_hs": -0.2634958475828171, "repeats_pf": {"runs": 3, "values": [-1.9617, -2.1358, -2.0768], "mean": -2.0581, "spread": 0.1741}, "repeats_hs": {"runs": 3, "values": [-0.235, -0.3239, -0.2316], "mean": -0.2635, "spread": 0.0924}, "at": 1787189732}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.699, "total_ci95": [79.091, 82.211], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787187636, "scored_at": 1787189732, "rank": null}, {"candidate_id": "ODC-A68204", "res_at": 1787939747, "skeleton": "DDKFBJQKRCPNMZ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 81.108, "axes": {"activity": 29.79, "binding": 17.24, "selectivity": 17.74, "admet": 5.45, "novelty": 7.16, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.387, "fraction": 0.993}, "binding": {"pIC50": 7.66, "LE": 0.292, "potency_term": 0.887, "efficiency_cap": 0.972}, "selectivity": {"fold": 173.4, "selectivity_term": 1.0, "target_engagement": 0.887}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.362, "caco2-wang": 0.377, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.877, "cyp2c9-veith": 0.149, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.631, "herg": 0.05, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "0", "pAct_q10": 6.387448483990601, "aff_pf": -1.661021629969279, "aff_hs": 0.5780143141746521, "repeats_pf": {"runs": 3, "values": [-1.7471, -1.6027, -1.6333], "mean": -1.661, "spread": 0.1445}, "repeats_hs": {"runs": 3, "values": [0.4865, 0.6369, 0.6106], "mean": 0.578, "spread": 0.1503}, "at": 1787939747}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.532, "total_ci95": [80.213, 82.439], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928418, "scored_at": 1787939747, "rank": null}, {"candidate_id": "ODC-6995BC", "res_at": 1787355763, "skeleton": "BQWXGYFPALDOJC", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········F)CC1", "total": 80.925, "axes": {"activity": 27.83, "binding": 19.98, "selectivity": 17.82, "admet": 3.89, "novelty": 7.58, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.27, "fraction": 0.928}, "binding": {"pIC50": 8.09, "LE": 0.3, "potency_term": 1.0, "efficiency_cap": 0.999}, "selectivity": {"fold": 60.5, "selectivity_term": 0.891, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.241, "novelty": 0.759}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.2699513967475085, "aff_pf": -2.0938242276509604, "aff_hs": -0.3117604951063792, "repeats_pf": {"runs": 3, "values": [-2.0474, -2.2043, -2.0297], "mean": -2.0938, "spread": 0.1746}, "repeats_hs": {"runs": 3, "values": [-0.447, 0.2584, -0.7467], "mean": -0.3118, "spread": 1.0052}, "at": 1787355763}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.066, "total_ci95": [76.739, 83.141], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353631, "scored_at": 1787355763, "rank": null}, {"candidate_id": "ODC-6B02A7", "res_at": 1787644223, "skeleton": "RJSRVEKYCVPPIE", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C2··········3)c1F", "total": 80.918, "axes": {"activity": 30.0, "binding": 18.31, "selectivity": 16.8, "admet": 4.51, "novelty": 7.47, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.552, "fraction": 1.0}, "binding": {"pIC50": 7.78, "LE": 0.296, "potency_term": 0.927, "efficiency_cap": 0.987}, "selectivity": {"fold": 64.8, "selectivity_term": 0.906, "target_engagement": 0.927}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.174, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.552443280428827, "aff_pf": -1.7816938559214275, "aff_hs": 0.03003600736459096, "repeats_pf": {"runs": 3, "values": [-1.8257, -1.8343, -1.6851], "mean": -1.7817, "spread": 0.1493}, "repeats_hs": {"runs": 3, "values": [0.2023, 0.0488, -0.161], "mean": 0.03, "spread": 0.3634}, "at": 1787644223}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.061, "total_ci95": [79.079, 83.205], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787640237, "scored_at": 1787644223, "rank": null}, {"candidate_id": "ODC-AAC681", "res_at": 1787357208, "skeleton": "YKMUBAONRFVPFP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········l)CC1", "total": 80.887, "axes": {"activity": 28.65, "binding": 18.97, "selectivity": 18.65, "admet": 4.08, "novelty": 6.73, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.319, "fraction": 0.955}, "binding": {"pIC50": 7.85, "LE": 0.307, "potency_term": 0.949, "efficiency_cap": 1.0}, "selectivity": {"fold": 92.5, "selectivity_term": 0.983, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.217, "caco2-wang": 0.456, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.661, "herg": 0.058, "dili": 0.215}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.318715101430931, "aff_pf": -1.8455777168273926, "aff_hs": 0.12042192121346791, "repeats_pf": {"runs": 3, "values": [-1.8114, -1.8392, -1.8862], "mean": -1.8456, "spread": 0.0748}, "repeats_hs": {"runs": 3, "values": [0.0021, 0.0298, 0.3294], "mean": 0.1204, "spread": 0.3272}, "at": 1787357208}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.637, "total_ci95": [79.298, 81.862], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353726, "scored_at": 1787357208, "rank": null}, {"candidate_id": "ODC-90DBBF", "res_at": 1787586954, "skeleton": "AGUIYYZLNRBXCB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········2)CC1", "total": 80.829, "axes": {"activity": 30.0, "binding": 16.91, "selectivity": 17.49, "admet": 5.46, "novelty": 7.03, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.577, "fraction": 1.0}, "binding": {"pIC50": 7.62, "LE": 0.29, "potency_term": 0.874, "efficiency_cap": 0.967}, "selectivity": {"fold": 146.7, "selectivity_term": 1.0, "target_engagement": 0.874}, "admet": {"geometric_mean": 0.364, "per_endpoint": {"solubility-aqsoldb": 0.435, "caco2-wang": 0.246, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.616, "cyp2c9-veith": 0.153, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.6, "herg": 0.05, "dili": 0.272}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.576714522890769, "aff_pf": -1.6229701042175293, "aff_hs": 0.5434111555417379, "repeats_pf": {"runs": 3, "values": [-1.6509, -1.6404, -1.5776], "mean": -1.623, "spread": 0.0733}, "repeats_hs": {"runs": 3, "values": [0.5127, 0.7406, 0.3769], "mean": 0.5434, "spread": 0.3637}, "at": 1787586954}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.298, "total_ci95": [80.135, 81.204], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583640, "scored_at": 1787586954, "rank": null}, {"candidate_id": "ODC-D11051", "res_at": 1787550000, "skeleton": "UYVNMXCVYAFVFO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········CCCC1", "total": 80.779, "axes": {"activity": 30.0, "binding": 18.9, "selectivity": 16.73, "admet": 3.95, "novelty": 7.14, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.676, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.299, "potency_term": 0.949, "efficiency_cap": 0.995}, "selectivity": {"fold": 57.8, "selectivity_term": 0.881, "target_engagement": 0.949}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.107, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.143, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.71, "herg": 0.06, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.675803699607399, "aff_pf": -1.8472965955734253, "aff_hs": -0.08503266175587972, "repeats_pf": {"runs": 3, "values": [-1.8025, -1.9151, -1.8243], "mean": -1.8473, "spread": 0.1126}, "repeats_hs": {"runs": 3, "values": [-0.0815, 0.1028, -0.2764], "mean": -0.085, "spread": 0.3792}, "at": 1787550000}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.14, "total_ci95": [78.685, 82.913], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527260, "scored_at": 1787550000, "rank": null}, {"candidate_id": "ODC-75D78F", "res_at": 1787502679, "skeleton": "PAKAZZCEZMMXHR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 80.76, "axes": {"activity": 29.72, "binding": 17.86, "selectivity": 18.58, "admet": 3.65, "novelty": 7.11, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.383, "fraction": 0.991}, "binding": {"pIC50": 7.79, "LE": 0.288, "potency_term": 0.929, "efficiency_cap": 0.961}, "selectivity": {"fold": 206.8, "selectivity_term": 1.0, "target_engagement": 0.929}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.582, "hia-hou": 1.0, "bioavailability-ma": 0.907, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.792, "herg": 0.091, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.382916125868325, "aff_pf": -1.787402629852295, "aff_hs": 0.5282336870829264, "repeats_pf": {"runs": 3, "values": [-1.7769, -1.7795, -1.8058], "mean": -1.7874, "spread": 0.029}, "repeats_hs": {"runs": 3, "values": [0.6337, 0.5344, 0.4166], "mean": 0.5282, "spread": 0.2171}, "at": 1787502679}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.116, "total_ci95": [80.599, 81.043], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497282, "scored_at": 1787502679, "rank": null}, {"candidate_id": "ODC-DBC0AA", "res_at": 1787994388, "skeleton": "JCWIZNCGKSIVPS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150V2-02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 80.685, "axes": {"activity": 29.52, "binding": 16.98, "selectivity": 17.54, "admet": 5.28, "novelty": 7.54, "synthesis": 3.83}, "detail": {"activity": {"pAct_q10": 6.371, "fraction": 0.984}, "binding": {"pIC50": 7.63, "LE": 0.29, "potency_term": 0.877, "efficiency_cap": 0.968}, "selectivity": {"fold": 178.9, "selectivity_term": 1.0, "target_engagement": 0.877}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.387, "caco2-wang": 0.349, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.568, "cyp2c9-veith": 0.217, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.571, "herg": 0.05, "dili": 0.109}}, "novelty": {"max_tanimoto": 0.234, "novelty": 0.766}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.371447080389901, "aff_pf": -1.6308507124582927, "aff_hs": 0.6216540336608887, "repeats_pf": {"runs": 3, "values": [-1.5522, -1.6301, -1.7103], "mean": -1.6309, "spread": 0.1581}, "repeats_hs": {"runs": 3, "values": [0.7736, 0.5845, 0.5068], "mean": 0.6217, "spread": 0.2668}, "at": 1787994388}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.548, "total_ci95": [79.483, 81.496], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967518, "scored_at": 1787994388, "rank": null}, {"candidate_id": "ODC-C657AD", "res_at": 1787247767, "skeleton": "BGSRUVVFTYOHHS", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)CC1", "total": 80.68, "axes": {"activity": 30.0, "binding": 18.85, "selectivity": 15.71, "admet": 4.67, "novelty": 7.45, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 6.631, "fraction": 1.0}, "binding": {"pIC50": 7.84, "LE": 0.298, "potency_term": 0.947, "efficiency_cap": 0.995}, "selectivity": {"fold": 45.5, "selectivity_term": 0.829, "target_engagement": 0.947}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.15, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.102, "cyp2c9-veith": 0.221, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.765, "herg": 0.05, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.630520216437344, "aff_pf": -1.8422557910283406, "aff_hs": -0.18420023719469705, "repeats_pf": {"runs": 3, "values": [-1.7595, -1.8738, -1.8935], "mean": -1.8423, "spread": 0.134}, "repeats_hs": {"runs": 3, "values": [0.1847, -0.4515, -0.2858], "mean": -0.1842, "spread": 0.6362}, "at": 1787247767}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.701, "total_ci95": [77.637, 83.92], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787239448, "scored_at": 1787247767, "rank": null}, {"candidate_id": "ODC-BB68D7", "res_at": 1788297836, "skeleton": "VDADMDPXUNHIIL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-A-H1-az-g-C6-33diMe", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········N)CC1", "total": 80.661, "axes": {"activity": 30.0, "binding": 16.67, "selectivity": 17.31, "admet": 5.69, "novelty": 7.14, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.469, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.865, "efficiency_cap": 0.964}, "selectivity": {"fold": 123.4, "selectivity_term": 1.0, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.379, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.375, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.335, "cyp2c9-veith": 0.268, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.288}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.468840600033222, "aff_pf": -1.595849831899007, "aff_hs": 0.4955923557281494, "repeats_pf": {"runs": 3, "values": [-1.5879, -1.5216, -1.6781], "mean": -1.5958, "spread": 0.1565}, "repeats_hs": {"runs": 3, "values": [0.344, 0.4311, 0.7117], "mean": 0.4956, "spread": 0.3677}, "at": 1788297836}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.615, "total_ci95": [79.406, 81.924], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271596, "scored_at": 1788297836, "rank": null}, {"candidate_id": "ODC-F805BC", "res_at": 1787549384, "skeleton": "ZAINAPDJDGTKLS", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········)CCC1", "total": 80.639, "axes": {"activity": 28.11, "binding": 19.48, "selectivity": 16.9, "admet": 5.1, "novelty": 7.28, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.286, "fraction": 0.937}, "binding": {"pIC50": 7.97, "LE": 0.295, "potency_term": 0.99, "efficiency_cap": 0.984}, "selectivity": {"fold": 50.9, "selectivity_term": 0.854, "target_engagement": 0.99}, "admet": {"geometric_mean": 0.349, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.199, "cyp2c9-veith": 0.501, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.286404743259059, "aff_pf": -1.9704258441925049, "aff_hs": -0.2633725603421529, "repeats_pf": {"runs": 3, "values": [-1.9769, -1.9539, -1.9805], "mean": -1.9704, "spread": 0.0265}, "repeats_hs": {"runs": 3, "values": [-0.2911, -0.3233, -0.1758], "mean": -0.2634, "spread": 0.1475}, "at": 1787549384}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.402, "total_ci95": [79.87, 81.412], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527237, "scored_at": 1787549384, "rank": null}, {"candidate_id": "ODC-C176F7", "res_at": 1787187889, "skeleton": "QNTJCHFSRKAGMU", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 80.576, "axes": {"activity": 29.78, "binding": 19.38, "selectivity": 15.55, "admet": 4.5, "novelty": 7.22, "synthesis": 4.15}, "detail": {"activity": {"pAct_q10": 6.387, "fraction": 0.993}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.3, "selectivity_term": 0.803, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 0.965, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.072, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 6.387015692297278, "aff_pf": -1.9063482681910198, "aff_hs": -0.30099629362424213, "repeats_pf": {"runs": 3, "values": [-1.8494, -1.9505, -1.9192], "mean": -1.9063, "spread": 0.101}, "repeats_hs": {"runs": 3, "values": [-0.3989, -0.3559, -0.1482], "mean": -0.301, "spread": 0.2507}, "at": 1787187889}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.803, "total_ci95": [79.023, 82.131], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787184155, "scored_at": 1787187889, "rank": null}, {"candidate_id": "ODC-103522", "res_at": 1787938374, "skeleton": "ZWRDFXUQCOXWEN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-X01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········l)CC1", "total": 80.467, "axes": {"activity": 26.85, "binding": 19.38, "selectivity": 19.38, "admet": 3.88, "novelty": 7.29, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.211, "fraction": 0.895}, "binding": {"pIC50": 7.91, "LE": 0.301, "potency_term": 0.969, "efficiency_cap": 1.0}, "selectivity": {"fold": 124.4, "selectivity_term": 1.0, "target_engagement": 0.969}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.617, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.079}}, "novelty": {"max_tanimoto": 0.248, "novelty": 0.752}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 6.21119174495759, "aff_pf": -1.906794587771098, "aff_hs": 0.18790260950724283, "repeats_pf": {"runs": 3, "values": [-1.8976, -1.9275, -1.8953], "mean": -1.9068, "spread": 0.0321}, "repeats_hs": {"runs": 3, "values": [0.4909, -0.0267, 0.0995], "mean": 0.1879, "spread": 0.5176}, "at": 1787938374}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.346, "total_ci95": [79.393, 80.849], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787927622, "scored_at": 1787938374, "rank": null}, {"candidate_id": "ODC-5B5CB4", "res_at": 1787920193, "skeleton": "RXXWWPVHWOSYKT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-07", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 80.331, "axes": {"activity": 30.0, "binding": 18.45, "selectivity": 15.76, "admet": 5.03, "novelty": 7.24, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.488, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.951, "efficiency_cap": 0.969}, "selectivity": {"fold": 45.3, "selectivity_term": 0.828, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.218, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.375, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.823, "herg": 0.05, "dili": 0.161}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.4879955968439065, "aff_pf": -1.8543003400166829, "aff_hs": -0.19778441389401755, "repeats_pf": {"runs": 3, "values": [-1.7441, -1.8803, -1.9384], "mean": -1.8543, "spread": 0.1943}, "repeats_hs": {"runs": 3, "values": [-0.1127, -1.0323, 0.5516], "mean": -0.1978, "spread": 1.5839}, "at": 1787920193}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 3.459, "total_ci95": [72.924, 84.604], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909208, "scored_at": 1787920193, "rank": null}, {"candidate_id": "ODC-9739BC", "res_at": 1787921122, "skeleton": "LBISGRWYIAGFKW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-12", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 80.312, "axes": {"activity": 30.0, "binding": 16.68, "selectivity": 17.19, "admet": 5.4, "novelty": 7.29, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.599, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.866, "efficiency_cap": 0.964}, "selectivity": {"fold": 96.8, "selectivity_term": 0.993, "target_engagement": 0.866}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.221, "caco2-wang": 0.512, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.237, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.785, "herg": 0.05, "dili": 0.168}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.5986190695625035, "aff_pf": -1.5968939860661824, "aff_hs": 0.3891784946123759, "repeats_pf": {"runs": 3, "values": [-1.6075, -1.6248, -1.5583], "mean": -1.5969, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [0.3424, 0.3232, 0.5019], "mean": 0.3892, "spread": 0.1787}, "at": 1787921122}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.421, "total_ci95": [79.272, 80.86], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909243, "scored_at": 1787921122, "rank": null}, {"candidate_id": "ODC-12F1E3", "res_at": 1787354982, "skeleton": "GVHSCSBNMYUTIT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 80.216, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 15.36, "admet": 3.85, "novelty": 6.92, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.402, "fraction": 1.0}, "binding": {"pIC50": 8.15, "LE": 0.302, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 34.4, "selectivity_term": 0.768, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.08, "caco2-wang": 0.443, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.705, "herg": 0.05, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.401869721007321, "aff_pf": -2.14717173576355, "aff_hs": -0.6111811796824137, "repeats_pf": {"runs": 3, "values": [-2.1165, -2.1887, -2.1363], "mean": -2.1472, "spread": 0.0722}, "repeats_hs": {"runs": 3, "values": [-0.5793, -0.7476, -0.5066], "mean": -0.6112, "spread": 0.241}, "at": 1787354982}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.653, "total_ci95": [78.918, 81.262], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353600, "scored_at": 1787354982, "rank": null}, {"candidate_id": "ODC-174096", "res_at": 1787983144, "skeleton": "VTFWIILGMCPMHB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-15", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········N)CC1", "total": 80.186, "axes": {"activity": 29.53, "binding": 16.82, "selectivity": 17.05, "admet": 5.46, "novelty": 7.51, "synthesis": 3.82}, "detail": {"activity": {"pAct_q10": 6.372, "fraction": 0.984}, "binding": {"pIC50": 7.56, "LE": 0.296, "potency_term": 0.853, "efficiency_cap": 0.986}, "selectivity": {"fold": 204.0, "selectivity_term": 1.0, "target_engagement": 0.853}, "admet": {"geometric_mean": 0.37, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.341, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.21, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.556, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 6.371575833533136, "aff_pf": -1.5579376618067424, "aff_hs": 0.7517840067545573, "repeats_pf": {"runs": 3, "values": [-1.5433, -1.583, -1.5475], "mean": -1.5579, "spread": 0.0396}, "repeats_hs": {"runs": 3, "values": [0.8542, 0.699, 0.7021], "mean": 0.7518, "spread": 0.1552}, "at": 1787983144}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.164, "total_ci95": [79.96, 80.575], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967446, "scored_at": 1787983144, "rank": null}, {"candidate_id": "ODC-4F7444", "res_at": 1787550411, "skeleton": "QIYNQMXGKAXARQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········CCCC1", "total": 80.14, "axes": {"activity": 30.0, "binding": 17.79, "selectivity": 17.22, "admet": 4.05, "novelty": 7.05, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.569, "fraction": 1.0}, "binding": {"pIC50": 7.78, "LE": 0.288, "potency_term": 0.926, "efficiency_cap": 0.96}, "selectivity": {"fold": 72.2, "selectivity_term": 0.929, "target_engagement": 0.926}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.171, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.5690887431359535, "aff_pf": -1.7793952624003093, "aff_hs": 0.07893922924995422, "repeats_pf": {"runs": 3, "values": [-1.7778, -1.7812, -1.7792], "mean": -1.7794, "spread": 0.0034}, "repeats_hs": {"runs": 3, "values": [0.0081, 0.1975, 0.0312], "mean": 0.0789, "spread": 0.1894}, "at": 1787550411}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.44, "total_ci95": [79.495, 81.239], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527280, "scored_at": 1787550411, "rank": null}, {"candidate_id": "ODC-7AADBC", "res_at": 1787357615, "skeleton": "HAXQSCFAUZNVOM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 80.084, "axes": {"activity": 30.0, "binding": 19.54, "selectivity": 14.78, "admet": 4.59, "novelty": 7.13, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.498, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.295, "potency_term": 0.992, "efficiency_cap": 0.985}, "selectivity": {"fold": 30.8, "selectivity_term": 0.745, "target_engagement": 0.992}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.397, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.075}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.49787596905248, "aff_pf": -1.9773524204889934, "aff_hs": -0.4882909258206685, "repeats_pf": {"runs": 3, "values": [-2.0595, -1.9821, -1.8904], "mean": -1.9774, "spread": 0.1691}, "repeats_hs": {"runs": 3, "values": [-0.5436, -0.8358, -0.0855], "mean": -0.4883, "spread": 0.7503}, "at": 1787357615}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.992, "total_ci95": [76.635, 83.87], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353882, "scored_at": 1787357615, "rank": null}, {"candidate_id": "ODC-651EF1", "res_at": 1788298423, "skeleton": "FEYHITHCRNYFPY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-A-H1-az-u-C6-4Mepentenyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CC(C)··········N)CC1", "total": 79.816, "axes": {"activity": 30.0, "binding": 17.07, "selectivity": 17.16, "admet": 5.3, "novelty": 7.24, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 6.467, "fraction": 1.0}, "binding": {"pIC50": 7.64, "LE": 0.291, "potency_term": 0.881, "efficiency_cap": 0.969}, "selectivity": {"fold": 88.9, "selectivity_term": 0.975, "target_engagement": 0.881}, "admet": {"geometric_mean": 0.354, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.354, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.722, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.88}}, "run": {"gpu": "0", "pAct_q10": 6.466904770877598, "aff_pf": -1.6417158047358196, "aff_hs": 0.30742552876472473, "repeats_pf": {"runs": 3, "values": [-1.6543, -1.5591, -1.7118], "mean": -1.6417, "spread": 0.1527}, "repeats_hs": {"runs": 3, "values": [0.2609, 0.4134, 0.2479], "mean": 0.3074, "spread": 0.1655}, "at": 1788298423}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.874, "total_ci95": [77.862, 81.049], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271607, "scored_at": 1788298423, "rank": null}, {"candidate_id": "ODC-3D1657", "res_at": 1787036928, "skeleton": "QVXOAOFFTMONDC", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 79.815, "axes": {"activity": 30.0, "binding": 17.54, "selectivity": 16.26, "admet": 4.65, "novelty": 7.21, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.498, "fraction": 1.0}, "binding": {"pIC50": 7.64, "LE": 0.299, "potency_term": 0.88, "efficiency_cap": 0.997}, "selectivity": {"fold": 70.4, "selectivity_term": 0.924, "target_engagement": 0.88}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.248, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 0.973, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.351, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.684, "herg": 0.052, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.498247030790628, "aff_pf": -1.6391818126042683, "aff_hs": 0.20856735358635584, "repeats_pf": {"runs": 3, "values": [-1.5356, -1.5764, -1.8055], "mean": -1.6392, "spread": 0.2699}, "repeats_hs": {"runs": 3, "values": [0.0893, 0.3392, 0.1972], "mean": 0.2086, "spread": 0.25}, "at": 1787036928}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.693, "total_ci95": [76.991, 83.429], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787033660, "scored_at": 1787036928, "rank": null}, {"candidate_id": "ODC-00C83A", "res_at": 1787577156, "skeleton": "FWRHDLIYQJZSFA", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 79.807, "axes": {"activity": 30.0, "binding": 16.75, "selectivity": 17.33, "admet": 4.85, "novelty": 7.03, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.688, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.868, "efficiency_cap": 0.965}, "selectivity": {"fold": 99.2, "selectivity_term": 0.998, "target_engagement": 0.868}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.237, "caco2-wang": 0.491, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.757, "herg": 0.05, "dili": 0.137}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.688257378943072, "aff_pf": -1.6047732830047607, "aff_hs": 0.39157957832018536, "repeats_pf": {"runs": 3, "values": [-1.5936, -1.6453, -1.5753], "mean": -1.6048, "spread": 0.07}, "repeats_hs": {"runs": 3, "values": [0.3555, 0.356, 0.4632], "mean": 0.3916, "spread": 0.1077}, "at": 1787577156}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.362, "total_ci95": [78.94, 80.46], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787576753, "scored_at": 1787577156, "rank": null}, {"candidate_id": "ODC-F4F580", "res_at": 1787435440, "skeleton": "KGEJQUDOOBBFAG", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 79.797, "axes": {"activity": 29.94, "binding": 19.03, "selectivity": 15.76, "admet": 3.79, "novelty": 7.37, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.396, "fraction": 0.998}, "binding": {"pIC50": 7.86, "LE": 0.299, "potency_term": 0.954, "efficiency_cap": 0.997}, "selectivity": {"fold": 44.9, "selectivity_term": 0.826, "target_engagement": 0.954}, "admet": {"geometric_mean": 0.253, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.71, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.396323933997129, "aff_pf": -1.8623976310094197, "aff_hs": -0.21063290536403656, "repeats_pf": {"runs": 3, "values": [-1.8465, -1.8416, -1.8991], "mean": -1.8624, "spread": 0.0574}, "repeats_hs": {"runs": 3, "values": [-0.1715, -0.3136, -0.1468], "mean": -0.2106, "spread": 0.1668}, "at": 1787435440}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.547, "total_ci95": [78.809, 80.834], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787434877, "scored_at": 1787435440, "rank": null}, {"candidate_id": "ODC-C24DAE", "res_at": 1787357420, "skeleton": "PQHRNICUTUIKPN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 79.768, "axes": {"activity": 30.0, "binding": 18.53, "selectivity": 15.31, "admet": 5.08, "novelty": 6.78, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.642, "fraction": 1.0}, "binding": {"pIC50": 7.81, "LE": 0.297, "potency_term": 0.935, "efficiency_cap": 0.99}, "selectivity": {"fold": 43.3, "selectivity_term": 0.818, "target_engagement": 0.935}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.332, "caco2-wang": 0.431, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.202, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.056, "dili": 0.314}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.642472633332042, "aff_pf": -1.806458314259847, "aff_hs": -0.16988233228524527, "repeats_pf": {"runs": 3, "values": [-1.9439, -1.942, -1.5335], "mean": -1.8065, "spread": 0.4104}, "repeats_hs": {"runs": 3, "values": [-0.075, -0.0162, -0.4184], "mean": -0.1699, "spread": 0.4023}, "at": 1787357420}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.588, "total_ci95": [74.395, 84.252], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353818, "scored_at": 1787357420, "rank": null}, {"candidate_id": "ODC-C19E35", "res_at": 1788301166, "skeleton": "SSVHQEJSBDXTLJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-E02-ethynyl-nC5", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········C)CC1", "total": 79.729, "axes": {"activity": 30.0, "binding": 17.85, "selectivity": 16.36, "admet": 4.38, "novelty": 7.27, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.637, "fraction": 1.0}, "binding": {"pIC50": 7.73, "LE": 0.294, "potency_term": 0.91, "efficiency_cap": 0.981}, "selectivity": {"fold": 62.7, "selectivity_term": 0.899, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.227}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.637057520107719, "aff_pf": -1.730512261390686, "aff_hs": 0.0666453739007314, "repeats_pf": {"runs": 3, "values": [-1.6584, -1.7455, -1.7876], "mean": -1.7305, "spread": 0.1292}, "repeats_hs": {"runs": 3, "values": [-0.0031, 0.0513, 0.1517], "mean": 0.0666, "spread": 0.1547}, "at": 1788301166}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.754, "total_ci95": [78.243, 81.244], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788272009, "scored_at": 1788301166, "rank": null}, {"candidate_id": "ODC-21067F", "res_at": 1787283442, "skeleton": "BCJBWBAZSXQDLA", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········F)CC1", "total": 79.728, "axes": {"activity": 30.0, "binding": 17.43, "selectivity": 16.83, "admet": 4.18, "novelty": 7.5, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.477, "fraction": 1.0}, "binding": {"pIC50": 7.74, "LE": 0.287, "potency_term": 0.913, "efficiency_cap": 0.955}, "selectivity": {"fold": 69.9, "selectivity_term": 0.922, "target_engagement": 0.913}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.06, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.082, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.209, "ld50-zhu": 0.755, "herg": 0.05, "dili": 0.07}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 6.4766203922335945, "aff_pf": -1.7382191022237141, "aff_hs": 0.10608378301064174, "repeats_pf": {"runs": 3, "values": [-1.7136, -1.7302, -1.7709], "mean": -1.7382, "spread": 0.0572}, "repeats_hs": {"runs": 3, "values": [0.0347, 0.1321, 0.1515], "mean": 0.1061, "spread": 0.1168}, "at": 1787283442}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.419, "total_ci95": [78.946, 80.544], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787280968, "scored_at": 1787283442, "rank": null}, {"candidate_id": "ODC-4DCA27", "res_at": 1787985560, "skeleton": "HFPZNMBQRCALKB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-20", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········F)CC1", "total": 79.678, "axes": {"activity": 30.0, "binding": 17.7, "selectivity": 16.39, "admet": 4.27, "novelty": 7.33, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.5, "fraction": 1.0}, "binding": {"pIC50": 7.66, "LE": 0.3, "potency_term": 0.886, "efficiency_cap": 0.999}, "selectivity": {"fold": 70.9, "selectivity_term": 0.925, "target_engagement": 0.886}, "admet": {"geometric_mean": 0.285, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.49993167921562, "aff_pf": -1.65781565507253, "aff_hs": 0.19273556768894196, "repeats_pf": {"runs": 3, "values": [-1.7187, -1.5709, -1.6839], "mean": -1.6578, "spread": 0.1478}, "repeats_hs": {"runs": 3, "values": [0.314, -0.03, 0.2942], "mean": 0.1927, "spread": 0.344}, "at": 1787985560}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.104, "total_ci95": [77.567, 81.829], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967468, "scored_at": 1787985560, "rank": null}, {"candidate_id": "ODC-ECB506", "res_at": 1787123433, "skeleton": "CCRPSFLCIHFFRZ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 79.676, "axes": {"activity": 24.87, "binding": 20.0, "selectivity": 20.0, "admet": 4.38, "novelty": 7.05, "synthesis": 3.37}, "detail": {"activity": {"pAct_q10": 6.092, "fraction": 0.829}, "binding": {"pIC50": 8.1, "LE": 0.308, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 127.9, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.444, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.422, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.05, "dili": 0.169}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 6.092389150685021, "aff_pf": -2.101803700129191, "aff_hs": 0.005044857660929362, "repeats_pf": {"runs": 3, "values": [-2.1196, -2.1269, -2.0589], "mean": -2.1018, "spread": 0.068}, "repeats_hs": {"runs": 3, "values": [-0.0304, 0.1853, -0.1398], "mean": 0.005, "spread": 0.3252}, "at": 1787123433}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.065, "total_ci95": [79.434, 79.676], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787107017, "scored_at": 1787123433, "rank": null}, {"candidate_id": "ODC-8BAEED", "res_at": 1787503894, "skeleton": "QUPDYAHWQSOALR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········C)CC1", "total": 79.632, "axes": {"activity": 30.0, "binding": 19.75, "selectivity": 14.12, "admet": 4.57, "novelty": 7.27, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 6.403, "fraction": 1.0}, "binding": {"pIC50": 8.0, "LE": 0.296, "potency_term": 1.0, "efficiency_cap": 0.988}, "selectivity": {"fold": 25.8, "selectivity_term": 0.706, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.25, "caco2-wang": 0.459, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.071, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.074, "dili": 0.258}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.403049427534095, "aff_pf": -2.000978668530782, "aff_hs": -0.5887571573257446, "repeats_pf": {"runs": 3, "values": [-2.0084, -1.9999, -1.9946], "mean": -2.001, "spread": 0.0138}, "repeats_hs": {"runs": 3, "values": [-0.5663, -0.604, -0.5959], "mean": -0.5888, "spread": 0.0377}, "at": 1787503894}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.108, "total_ci95": [79.409, 79.816], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497694, "scored_at": 1787503894, "rank": null}, {"candidate_id": "ODC-4EAFBE", "res_at": 1787610311, "skeleton": "OOHNWNZEWRRBBJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········2)CC1", "total": 79.587, "axes": {"activity": 30.0, "binding": 17.55, "selectivity": 16.59, "admet": 4.44, "novelty": 7.07, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.576, "fraction": 1.0}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.917, "efficiency_cap": 0.957}, "selectivity": {"fold": 64.4, "selectivity_term": 0.904, "target_engagement": 0.917}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.353, "caco2-wang": 0.234, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.574, "herg": 0.05, "dili": 0.235}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.576365813940375, "aff_pf": -1.75160018603007, "aff_hs": 0.057284181316693626, "repeats_pf": {"runs": 3, "values": [-1.7498, -1.7509, -1.7541], "mean": -1.7516, "spread": 0.0043}, "repeats_hs": {"runs": 3, "values": [0.106, -0.4068, 0.4727], "mean": 0.0573, "spread": 0.8795}, "at": 1787610311}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.714, "total_ci95": [75.338, 81.356], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787609593, "scored_at": 1787610311, "rank": null}, {"candidate_id": "ODC-F171B8", "res_at": 1787355175, "skeleton": "KPUAOUIEIRCBPW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 79.58, "axes": {"activity": 30.0, "binding": 18.43, "selectivity": 15.48, "admet": 4.45, "novelty": 7.14, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.561, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.951, "efficiency_cap": 0.969}, "selectivity": {"fold": 42.5, "selectivity_term": 0.814, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.583, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.686, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.560757121982711, "aff_pf": -1.852097511291504, "aff_hs": -0.22331971675157547, "repeats_pf": {"runs": 3, "values": [-1.7989, -1.8931, -1.8643], "mean": -1.8521, "spread": 0.0943}, "repeats_hs": {"runs": 3, "values": [-0.3223, -0.2267, -0.121], "mean": -0.2233, "spread": 0.2012}, "at": 1787355175}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.663, "total_ci95": [78.031, 80.9], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353606, "scored_at": 1787355175, "rank": null}, {"candidate_id": "ODC-258F54", "res_at": 1787490221, "skeleton": "JVAUREMXRWBPCN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········l)CC1", "total": 79.561, "axes": {"activity": 28.42, "binding": 19.81, "selectivity": 15.96, "admet": 4.46, "novelty": 6.83, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.305, "fraction": 0.947}, "binding": {"pIC50": 7.97, "LE": 0.303, "potency_term": 0.991, "efficiency_cap": 1.0}, "selectivity": {"fold": 40.9, "selectivity_term": 0.806, "target_engagement": 0.991}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.172, "caco2-wang": 0.476, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.111, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.762, "herg": 0.05, "dili": 0.268}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.305202391230597, "aff_pf": -1.9717765251795452, "aff_hs": -0.36014677584171295, "repeats_pf": {"runs": 3, "values": [-1.9759, -1.9582, -1.9812], "mean": -1.9718, "spread": 0.0229}, "repeats_hs": {"runs": 3, "values": [-0.2136, -0.4501, -0.4168], "mean": -0.3601, "spread": 0.2365}, "at": 1787490221}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.601, "total_ci95": [78.621, 80.801], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787489353, "scored_at": 1787490221, "rank": null}, {"candidate_id": "ODC-96250D", "res_at": 1787651688, "skeleton": "FNMIKCZWSFYOFX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 79.475, "axes": {"activity": 30.0, "binding": 18.19, "selectivity": 16.26, "admet": 4.02, "novelty": 7.14, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.635, "fraction": 1.0}, "binding": {"pIC50": 7.82, "LE": 0.29, "potency_term": 0.942, "efficiency_cap": 0.966}, "selectivity": {"fold": 53.3, "selectivity_term": 0.863, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.082, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.333, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.635320035276433, "aff_pf": -1.8249733845392864, "aff_hs": -0.09850640098253886, "repeats_pf": {"runs": 3, "values": [-1.8048, -1.8304, -1.8397], "mean": -1.825, "spread": 0.035}, "repeats_hs": {"runs": 3, "values": [0.0851, -0.3136, -0.067], "mean": -0.0985, "spread": 0.3988}, "at": 1787651688}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.88, "total_ci95": [77.522, 81.204], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647936, "scored_at": 1787651688, "rank": null}, {"candidate_id": "ODC-4B77EF", "res_at": 1787973301, "skeleton": "FKDFOSWORMIAGD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 79.448, "axes": {"activity": 30.0, "binding": 17.87, "selectivity": 15.49, "admet": 4.73, "novelty": 7.18, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 6.542, "fraction": 1.0}, "binding": {"pIC50": 7.73, "LE": 0.294, "potency_term": 0.911, "efficiency_cap": 0.981}, "selectivity": {"fold": 50.2, "selectivity_term": 0.85, "target_engagement": 0.911}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.238, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.697, "herg": 0.111, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.07}}, "run": {"gpu": "0", "pAct_q10": 6.542237731906126, "aff_pf": -1.7322043975194295, "aff_hs": -0.031689090033372246, "repeats_pf": {"runs": 3, "values": [-1.7631, -1.7381, -1.6954], "mean": -1.7322, "spread": 0.0678}, "repeats_hs": {"runs": 3, "values": [0.1777, 0.0584, -0.3311], "mean": -0.0317, "spread": 0.5088}, "at": 1787973301}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.272, "total_ci95": [76.91, 81.558], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967365, "scored_at": 1787973301, "rank": null}, {"candidate_id": "ODC-207C7D", "res_at": 1787358003, "skeleton": "AAELMGBSQQQHJK", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········2)CC1", "total": 79.42, "axes": {"activity": 30.0, "binding": 19.33, "selectivity": 14.15, "admet": 5.05, "novelty": 6.81, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.485, "fraction": 1.0}, "binding": {"pIC50": 7.95, "LE": 0.294, "potency_term": 0.984, "efficiency_cap": 0.982}, "selectivity": {"fold": 27.4, "selectivity_term": 0.719, "target_engagement": 0.984}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.42, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.078, "dili": 0.197}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.485039049372451, "aff_pf": -1.9531594117482503, "aff_hs": -0.5153951545556387, "repeats_pf": {"runs": 3, "values": [-1.9996, -2.0613, -1.7986], "mean": -1.9532, "spread": 0.2628}, "repeats_hs": {"runs": 3, "values": [-0.883, -0.169, -0.4942], "mean": -0.5154, "spread": 0.7139}, "at": 1787358003}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.203, "total_ci95": [75.111, 83.989], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353900, "scored_at": 1787358003, "rank": null}, {"candidate_id": "ODC-E6B62B", "res_at": 1787926781, "skeleton": "BVGUGFHEEZUVSZ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W10", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········l)CC1", "total": 79.266, "axes": {"activity": 27.56, "binding": 19.93, "selectivity": 16.14, "admet": 4.37, "novelty": 7.35, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.254, "fraction": 0.919}, "binding": {"pIC50": 7.99, "LE": 0.304, "potency_term": 0.997, "efficiency_cap": 1.0}, "selectivity": {"fold": 41.6, "selectivity_term": 0.81, "target_engagement": 0.997}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.205, "caco2-wang": 0.61, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.161, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.05, "dili": 0.059}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.253573288347539, "aff_pf": -1.9898168245951335, "aff_hs": -0.3706281781196594, "repeats_pf": {"runs": 3, "values": [-1.9621, -1.9526, -2.0548], "mean": -1.9898, "spread": 0.1022}, "repeats_hs": {"runs": 3, "values": [-0.3045, -0.063, -0.7444], "mean": -0.3706, "spread": 0.6814}, "at": 1787926781}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.69, "total_ci95": [76.104, 82.332], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925595, "scored_at": 1787926781, "rank": null}, {"candidate_id": "ODC-703347", "res_at": 1787356804, "skeleton": "NTIJLQZPJRVODC", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC=CCCC··········C)CC1", "total": 79.197, "axes": {"activity": 28.32, "binding": 20.0, "selectivity": 14.93, "admet": 4.84, "novelty": 7.3, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.299, "fraction": 0.944}, "binding": {"pIC50": 8.11, "LE": 0.3, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 31.1, "selectivity_term": 0.746, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.46, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.12, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.636, "herg": 0.11, "dili": 0.21}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.299087900588576, "aff_pf": -2.1068111260732016, "aff_hs": -0.6140962640444437, "repeats_pf": {"runs": 3, "values": [-2.0612, -2.0617, -2.1975], "mean": -2.1068, "spread": 0.1362}, "repeats_hs": {"runs": 3, "values": [-0.6367, -0.6547, -0.5509], "mean": -0.6141, "spread": 0.1038}, "at": 1787356804}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.491, "total_ci95": [78.218, 80.044], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353700, "scored_at": 1787356804, "rank": null}, {"candidate_id": "ODC-E74FD6", "res_at": 1787975666, "skeleton": "GYGSTSRSNNVZCI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 79.194, "axes": {"activity": 30.0, "binding": 18.07, "selectivity": 16.0, "admet": 3.88, "novelty": 7.33, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.4, "fraction": 1.0}, "binding": {"pIC50": 7.87, "LE": 0.284, "potency_term": 0.956, "efficiency_cap": 0.945}, "selectivity": {"fold": 47.2, "selectivity_term": 0.837, "target_engagement": 0.956}, "admet": {"geometric_mean": 0.258, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.457, "hia-hou": 1.0, "bioavailability-ma": 0.898, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.539, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.400427156379891, "aff_pf": -1.867547591527303, "aff_hs": -0.19359024862448374, "repeats_pf": {"runs": 3, "values": [-1.7588, -1.8894, -1.9545], "mean": -1.8675, "spread": 0.1957}, "repeats_hs": {"runs": 3, "values": [-0.2388, -0.1494, -0.1925], "mean": -0.1936, "spread": 0.0894}, "at": 1787975666}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.146, "total_ci95": [76.661, 81.431], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967383, "scored_at": 1787975666, "rank": null}, {"candidate_id": "ODC-E8DA2B", "res_at": 1787504485, "skeleton": "SDDKGZLTJJPBJM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········C)CC1", "total": 79.153, "axes": {"activity": 30.0, "binding": 19.54, "selectivity": 13.51, "admet": 4.88, "novelty": 7.21, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 6.46, "fraction": 1.0}, "binding": {"pIC50": 7.98, "LE": 0.295, "potency_term": 0.992, "efficiency_cap": 0.985}, "selectivity": {"fold": 23.0, "selectivity_term": 0.681, "target_engagement": 0.992}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.486, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.259, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.276}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.459655617339447, "aff_pf": -1.977342128753662, "aff_hs": -0.6160398920377096, "repeats_pf": {"runs": 3, "values": [-1.8824, -2.0037, -2.0459], "mean": -1.9773, "spread": 0.1635}, "repeats_hs": {"runs": 3, "values": [-0.595, -0.5199, -0.7332], "mean": -0.616, "spread": 0.2133}, "at": 1787504485}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.964, "total_ci95": [76.961, 80.619], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497718, "scored_at": 1787504485, "rank": null}, {"candidate_id": "ODC-214DE8", "res_at": 1787037691, "skeleton": "UOCIHKPCMBMBBD", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 79.069, "axes": {"activity": 27.35, "binding": 18.81, "selectivity": 18.63, "admet": 4.25, "novelty": 6.87, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 6.241, "fraction": 0.912}, "binding": {"pIC50": 7.84, "LE": 0.298, "potency_term": 0.946, "efficiency_cap": 0.994}, "selectivity": {"fold": 93.2, "selectivity_term": 0.985, "target_engagement": 0.946}, "admet": {"geometric_mean": 0.301, "per_endpoint": {"solubility-aqsoldb": 0.192, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 0.619, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.524, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.731, "herg": 0.069, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.64}}, "run": {"gpu": "3", "pAct_q10": 6.241281176487727, "aff_pf": -1.8374642531077068, "aff_hs": 0.1317366361618042, "repeats_pf": {"runs": 3, "values": [-1.8529, -1.8751, -1.7844], "mean": -1.8375, "spread": 0.0907}, "repeats_hs": {"runs": 3, "values": [0.1093, 0.0879, 0.198], "mean": 0.1317, "spread": 0.1101}, "at": 1787037691}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.694, "total_ci95": [77.664, 80.212], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787034903, "scored_at": 1787037691, "rank": null}, {"candidate_id": "ODC-B20D6A", "res_at": 1787936545, "skeleton": "PUCYHWOIKCIIHK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W11", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C)CC1", "total": 79.005, "axes": {"activity": 30.0, "binding": 20.0, "selectivity": 12.42, "admet": 5.12, "novelty": 7.55, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.451, "fraction": 1.0}, "binding": {"pIC50": 8.11, "LE": 0.309, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 17.5, "selectivity_term": 0.621, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.244, "caco2-wang": 0.626, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.21, "cyp2c9-veith": 0.158, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.115}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.450903592309433, "aff_pf": -2.109079281489054, "aff_hs": -0.8669342398643494, "repeats_pf": {"runs": 3, "values": [-2.1191, -2.0872, -2.1209], "mean": -2.1091, "spread": 0.0337}, "repeats_hs": {"runs": 3, "values": [-0.8119, -0.9163, -0.8727], "mean": -0.8669, "spread": 0.1044}, "at": 1787936545}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.269, "total_ci95": [78.511, 79.555], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925610, "scored_at": 1787936545, "rank": null}, {"candidate_id": "ODC-3E914B", "res_at": 1787919983, "skeleton": "LKLHSEZGKUJCHR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-06", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 78.972, "axes": {"activity": 30.0, "binding": 16.93, "selectivity": 16.07, "admet": 4.86, "novelty": 7.18, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.607, "fraction": 1.0}, "binding": {"pIC50": 7.57, "LE": 0.296, "potency_term": 0.857, "efficiency_cap": 0.988}, "selectivity": {"fold": 75.0, "selectivity_term": 0.938, "target_engagement": 0.857}, "admet": {"geometric_mean": 0.324, "per_endpoint": {"solubility-aqsoldb": 0.233, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.311, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.75, "herg": 0.05, "dili": 0.127}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.60690893014174, "aff_pf": -1.5705633958180745, "aff_hs": 0.30471459527810413, "repeats_pf": {"runs": 3, "values": [-1.5787, -1.5783, -1.5547], "mean": -1.5706, "spread": 0.024}, "repeats_hs": {"runs": 3, "values": [0.2367, 0.3393, 0.3381], "mean": 0.3047, "spread": 0.1026}, "at": 1787919983}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.292, "total_ci95": [78.389, 79.452], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909200, "scored_at": 1787919983, "rank": null}, {"candidate_id": "ODC-6C4316", "res_at": 1787550208, "skeleton": "YIZRQQHYUZYVOP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········F)CC1", "total": 78.933, "axes": {"activity": 27.27, "binding": 18.88, "selectivity": 17.88, "admet": 4.77, "novelty": 7.1, "synthesis": 3.04}, "detail": {"activity": {"pAct_q10": 6.236, "fraction": 0.909}, "binding": {"pIC50": 7.9, "LE": 0.293, "potency_term": 0.968, "efficiency_cap": 0.975}, "selectivity": {"fold": 70.4, "selectivity_term": 0.924, "target_engagement": 0.968}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.242, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.062, "ld50-zhu": 0.753, "herg": 0.05, "dili": 0.069}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.75}}, "run": {"gpu": "3", "pAct_q10": 6.236005699078814, "aff_pf": -1.902936577796936, "aff_hs": -0.05523288001616796, "repeats_pf": {"runs": 3, "values": [-1.915, -1.9169, -1.8769], "mean": -1.9029, "spread": 0.04}, "repeats_hs": {"runs": 3, "values": [-0.0463, 0.0954, -0.2149], "mean": -0.0552, "spread": 0.3103}, "at": 1787550208}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.728, "total_ci95": [77.514, 80.411], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527267, "scored_at": 1787550208, "rank": null}, {"candidate_id": "ODC-2E37AD", "res_at": 1787920428, "skeleton": "PUPCUOKVZNJDDL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-08", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········F)CC1", "total": 78.901, "axes": {"activity": 30.0, "binding": 17.87, "selectivity": 16.36, "admet": 4.37, "novelty": 7.11, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 6.551, "fraction": 1.0}, "binding": {"pIC50": 7.73, "LE": 0.294, "potency_term": 0.911, "efficiency_cap": 0.981}, "selectivity": {"fold": 62.5, "selectivity_term": 0.898, "target_engagement": 0.911}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.608, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.443, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.787, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.77}}, "run": {"gpu": "3", "pAct_q10": 6.551054764327205, "aff_pf": -1.7332393725713093, "aff_hs": 0.062933216492335, "repeats_pf": {"runs": 3, "values": [-1.8264, -1.7471, -1.6263], "mean": -1.7332, "spread": 0.2001}, "repeats_hs": {"runs": 3, "values": [0.0425, 0.0625, 0.0839], "mean": 0.0629, "spread": 0.0414}, "at": 1787920428}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.128, "total_ci95": [77.201, 81.169], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909216, "scored_at": 1787920428, "rank": null}, {"candidate_id": "ODC-FD8048", "res_at": 1787652277, "skeleton": "FDWNNMBAHDQNPI", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 78.805, "axes": {"activity": 30.0, "binding": 18.54, "selectivity": 14.26, "admet": 4.76, "novelty": 7.3, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.594, "fraction": 1.0}, "binding": {"pIC50": 7.86, "LE": 0.291, "potency_term": 0.955, "efficiency_cap": 0.971}, "selectivity": {"fold": 31.2, "selectivity_term": 0.747, "target_engagement": 0.955}, "admet": {"geometric_mean": 0.318, "per_endpoint": {"solubility-aqsoldb": 0.254, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.685, "herg": 0.156, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.593733021056836, "aff_pf": -1.864625096321106, "aff_hs": -0.37111397584279376, "repeats_pf": {"runs": 3, "values": [-1.874, -1.7874, -1.9325], "mean": -1.8646, "spread": 0.1451}, "repeats_hs": {"runs": 3, "values": [-0.4957, -0.2251, -0.3926], "mean": -0.3711, "spread": 0.2707}, "at": 1787652277}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.046, "total_ci95": [76.838, 80.82], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647962, "scored_at": 1787652277, "rank": null}, {"candidate_id": "ODC-CF63A7", "res_at": 1788299056, "skeleton": "NPUICLBUVMQHOE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-A-H1-az-b-C5-2Mebutyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········N)CC1", "total": 78.784, "axes": {"activity": 30.0, "binding": 16.2, "selectivity": 16.58, "admet": 5.67, "novelty": 7.05, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 6.423, "fraction": 1.0}, "binding": {"pIC50": 7.49, "LE": 0.293, "potency_term": 0.829, "efficiency_cap": 0.977}, "selectivity": {"fold": 334.8, "selectivity_term": 1.0, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.339, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.806, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.05, "dili": 0.138}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.7}}, "run": {"gpu": "0", "pAct_q10": 6.423415419668053, "aff_pf": -1.487725019454956, "aff_hs": 1.0369989077250164, "repeats_pf": {"runs": 3, "values": [-1.4989, -1.5785, -1.3858], "mean": -1.4877, "spread": 0.1927}, "repeats_hs": {"runs": 3, "values": [1.4077, 0.9863, 0.717], "mean": 1.037, "spread": 0.6908}, "at": 1788299056}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.746, "total_ci95": [77.229, 80.184], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271620, "scored_at": 1788299056, "rank": null}, {"candidate_id": "ODC-579B72", "res_at": 1787503288, "skeleton": "QKQZVWNJXYACGS", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 78.735, "axes": {"activity": 30.0, "binding": 19.63, "selectivity": 13.81, "admet": 4.19, "novelty": 7.05, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.443, "fraction": 1.0}, "binding": {"pIC50": 7.99, "LE": 0.296, "potency_term": 0.996, "efficiency_cap": 0.986}, "selectivity": {"fold": 24.4, "selectivity_term": 0.694, "target_engagement": 0.996}, "admet": {"geometric_mean": 0.28, "per_endpoint": {"solubility-aqsoldb": 0.135, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.357, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.295, "novelty": 0.705}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.4428143898504775, "aff_pf": -1.986693024635315, "aff_hs": -0.599165678024292, "repeats_pf": {"runs": 3, "values": [-1.984, -2.0092, -1.9669], "mean": -1.9867, "spread": 0.0423}, "repeats_hs": {"runs": 3, "values": [-0.9187, -0.5599, -0.3189], "mean": -0.5992, "spread": 0.5998}, "at": 1787503288}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.522, "total_ci95": [75.554, 81.665], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497674, "scored_at": 1787503288, "rank": null}, {"candidate_id": "ODC-ACBE74", "res_at": 1787926560, "skeleton": "STAHRFWQQGHZJK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W06", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········CCCC1", "total": 78.689, "axes": {"activity": 27.72, "binding": 18.87, "selectivity": 18.34, "admet": 3.3, "novelty": 6.74, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.263, "fraction": 0.924}, "binding": {"pIC50": 7.9, "LE": 0.293, "potency_term": 0.967, "efficiency_cap": 0.975}, "selectivity": {"fold": 78.6, "selectivity_term": 0.948, "target_engagement": 0.967}, "admet": {"geometric_mean": 0.233, "per_endpoint": {"solubility-aqsoldb": 0.062, "caco2-wang": 0.428, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.173}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.263498441779137, "aff_pf": -1.9023581345876057, "aff_hs": -0.007095585266749064, "repeats_pf": {"runs": 3, "values": [-1.831, -1.9183, -1.9578], "mean": -1.9024, "spread": 0.1267}, "repeats_hs": {"runs": 3, "values": [-0.023, 0.0459, -0.0441], "mean": -0.0071, "spread": 0.09}, "at": 1787926560}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.03, "total_ci95": [76.585, 80.442], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925550, "scored_at": 1787926560, "rank": null}, {"candidate_id": "ODC-C1D6F6", "res_at": 1789391041, "skeleton": "YQRZFWVHSAODPK", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCNC(··········CCCC1", "total": 78.608, "axes": {"activity": 30.0, "binding": 18.21, "selectivity": 15.61, "admet": 3.5, "novelty": 7.33, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.609, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.29, "potency_term": 0.942, "efficiency_cap": 0.966}, "selectivity": {"fold": 45.3, "selectivity_term": 0.828, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.234, "per_endpoint": {"solubility-aqsoldb": 0.066, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.619, "herg": 0.088, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.60927171971025, "aff_pf": -1.827392299969991, "aff_hs": -0.17123954743146896, "repeats_pf": {"runs": 3, "values": [-1.7884, -1.8372, -1.8566], "mean": -1.8274, "spread": 0.0682}, "repeats_hs": {"runs": 3, "values": [-0.2383, -0.3027, 0.0273], "mean": -0.1712, "spread": 0.33}, "at": 1789391041}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.851, "total_ci95": [77.192, 80.479], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1789390680, "scored_at": 1789391041, "rank": null}, {"candidate_id": "ODC-16B005", "res_at": 1787939301, "skeleton": "PMHTUJJLHDVGKR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-X04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········)CCC1", "total": 78.438, "axes": {"activity": 28.54, "binding": 18.09, "selectivity": 16.42, "admet": 4.7, "novelty": 7.05, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.312, "fraction": 0.951}, "binding": {"pIC50": 7.76, "LE": 0.295, "potency_term": 0.919, "efficiency_cap": 0.984}, "selectivity": {"fold": 61.1, "selectivity_term": 0.893, "target_engagement": 0.919}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.437, "caco2-wang": 0.259, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.35, "cyp2c9-veith": 0.091, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.16}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "0", "pAct_q10": 6.312420608264292, "aff_pf": -1.7575055758158367, "aff_hs": 0.028571878870328266, "repeats_pf": {"runs": 3, "values": [-1.7055, -1.6929, -1.8741], "mean": -1.7575, "spread": 0.1811}, "repeats_hs": {"runs": 3, "values": [0.3759, 0.1416, -0.4318], "mean": 0.0286, "spread": 0.8077}, "at": 1787939301}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.87, "total_ci95": [74.676, 81.387], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787927652, "scored_at": 1787939301, "rank": null}, {"candidate_id": "ODC-C91F41", "res_at": 1787394990, "skeleton": "OOMQGHVEWOQBOO", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 78.362, "axes": {"activity": 29.51, "binding": 19.1, "selectivity": 14.99, "admet": 3.7, "novelty": 7.1, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.371, "fraction": 0.984}, "binding": {"pIC50": 7.87, "LE": 0.308, "potency_term": 0.955, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.1, "selectivity_term": 0.785, "target_engagement": 0.955}, "admet": {"geometric_mean": 0.25, "per_endpoint": {"solubility-aqsoldb": 0.143, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 0.879, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.370523704899606, "aff_pf": -1.8656323353449504, "aff_hs": -0.29597582419713336, "repeats_pf": {"runs": 3, "values": [-1.8664, -1.8745, -1.856], "mean": -1.8656, "spread": 0.0185}, "repeats_hs": {"runs": 3, "values": [0.4201, -0.757, -0.551], "mean": -0.296, "spread": 1.177}, "at": 1787394990}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.56, "total_ci95": [74.027, 82.426], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787394726, "scored_at": 1787394990, "rank": null}, {"candidate_id": "ODC-5A8F6B", "res_at": 1787488884, "skeleton": "GPTWLTCYAYBIII", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 78.21, "axes": {"activity": 27.74, "binding": 18.17, "selectivity": 18.44, "admet": 4.26, "novelty": 6.45, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 6.265, "fraction": 0.925}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.922, "efficiency_cap": 0.985}, "selectivity": {"fold": 104.7, "selectivity_term": 1.0, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.517, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.226, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.754, "herg": 0.082, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.62}}, "run": {"gpu": "3", "pAct_q10": 6.264697001288492, "aff_pf": -1.7660504976908367, "aff_hs": 0.25404636065165204, "repeats_pf": {"runs": 3, "values": [-1.7859, -1.7372, -1.7751], "mean": -1.7661, "spread": 0.0487}, "repeats_hs": {"runs": 3, "values": [0.1947, 0.2987, 0.2687], "mean": 0.254, "spread": 0.1039}, "at": 1787488884}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.231, "total_ci95": [77.681, 78.519], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787488478, "scored_at": 1787488884, "rank": null}, {"candidate_id": "ODC-BDCA5D", "res_at": 1787652473, "skeleton": "DDMIJFLRTGCCHP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 78.198, "axes": {"activity": 30.0, "binding": 18.28, "selectivity": 14.48, "admet": 4.33, "novelty": 7.3, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.588, "fraction": 1.0}, "binding": {"pIC50": 7.84, "LE": 0.29, "potency_term": 0.945, "efficiency_cap": 0.967}, "selectivity": {"fold": 34.1, "selectivity_term": 0.766, "target_engagement": 0.945}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.056, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.05, "dili": 0.213}}, "novelty": {"max_tanimoto": 0.27, "novelty": 0.73}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.587688712515598, "aff_pf": -1.8350916306177776, "aff_hs": -0.3029303252696991, "repeats_pf": {"runs": 3, "values": [-1.7477, -1.8915, -1.8661], "mean": -1.8351, "spread": 0.1438}, "repeats_hs": {"runs": 3, "values": [-0.0319, -0.4024, -0.4745], "mean": -0.3029, "spread": 0.4425}, "at": 1787652473}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.367, "total_ci95": [75.909, 80.744], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647970, "scored_at": 1787652473, "rank": null}, {"candidate_id": "ODC-789A1D", "res_at": 1787355983, "skeleton": "DWYWJDXWRHWTHO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········F)CC1", "total": 78.157, "axes": {"activity": 30.0, "binding": 18.72, "selectivity": 13.75, "admet": 4.69, "novelty": 7.02, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.416, "fraction": 1.0}, "binding": {"pIC50": 7.88, "LE": 0.292, "potency_term": 0.962, "efficiency_cap": 0.973}, "selectivity": {"fold": 26.9, "selectivity_term": 0.715, "target_engagement": 0.962}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.194, "caco2-wang": 0.436, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.05, "dili": 0.445}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.415670229587695, "aff_pf": -1.8847984472910564, "aff_hs": -0.4543765385945638, "repeats_pf": {"runs": 3, "values": [-1.9773, -1.9701, -1.707], "mean": -1.8848, "spread": 0.2703}, "repeats_hs": {"runs": 3, "values": [-0.1548, -0.5677, -0.6406], "mean": -0.4544, "spread": 0.4858}, "at": 1787355983}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.028, "total_ci95": [74.415, 81.892], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353637, "scored_at": 1787355983, "rank": null}, {"candidate_id": "ODC-2457D4", "res_at": 1787502480, "skeleton": "HIYCTFUGFURQGR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 78.14, "axes": {"activity": 30.0, "binding": 16.22, "selectivity": 16.76, "admet": 4.02, "novelty": 7.08, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.556, "fraction": 1.0}, "binding": {"pIC50": 7.65, "LE": 0.276, "potency_term": 0.882, "efficiency_cap": 0.919}, "selectivity": {"fold": 79.4, "selectivity_term": 0.95, "target_engagement": 0.882}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.099, "caco2-wang": 0.553, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.303, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.555610856652641, "aff_pf": -1.6470452944437664, "aff_hs": 0.25250261028607685, "repeats_pf": {"runs": 3, "values": [-1.6322, -1.717, -1.592], "mean": -1.647, "spread": 0.1251}, "repeats_hs": {"runs": 3, "values": [0.298, -0.2368, 0.6963], "mean": 0.2525, "spread": 0.9331}, "at": 1787502480}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.535, "total_ci95": [74.442, 79.65], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497033, "scored_at": 1787502480, "rank": null}, {"candidate_id": "ODC-B45522", "res_at": 1787247179, "skeleton": "XMCWPZGZZPGDKG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)CC1", "total": 78.017, "axes": {"activity": 30.0, "binding": 18.4, "selectivity": 12.59, "admet": 5.71, "novelty": 7.53, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.411, "fraction": 1.0}, "binding": {"pIC50": 7.85, "LE": 0.291, "potency_term": 0.95, "efficiency_cap": 0.969}, "selectivity": {"fold": 21.2, "selectivity_term": 0.663, "target_engagement": 0.95}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.118, "caco2-wang": 0.549, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.31, "cyp2c9-veith": 0.478, "cyp3a4-substrate-carbonmangels": 0.196, "ld50-zhu": 0.854, "herg": 0.05, "dili": 0.114}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.411241504038214, "aff_pf": -1.8493199745814006, "aff_hs": -0.5237370133399963, "repeats_pf": {"runs": 3, "values": [-1.7891, -1.8862, -1.8726], "mean": -1.8493, "spread": 0.0971}, "repeats_hs": {"runs": 3, "values": [-0.4357, -0.448, -0.6874], "mean": -0.5237, "spread": 0.2517}, "at": 1787247179}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.842, "total_ci95": [76.498, 79.602], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787239438, "scored_at": 1787247179, "rank": null}, {"candidate_id": "ODC-195E2C", "res_at": 1787934683, "skeleton": "UQAOPWLCAVPAJJ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W04", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········CCCC1", "total": 77.976, "axes": {"activity": 28.51, "binding": 18.04, "selectivity": 17.31, "admet": 3.58, "novelty": 6.8, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.311, "fraction": 0.95}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.936, "efficiency_cap": 0.964}, "selectivity": {"fold": 70.7, "selectivity_term": 0.925, "target_engagement": 0.936}, "admet": {"geometric_mean": 0.251, "per_endpoint": {"solubility-aqsoldb": 0.096, "caco2-wang": 0.467, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.068, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.644, "herg": 0.05, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.3105438939208955, "aff_pf": -1.8084226449330647, "aff_hs": 0.040702750285466514, "repeats_pf": {"runs": 3, "values": [-1.8011, -1.8857, -1.7385], "mean": -1.8084, "spread": 0.1473}, "repeats_hs": {"runs": 3, "values": [-0.0602, 0.0632, 0.1192], "mean": 0.0407, "spread": 0.1794}, "at": 1787934683}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.911, "total_ci95": [76.246, 79.746], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925540, "scored_at": 1787934683, "rank": null}, {"candidate_id": "ODC-1E2C24", "res_at": 1787587145, "skeleton": "XOGAHLBNFVVFMW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 77.934, "axes": {"activity": 30.0, "binding": 15.48, "selectivity": 16.37, "admet": 4.66, "novelty": 7.56, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.486, "fraction": 1.0}, "binding": {"pIC50": 7.45, "LE": 0.284, "potency_term": 0.818, "efficiency_cap": 0.946}, "selectivity": {"fold": 157.6, "selectivity_term": 1.0, "target_engagement": 0.818}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.355, "hia-hou": 1.0, "bioavailability-ma": 0.963, "pgp-broccatelli": 0.339, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.485777907399185, "aff_pf": -1.4549320141474407, "aff_hs": 0.7424891988436381, "repeats_pf": {"runs": 3, "values": [-1.384, -1.4936, -1.4873], "mean": -1.4549, "spread": 0.1096}, "repeats_hs": {"runs": 3, "values": [0.8388, 0.743, 0.6457], "mean": 0.7425, "spread": 0.1931}, "at": 1787587145}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.452, "total_ci95": [76.871, 78.517], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583647, "scored_at": 1787587145, "rank": null}, {"candidate_id": "ODC-65C047", "res_at": 1787993738, "skeleton": "CWAMHBKKGDELEL", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150V2-01", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········F)CC1", "total": 77.868, "axes": {"activity": 30.0, "binding": 17.07, "selectivity": 16.18, "admet": 4.13, "novelty": 7.33, "synthesis": 3.15}, "detail": {"activity": {"pAct_q10": 6.408, "fraction": 1.0}, "binding": {"pIC50": 7.75, "LE": 0.279, "potency_term": 0.916, "efficiency_cap": 0.931}, "selectivity": {"fold": 58.4, "selectivity_term": 0.883, "target_engagement": 0.916}, "admet": {"geometric_mean": 0.276, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.545, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.547, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.817, "herg": 0.05, "dili": 0.119}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "0", "pAct_q10": 6.408214269314578, "aff_pf": -1.749003489812215, "aff_hs": 0.017061111827691395, "repeats_pf": {"runs": 3, "values": [-1.6981, -1.7992, -1.7497], "mean": -1.749, "spread": 0.1011}, "repeats_hs": {"runs": 3, "values": [-0.045, 0.0944, 0.0017], "mean": 0.0171, "spread": 0.1394}, "at": 1787993738}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.61, "total_ci95": [76.685, 79.056], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967513, "scored_at": 1787993738, "rank": null}, {"candidate_id": "ODC-EE958D", "res_at": 1787941952, "skeleton": "GKXOJHBOTJWLAU", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C)CC1", "total": 77.818, "axes": {"activity": 30.0, "binding": 18.09, "selectivity": 13.7, "admet": 5.13, "novelty": 7.02, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.526, "fraction": 1.0}, "binding": {"pIC50": 7.76, "LE": 0.295, "potency_term": 0.919, "efficiency_cap": 0.984}, "selectivity": {"fold": 30.9, "selectivity_term": 0.745, "target_engagement": 0.919}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.197, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.68, "herg": 0.05, "dili": 0.095}}, "novelty": {"max_tanimoto": 0.298, "novelty": 0.702}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "0", "pAct_q10": 6.526056982529375, "aff_pf": -1.7571876843770344, "aff_hs": -0.26673392454783124, "repeats_pf": {"runs": 3, "values": [-1.6858, -1.7438, -1.8419], "mean": -1.7572, "spread": 0.1561}, "repeats_hs": {"runs": 3, "values": [-0.1861, -0.2506, -0.3635], "mean": -0.2667, "spread": 0.1773}, "at": 1787941952}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.89, "total_ci95": [76.193, 79.597], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928467, "scored_at": 1787941952, "rank": null}, {"candidate_id": "ODC-ECF772", "res_at": 1787981556, "skeleton": "TVFPVYFVGNEDSR", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-12", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········2)CC1", "total": 77.498, "axes": {"activity": 30.0, "binding": 17.62, "selectivity": 13.82, "admet": 4.51, "novelty": 7.35, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 6.49, "fraction": 1.0}, "binding": {"pIC50": 7.7, "LE": 0.293, "potency_term": 0.902, "efficiency_cap": 0.977}, "selectivity": {"fold": 34.1, "selectivity_term": 0.766, "target_engagement": 0.902}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.189, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.088, "dili": 0.084}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 6.489930274481968, "aff_pf": -1.7048709392547607, "aff_hs": -0.17191795508066812, "repeats_pf": {"runs": 3, "values": [-1.6284, -1.7671, -1.7192], "mean": -1.7049, "spread": 0.1387}, "repeats_hs": {"runs": 3, "values": [-0.1448, -0.0892, -0.2818], "mean": -0.1719, "spread": 0.1926}, "at": 1787981556}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.832, "total_ci95": [75.878, 79.156], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967433, "scored_at": 1787981556, "rank": null}, {"candidate_id": "ODC-24F1C3", "res_at": 1787306160, "skeleton": "MRCXWPGVLWTCGS", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 77.455, "axes": {"activity": 30.0, "binding": 19.24, "selectivity": 11.58, "admet": 5.36, "novelty": 7.29, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.607, "fraction": 1.0}, "binding": {"pIC50": 7.89, "LE": 0.3, "potency_term": 0.962, "efficiency_cap": 1.0}, "selectivity": {"fold": 16.0, "selectivity_term": 0.602, "target_engagement": 0.962}, "admet": {"geometric_mean": 0.357, "per_endpoint": {"solubility-aqsoldb": 0.234, "caco2-wang": 0.579, "hia-hou": 1.0, "bioavailability-ma": 0.97, "pgp-broccatelli": 0.309, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.824, "herg": 0.05, "dili": 0.114}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.607271142111399, "aff_pf": -1.885352611541748, "aff_hs": -0.6815670927365621, "repeats_pf": {"runs": 3, "values": [-1.8265, -1.9333, -1.8962], "mean": -1.8854, "spread": 0.1068}, "repeats_hs": {"runs": 3, "values": [-0.6953, -0.6053, -0.7441], "mean": -0.6816, "spread": 0.1388}, "at": 1787306160}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.611, "total_ci95": [76.216, 78.632], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787305783, "scored_at": 1787306160, "rank": null}, {"candidate_id": "ODC-D4BEBB", "res_at": 1787651884, "skeleton": "XFQBOOAMOLUZJO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C#CCCCN··········N)CC1", "total": 77.444, "axes": {"activity": 29.87, "binding": 19.02, "selectivity": 12.42, "admet": 5.08, "novelty": 7.32, "synthesis": 3.73}, "detail": {"activity": {"pAct_q10": 6.392, "fraction": 0.996}, "binding": {"pIC50": 7.85, "LE": 0.307, "potency_term": 0.951, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.2, "selectivity_term": 0.653, "target_engagement": 0.951}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.328, "caco2-wang": 0.268, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.882, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.332}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.3922795680515225, "aff_pf": -1.8526265223821003, "aff_hs": -0.5464602808157603, "repeats_pf": {"runs": 3, "values": [-1.8413, -1.8307, -1.8859], "mean": -1.8526, "spread": 0.0553}, "repeats_hs": {"runs": 3, "values": [-0.6237, -0.4411, -0.5746], "mean": -0.5465, "spread": 0.1826}, "at": 1787651884}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.488, "total_ci95": [76.564, 78.446], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647947, "scored_at": 1787651884, "rank": null}, {"candidate_id": "ODC-CB0EEE", "res_at": 1787457711, "skeleton": "OWTGDLGLGUUVRA", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 77.43, "axes": {"activity": 30.0, "binding": 17.47, "selectivity": 13.95, "admet": 4.7, "novelty": 7.21, "synthesis": 4.1}, "detail": {"activity": {"pAct_q10": 6.486, "fraction": 1.0}, "binding": {"pIC50": 7.74, "LE": 0.287, "potency_term": 0.914, "efficiency_cap": 0.956}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.914}, "admet": {"geometric_mean": 0.313, "per_endpoint": {"solubility-aqsoldb": 0.202, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.732, "herg": 0.05, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.486342865119299, "aff_pf": -1.7419979174931843, "aff_hs": -0.21534115076065063, "repeats_pf": {"runs": 3, "values": [-1.6825, -1.7746, -1.7688], "mean": -1.742, "spread": 0.0921}, "repeats_hs": {"runs": 3, "values": [0.0095, 0.1577, -0.8132], "mean": -0.2153, "spread": 0.971}, "at": 1787457711}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.169, "total_ci95": [72.61, 81.079], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787457506, "scored_at": 1787457711, "rank": null}, {"candidate_id": "ODC-7097DD", "res_at": 1787473788, "skeleton": "MRWZILGLEOEYDX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CC(=O··········l)CC1", "total": 77.313, "axes": {"activity": 29.16, "binding": 17.73, "selectivity": 15.41, "admet": 4.34, "novelty": 6.91, "synthesis": 3.77}, "detail": {"activity": {"pAct_q10": 6.349, "fraction": 0.972}, "binding": {"pIC50": 7.77, "LE": 0.288, "potency_term": 0.924, "efficiency_cap": 0.959}, "selectivity": {"fold": 46.6, "selectivity_term": 0.834, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.298, "per_endpoint": {"solubility-aqsoldb": 0.269, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.738, "herg": 0.103, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.34945130813413, "aff_pf": -1.7719428141911824, "aff_hs": -0.1038076678911845, "repeats_pf": {"runs": 3, "values": [-1.7342, -1.7834, -1.7982], "mean": -1.7719, "spread": 0.064}, "repeats_hs": {"runs": 3, "values": [-0.2862, 0.0968, -0.1221], "mean": -0.1038, "spread": 0.383}, "at": 1787473788}, "tier": 2, "alerts": ["아지리딘", "마이클수용체_말단"], "total_sd": 0.891, "total_ci95": [75.643, 79.286], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787473426, "scored_at": 1787473788, "rank": null}, {"candidate_id": "ODC-CBB5DC", "res_at": 1787987432, "skeleton": "LJILWBLPZVUNLT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-25", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 77.269, "axes": {"activity": 30.0, "binding": 16.73, "selectivity": 14.1, "admet": 5.1, "novelty": 7.33, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.555, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.289, "potency_term": 0.867, "efficiency_cap": 0.964}, "selectivity": {"fold": 42.3, "selectivity_term": 0.813, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.199, "caco2-wang": 0.583, "hia-hou": 1.0, "bioavailability-ma": 0.977, "pgp-broccatelli": 0.266, "cyp2c9-veith": 0.148, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.812, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.555262860451951, "aff_pf": -1.6023386319478352, "aff_hs": 0.023592370251814525, "repeats_pf": {"runs": 3, "values": [-1.6374, -1.5211, -1.6485], "mean": -1.6023, "spread": 0.1274}, "repeats_hs": {"runs": 3, "values": [0.2979, -0.0966, -0.1305], "mean": 0.0236, "spread": 0.4284}, "at": 1787987432}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.267, "total_ci95": [75.093, 79.648], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967486, "scored_at": 1787987432, "rank": null}, {"candidate_id": "ODC-A98D09", "res_at": 1787651491, "skeleton": "NFWBZNBVDGHUGX", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 77.213, "axes": {"activity": 30.0, "binding": 18.08, "selectivity": 13.98, "admet": 4.07, "novelty": 7.43, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.529, "fraction": 1.0}, "binding": {"pIC50": 7.81, "LE": 0.289, "potency_term": 0.938, "efficiency_cap": 0.964}, "selectivity": {"fold": 31.0, "selectivity_term": 0.745, "target_engagement": 0.938}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.155, "caco2-wang": 0.563, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.735, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.257, "novelty": 0.743}, "synthesis": {"sa_score": 3.44}}, "run": {"gpu": "3", "pAct_q10": 6.529206581654629, "aff_pf": -1.8129820823669434, "aff_hs": -0.3221169710159302, "repeats_pf": {"runs": 3, "values": [-1.8264, -1.7914, -1.8212], "mean": -1.813, "spread": 0.0351}, "repeats_hs": {"runs": 3, "values": [-0.2762, -0.3779, -0.3122], "mean": -0.3221, "spread": 0.1017}, "at": 1787651491}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.283, "total_ci95": [76.668, 77.803], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647926, "scored_at": 1787651491, "rank": null}, {"candidate_id": "ODC-6C21B8", "res_at": 1787931592, "skeleton": "ZYYNZQHAFHFTDB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W18", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········F)CC1", "total": 76.796, "axes": {"activity": 30.0, "binding": 16.73, "selectivity": 13.88, "admet": 5.22, "novelty": 6.99, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.412, "fraction": 1.0}, "binding": {"pIC50": 7.55, "LE": 0.295, "potency_term": 0.849, "efficiency_cap": 0.985}, "selectivity": {"fold": 43.1, "selectivity_term": 0.817, "target_engagement": 0.849}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.079, "cyp2c9-veith": 0.103, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.435}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.412215904079398, "aff_pf": -1.5476514498392742, "aff_hs": 0.08694468686978023, "repeats_pf": {"runs": 3, "values": [-1.4899, -1.5279, -1.6252], "mean": -1.5477, "spread": 0.1353}, "repeats_hs": {"runs": 3, "values": [0.1076, 0.0551, 0.0981], "mean": 0.0869, "spread": 0.0525}, "at": 1787931592}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.723, "total_ci95": [75.634, 78.458], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925692, "scored_at": 1787931592, "rank": null}, {"candidate_id": "ODC-A65675", "res_at": 1787587534, "skeleton": "YOMPJVXKQGNGMM", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 76.787, "axes": {"activity": 30.0, "binding": 17.36, "selectivity": 13.22, "admet": 4.99, "novelty": 7.21, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 6.477, "fraction": 1.0}, "binding": {"pIC50": 7.67, "LE": 0.292, "potency_term": 0.892, "efficiency_cap": 0.974}, "selectivity": {"fold": 30.4, "selectivity_term": 0.741, "target_engagement": 0.892}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.323, "caco2-wang": 0.362, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.629, "herg": 0.1, "dili": 0.279}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 6.476837485183282, "aff_pf": -1.6747080087661743, "aff_hs": -0.19239737590154013, "repeats_pf": {"runs": 3, "values": [-1.654, -1.7629, -1.6072], "mean": -1.6747, "spread": 0.1556}, "repeats_hs": {"runs": 3, "values": [-0.0995, -0.3789, -0.0988], "mean": -0.1924, "spread": 0.2802}, "at": 1787587534}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.169, "total_ci95": [74.471, 78.82], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583662, "scored_at": 1787587534, "rank": null}, {"candidate_id": "ODC-1AE154", "res_at": 1789389574, "skeleton": "RKCHCRGFRZQOPE", "hf_user": "1Dmeds", "display_name": "ODC26-S1D01", "model_name": "ensemble", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 76.706, "axes": {"activity": 30.0, "binding": 18.46, "selectivity": 13.22, "admet": 3.73, "novelty": 7.18, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 6.549, "fraction": 1.0}, "binding": {"pIC50": 7.86, "LE": 0.291, "potency_term": 0.952, "efficiency_cap": 0.97}, "selectivity": {"fold": 24.5, "selectivity_term": 0.695, "target_engagement": 0.952}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 0.925, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.628, "herg": 0.054, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 6.549091735457433, "aff_pf": -1.855346401532491, "aff_hs": -0.465851366519928, "repeats_pf": {"runs": 3, "values": [-1.8483, -1.9554, -1.7624], "mean": -1.8553, "spread": 0.193}, "repeats_hs": {"runs": 3, "values": [-0.3563, -0.4044, -0.6368], "mean": -0.4659, "spread": 0.2805}, "at": 1789389574}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.242, "total_ci95": [74.46, 79.203], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1789389108, "scored_at": 1789389574, "rank": null}, {"candidate_id": "ODC-696D9B", "res_at": 1787992416, "skeleton": "QGDRWSTUACAMBO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-30", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 76.679, "axes": {"activity": 30.0, "binding": 16.1, "selectivity": 13.91, "admet": 5.38, "novelty": 6.95, "synthesis": 4.33}, "detail": {"activity": {"pAct_q10": 6.545, "fraction": 1.0}, "binding": {"pIC50": 7.48, "LE": 0.293, "potency_term": 0.825, "efficiency_cap": 0.975}, "selectivity": {"fold": 48.4, "selectivity_term": 0.843, "target_engagement": 0.825}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.445, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.28, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.683, "herg": 0.165, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.305, "novelty": 0.695}, "synthesis": {"sa_score": 2.97}}, "run": {"gpu": "0", "pAct_q10": 6.545229958497713, "aff_pf": -1.4763680696487427, "aff_hs": 0.2087754731376966, "repeats_pf": {"runs": 3, "values": [-1.3433, -1.4809, -1.6049], "mean": -1.4764, "spread": 0.2616}, "repeats_hs": {"runs": 3, "values": [0.4608, 0.0706, 0.095], "mean": 0.2088, "spread": 0.3902}, "at": 1787992416}, "tier": 2, "alerts": ["아지리딘"], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967507, "scored_at": 1787992416, "rank": null}, {"candidate_id": "ODC-AF3B84", "res_at": 1787499588, "skeleton": "YRKYKHXLOHHNQU", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 76.582, "axes": {"activity": 30.0, "binding": 16.94, "selectivity": 14.01, "admet": 4.38, "novelty": 7.24, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.57, "fraction": 1.0}, "binding": {"pIC50": 7.63, "LE": 0.29, "potency_term": 0.875, "efficiency_cap": 0.967}, "selectivity": {"fold": 39.9, "selectivity_term": 0.8, "target_engagement": 0.875}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.094, "dili": 0.098}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.569650350932959, "aff_pf": -1.6264782746632893, "aff_hs": -0.025881757338841755, "repeats_pf": {"runs": 3, "values": [-1.5865, -1.6376, -1.6553], "mean": -1.6265, "spread": 0.0688}, "repeats_hs": {"runs": 3, "values": [-0.3121, 0.2759, -0.0414], "mean": -0.0259, "spread": 0.5881}, "at": 1787499588}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.385, "total_ci95": [73.947, 79.364], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787492072, "scored_at": 1787499588, "rank": null}, {"candidate_id": "ODC-6C949C", "res_at": 1787652079, "skeleton": "BKEJTVVUBDPFCN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········C)CC1", "total": 76.443, "axes": {"activity": 29.6, "binding": 19.06, "selectivity": 12.43, "admet": 4.4, "novelty": 7.18, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.376, "fraction": 0.987}, "binding": {"pIC50": 7.92, "LE": 0.293, "potency_term": 0.975, "efficiency_cap": 0.978}, "selectivity": {"fold": 18.9, "selectivity_term": 0.638, "target_engagement": 0.975}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.121, "caco2-wang": 0.462, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.131, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.765, "herg": 0.05, "dili": 0.417}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.3758926083418315, "aff_pf": -1.9236133495966594, "aff_hs": -0.6477702458699545, "repeats_pf": {"runs": 3, "values": [-1.9548, -1.9449, -1.8711], "mean": -1.9236, "spread": 0.0836}, "repeats_hs": {"runs": 3, "values": [-0.6471, -0.5216, -0.7746], "mean": -0.6478, "spread": 0.253}, "at": 1787652079}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.707, "total_ci95": [75.066, 77.761], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787647956, "scored_at": 1787652079, "rank": null}, {"candidate_id": "ODC-8DE725", "res_at": 1787974812, "skeleton": "TZQDNIPHEUTZAT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········C)CC1", "total": 76.437, "axes": {"activity": 30.0, "binding": 17.37, "selectivity": 12.93, "admet": 4.87, "novelty": 7.18, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.507, "fraction": 1.0}, "binding": {"pIC50": 7.73, "LE": 0.286, "potency_term": 0.91, "efficiency_cap": 0.954}, "selectivity": {"fold": 26.4, "selectivity_term": 0.711, "target_engagement": 0.91}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.211, "caco2-wang": 0.417, "hia-hou": 1.0, "bioavailability-ma": 0.894, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.298, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.119, "dili": 0.197}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "0", "pAct_q10": 6.506832951105211, "aff_pf": -1.7301280498504639, "aff_hs": -0.309076189994812, "repeats_pf": {"runs": 3, "values": [-1.6439, -1.7951, -1.7514], "mean": -1.7301, "spread": 0.1512}, "repeats_hs": {"runs": 3, "values": [-0.3519, -0.3491, -0.2262], "mean": -0.3091, "spread": 0.1257}, "at": 1787974812}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.864, "total_ci95": [74.902, 77.967], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967378, "scored_at": 1787974812, "rank": null}, {"candidate_id": "ODC-6516D6", "res_at": 1787416776, "skeleton": "VKOVAGRRBHTOGC", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········)CCC1", "total": 76.405, "axes": {"activity": 28.18, "binding": 19.8, "selectivity": 12.85, "admet": 4.26, "novelty": 7.37, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.291, "fraction": 0.939}, "binding": {"pIC50": 8.02, "LE": 0.297, "potency_term": 1.0, "efficiency_cap": 0.99}, "selectivity": {"fold": 19.3, "selectivity_term": 0.643, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.156, "caco2-wang": 0.56, "hia-hou": 1.0, "bioavailability-ma": 0.859, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.218, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.715, "herg": 0.064, "dili": 0.074}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.2908188961607046, "aff_pf": -2.0203465620676675, "aff_hs": -0.7349766691525778, "repeats_pf": {"runs": 3, "values": [-1.9922, -2.0433, -2.0256], "mean": -2.0203, "spread": 0.0512}, "repeats_hs": {"runs": 3, "values": [-0.761, -0.5666, -0.8773], "mean": -0.735, "spread": 0.3106}, "at": 1787416776}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.734, "total_ci95": [74.982, 77.771], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787411804, "scored_at": 1787416776, "rank": null}, {"candidate_id": "ODC-4EE415", "res_at": 1787102614, "skeleton": "FEMZCSKVYKZZST", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 76.398, "axes": {"activity": 30.0, "binding": 15.31, "selectivity": 15.54, "admet": 4.41, "novelty": 6.84, "synthesis": 4.3}, "detail": {"activity": {"pAct_q10": 6.674, "fraction": 1.0}, "binding": {"pIC50": 7.33, "LE": 0.295, "potency_term": 0.777, "efficiency_cap": 0.985}, "selectivity": {"fold": 99.9, "selectivity_term": 1.0, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.108, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.615, "herg": 0.05, "dili": 0.17}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.99}}, "run": {"gpu": "3", "pAct_q10": 6.674432692501114, "aff_pf": -1.3317720890045166, "aff_hs": 0.66779092947642, "repeats_pf": {"runs": 3, "values": [-1.2559, -1.4678, -1.2716], "mean": -1.3318, "spread": 0.2118}, "repeats_hs": {"runs": 3, "values": [0.6424, 0.7097, 0.6514], "mean": 0.6678, "spread": 0.0673}, "at": 1787102614}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.978, "total_ci95": [74.648, 77.487], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787101095, "scored_at": 1787102614, "rank": null}, {"candidate_id": "ODC-0D6DAE", "res_at": 1787503693, "skeleton": "IZRNNOSSVQMNRW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········)CCC1", "total": 76.381, "axes": {"activity": 25.54, "binding": 19.38, "selectivity": 16.37, "admet": 4.27, "novelty": 7.29, "synthesis": 3.53}, "detail": {"activity": {"pAct_q10": 6.132, "fraction": 0.851}, "binding": {"pIC50": 8.06, "LE": 0.291, "potency_term": 1.0, "efficiency_cap": 0.969}, "selectivity": {"fold": 43.3, "selectivity_term": 0.818, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.531, "hia-hou": 1.0, "bioavailability-ma": 0.962, "pgp-broccatelli": 0.082, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.756, "herg": 0.05, "dili": 0.087}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.45}}, "run": {"gpu": "3", "pAct_q10": 6.132361581076217, "aff_pf": -2.0633088747660318, "aff_hs": -0.42642926176389057, "repeats_pf": {"runs": 3, "values": [-2.0964, -2.008, -2.0855], "mean": -2.0633, "spread": 0.0884}, "repeats_hs": {"runs": 3, "values": [-0.445, -0.2758, -0.5585], "mean": -0.4264, "spread": 0.2827}, "at": 1787503693}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.767, "total_ci95": [75.017, 77.887], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497688, "scored_at": 1787503693, "rank": null}, {"candidate_id": "ODC-F446CF", "res_at": 1787587340, "skeleton": "KLIKXNLWSZEMKT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 76.374, "axes": {"activity": 25.84, "binding": 17.71, "selectivity": 18.1, "admet": 5.13, "novelty": 6.32, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 6.151, "fraction": 0.861}, "binding": {"pIC50": 7.71, "LE": 0.294, "potency_term": 0.905, "efficiency_cap": 0.979}, "selectivity": {"fold": 227.1, "selectivity_term": 1.0, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.448, "caco2-wang": 0.283, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.604, "cyp2c9-veith": 0.257, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.707, "herg": 0.05, "dili": 0.203}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.42}}, "run": {"gpu": "3", "pAct_q10": 6.150693167585134, "aff_pf": -1.714525818824768, "aff_hs": 0.6416778167088827, "repeats_pf": {"runs": 3, "values": [-1.687, -1.7521, -1.7045], "mean": -1.7145, "spread": 0.0652}, "repeats_hs": {"runs": 3, "values": [0.75, 0.5268, 0.6482], "mean": 0.6417, "spread": 0.2231}, "at": 1787587340}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.365, "total_ci95": [75.879, 77.233], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583653, "scored_at": 1787587340, "rank": null}, {"candidate_id": "ODC-DD9224", "res_at": 1787490027, "skeleton": "ZHEJRJSBWMDIGR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········l)CC1", "total": 76.341, "axes": {"activity": 29.19, "binding": 19.21, "selectivity": 12.97, "admet": 4.32, "novelty": 6.64, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 6.352, "fraction": 0.973}, "binding": {"pIC50": 7.88, "LE": 0.308, "potency_term": 0.96, "efficiency_cap": 1.0}, "selectivity": {"fold": 22.4, "selectivity_term": 0.675, "target_engagement": 0.96}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.253, "caco2-wang": 0.493, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.264}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.351547543024773, "aff_pf": -1.8811344305674236, "aff_hs": -0.5306893189748129, "repeats_pf": {"runs": 3, "values": [-1.8611, -1.8596, -1.9228], "mean": -1.8811, "spread": 0.0632}, "repeats_hs": {"runs": 3, "values": [-0.5682, -0.6206, -0.4032], "mean": -0.5307, "spread": 0.2174}, "at": 1787490027}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.66, "total_ci95": [75.215, 77.767], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787489348, "scored_at": 1787490027, "rank": null}, {"candidate_id": "ODC-BF77F1", "res_at": 1787487698, "skeleton": "GULMEZYQAMWADQ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCC··········2)CC1", "total": 76.324, "axes": {"activity": 28.58, "binding": 18.76, "selectivity": 13.61, "admet": 4.86, "novelty": 6.87, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.315, "fraction": 0.953}, "binding": {"pIC50": 7.89, "LE": 0.292, "potency_term": 0.963, "efficiency_cap": 0.974}, "selectivity": {"fold": 25.9, "selectivity_term": 0.706, "target_engagement": 0.963}, "admet": {"geometric_mean": 0.34, "per_endpoint": {"solubility-aqsoldb": 0.213, "caco2-wang": 0.596, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.379, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.768, "herg": 0.125, "dili": 0.082}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.314567008808047, "aff_pf": -1.8899061282475789, "aff_hs": -0.47700680295626324, "repeats_pf": {"runs": 3, "values": [-1.7092, -1.9638, -1.9967], "mean": -1.8899, "spread": 0.2874}, "repeats_hs": {"runs": 3, "values": [-0.5479, -0.2243, -0.6588], "mean": -0.477, "spread": 0.4345}, "at": 1787487698}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.073, "total_ci95": [72.684, 80.486], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787485447, "scored_at": 1787487698, "rank": null}, {"candidate_id": "ODC-101493", "res_at": 1787938844, "skeleton": "PJMCWMPZWFTVMS", "hf_user": "1Dmeds", "display_name": "ODC26-S1-X02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········C)CC1", "total": 76.3, "axes": {"activity": 28.92, "binding": 18.42, "selectivity": 14.02, "admet": 3.93, "novelty": 7.35, "synthesis": 3.65}, "detail": {"activity": {"pAct_q10": 6.335, "fraction": 0.964}, "binding": {"pIC50": 7.79, "LE": 0.297, "potency_term": 0.931, "efficiency_cap": 0.989}, "selectivity": {"fold": 32.0, "selectivity_term": 0.753, "target_engagement": 0.931}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.166, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 0.956, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.122}}, "novelty": {"max_tanimoto": 0.237, "novelty": 0.763}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 6.335215951898518, "aff_pf": -1.794450084368388, "aff_hs": -0.28907368580500287, "repeats_pf": {"runs": 3, "values": [-1.8669, -1.6855, -1.831], "mean": -1.7945, "spread": 0.1814}, "repeats_hs": {"runs": 3, "values": [-0.3644, -0.1249, -0.378], "mean": -0.2891, "spread": 0.2531}, "at": 1787938844}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.18, "total_ci95": [74.138, 78.483], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787927637, "scored_at": 1787938844, "rank": null}, {"candidate_id": "ODC-26CF9F", "res_at": 1787937928, "skeleton": "CCHNVTPVPJGYFO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W17", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········CCCC1", "total": 76.129, "axes": {"activity": 30.0, "binding": 15.97, "selectivity": 14.75, "admet": 4.29, "novelty": 7.21, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.507, "fraction": 1.0}, "binding": {"pIC50": 7.57, "LE": 0.28, "potency_term": 0.855, "efficiency_cap": 0.934}, "selectivity": {"fold": 53.0, "selectivity_term": 0.862, "target_engagement": 0.855}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.309, "caco2-wang": 0.335, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.057, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.25}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "0", "pAct_q10": 6.506654554265228, "aff_pf": -1.5656993389129639, "aff_hs": 0.15870773792266846, "repeats_pf": {"runs": 3, "values": [-1.5461, -1.6208, -1.5302], "mean": -1.5657, "spread": 0.0906}, "repeats_hs": {"runs": 3, "values": [0.2553, 0.081, 0.1398], "mean": 0.1587, "spread": 0.1742}, "at": 1787937928}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.635, "total_ci95": [75.027, 77.56], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925682, "scored_at": 1787937928, "rank": null}, {"candidate_id": "ODC-15AC12", "res_at": 1787978591, "skeleton": "VIBXNHLXLVXWDK", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-08", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 76.004, "axes": {"activity": 30.0, "binding": 19.22, "selectivity": 10.83, "admet": 4.62, "novelty": 7.14, "synthesis": 4.2}, "detail": {"activity": {"pAct_q10": 6.615, "fraction": 1.0}, "binding": {"pIC50": 7.88, "LE": 0.309, "potency_term": 0.961, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.4, "selectivity_term": 0.563, "target_engagement": 0.961}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.263, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.705, "herg": 0.056, "dili": 0.057}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 6.614611235366457, "aff_pf": -1.8830751180648804, "aff_hs": -0.7564154863357544, "repeats_pf": {"runs": 3, "values": [-1.8878, -1.8934, -1.868], "mean": -1.8831, "spread": 0.0254}, "repeats_hs": {"runs": 3, "values": [-1.0362, -0.6958, -0.5373], "mean": -0.7564, "spread": 0.4988}, "at": 1787978591}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.147, "total_ci95": [74.241, 78.247], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967408, "scored_at": 1787978591, "rank": null}, {"candidate_id": "ODC-EE0E75", "res_at": 1787355566, "skeleton": "SMBFYKSXIGHBAW", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCC··········CCCC1", "total": 75.944, "axes": {"activity": 30.0, "binding": 18.81, "selectivity": 12.18, "admet": 3.74, "novelty": 7.12, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.497, "fraction": 1.0}, "binding": {"pIC50": 7.9, "LE": 0.292, "potency_term": 0.965, "efficiency_cap": 0.974}, "selectivity": {"fold": 18.3, "selectivity_term": 0.631, "target_engagement": 0.965}, "admet": {"geometric_mean": 0.249, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.435, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.62, "herg": 0.067, "dili": 0.164}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 6.496864360794438, "aff_pf": -1.8950307766596477, "aff_hs": -0.6332731942335764, "repeats_pf": {"runs": 3, "values": [-2.0275, -1.879, -1.7787], "mean": -1.895, "spread": 0.2488}, "repeats_hs": {"runs": 3, "values": [-0.586, -0.455, -0.8588], "mean": -0.6333, "spread": 0.4038}, "at": 1787355566}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.52, "total_ci95": [73.235, 79.195], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787353624, "scored_at": 1787355566, "rank": null}, {"candidate_id": "ODC-E6A49B", "res_at": 1787980088, "skeleton": "YNYQCXTYFNZQDA", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-10", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········N)CC1", "total": 75.856, "axes": {"activity": 30.0, "binding": 17.57, "selectivity": 12.28, "admet": 4.57, "novelty": 7.56, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.407, "fraction": 1.0}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.918, "efficiency_cap": 0.957}, "selectivity": {"fold": 21.8, "selectivity_term": 0.669, "target_engagement": 0.918}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 0.342, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.163, "cyp2c9-veith": 0.146, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.57, "herg": 0.052, "dili": 0.108}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.407263765599136, "aff_pf": -1.7536497116088867, "aff_hs": -0.4161122739315033, "repeats_pf": {"runs": 3, "values": [-1.6872, -1.7775, -1.7962], "mean": -1.7536, "spread": 0.109}, "repeats_hs": {"runs": 3, "values": [-0.5202, -0.3183, -0.4098], "mean": -0.4161, "spread": 0.2019}, "at": 1787980088}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.736, "total_ci95": [74.244, 77.297], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967420, "scored_at": 1787980088, "rank": null}, {"candidate_id": "ODC-325A47", "res_at": 1787610114, "skeleton": "OKCKTYZRKCJHHB", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)CCC1", "total": 75.834, "axes": {"activity": 28.42, "binding": 17.47, "selectivity": 14.8, "admet": 4.6, "novelty": 6.69, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.305, "fraction": 0.947}, "binding": {"pIC50": 7.69, "LE": 0.293, "potency_term": 0.896, "efficiency_cap": 0.975}, "selectivity": {"fold": 44.9, "selectivity_term": 0.826, "target_engagement": 0.896}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.22, "caco2-wang": 0.47, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.387, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.175}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.305254940125311, "aff_pf": -1.6873515049616497, "aff_hs": -0.03549961745738983, "repeats_pf": {"runs": 3, "values": [-1.6933, -1.6852, -1.6836], "mean": -1.6874, "spread": 0.0097}, "repeats_hs": {"runs": 3, "values": [-0.0392, -0.2636, 0.1963], "mean": -0.0355, "spread": 0.46}, "at": 1787610114}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.95, "total_ci95": [74.387, 77.975], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787609582, "scored_at": 1787610114, "rank": null}, {"candidate_id": "ODC-717405", "res_at": 1787932238, "skeleton": "PXZNGNDHTVIIKU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W19", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)CCC1", "total": 75.822, "axes": {"activity": 29.89, "binding": 16.79, "selectivity": 13.12, "admet": 5.03, "novelty": 7.07, "synthesis": 3.94}, "detail": {"activity": {"pAct_q10": 6.393, "fraction": 0.996}, "binding": {"pIC50": 7.61, "LE": 0.29, "potency_term": 0.87, "efficiency_cap": 0.965}, "selectivity": {"fold": 32.2, "selectivity_term": 0.754, "target_engagement": 0.87}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.31, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.346}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.393120666642011, "aff_pf": -1.6087137460708618, "aff_hs": -0.10047571857770284, "repeats_pf": {"runs": 3, "values": [-1.5787, -1.5677, -1.6797], "mean": -1.6087, "spread": 0.112}, "repeats_hs": {"runs": 3, "values": [-0.1773, -0.1043, -0.0199], "mean": -0.1005, "spread": 0.1574}, "at": 1787932238}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.704, "total_ci95": [74.543, 77.179], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925702, "scored_at": 1787932238, "rank": null}, {"candidate_id": "ODC-26C963", "res_at": 1787488684, "skeleton": "POUVICXTJMKOCB", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 75.709, "axes": {"activity": 30.0, "binding": 18.16, "selectivity": 11.98, "admet": 4.17, "novelty": 7.47, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.416, "fraction": 1.0}, "binding": {"pIC50": 7.82, "LE": 0.29, "potency_term": 0.94, "efficiency_cap": 0.965}, "selectivity": {"fold": 18.8, "selectivity_term": 0.637, "target_engagement": 0.94}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.578, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.655, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.4158292513898685, "aff_pf": -1.8214490016301472, "aff_hs": -0.5478501915931702, "repeats_pf": {"runs": 3, "values": [-1.9602, -1.7439, -1.7602], "mean": -1.8214, "spread": 0.2163}, "repeats_hs": {"runs": 3, "values": [-0.5317, -0.5905, -0.5213], "mean": -0.5479, "spread": 0.0692}, "at": 1787488684}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.33, "total_ci95": [73.903, 78.705], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787485522, "scored_at": 1787488684, "rank": null}, {"candidate_id": "ODC-29CAA7", "res_at": 1787486505, "skeleton": "DRWHJDJYATTWTI", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCC··········2)CC1", "total": 75.642, "axes": {"activity": 27.58, "binding": 18.11, "selectivity": 15.1, "admet": 4.42, "novelty": 6.89, "synthesis": 3.54}, "detail": {"activity": {"pAct_q10": 6.255, "fraction": 0.919}, "binding": {"pIC50": 7.82, "LE": 0.289, "potency_term": 0.939, "efficiency_cap": 0.965}, "selectivity": {"fold": 40.6, "selectivity_term": 0.804, "target_engagement": 0.939}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.16, "caco2-wang": 0.6, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.335, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.1, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.254798726253475, "aff_pf": -1.816015323003133, "aff_hs": -0.20741852124532065, "repeats_pf": {"runs": 3, "values": [-1.7962, -1.8627, -1.7891], "mean": -1.816, "spread": 0.0736}, "repeats_hs": {"runs": 3, "values": [-0.1923, -0.2117, -0.2183], "mean": -0.2074, "spread": 0.026}, "at": 1787486505}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.442, "total_ci95": [74.992, 76.794], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787485367, "scored_at": 1787486505, "rank": null}, {"candidate_id": "ODC-C07510", "res_at": 1787284217, "skeleton": "CPIXUMZZNHBDBZ", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········CCCC1", "total": 75.603, "axes": {"activity": 30.0, "binding": 16.0, "selectivity": 13.99, "admet": 4.34, "novelty": 7.14, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 6.661, "fraction": 1.0}, "binding": {"pIC50": 7.46, "LE": 0.292, "potency_term": 0.822, "efficiency_cap": 0.974}, "selectivity": {"fold": 50.5, "selectivity_term": 0.852, "target_engagement": 0.822}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.228, "caco2-wang": 0.577, "hia-hou": 1.0, "bioavailability-ma": 0.971, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.178, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.677, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.661396415268152, "aff_pf": -1.4645979801813762, "aff_hs": 0.2385053038597107, "repeats_pf": {"runs": 3, "values": [-1.585, -1.3956, -1.4132], "mean": -1.4646, "spread": 0.1894}, "repeats_hs": {"runs": 3, "values": [0.1317, 0.3862, 0.1976], "mean": 0.2385, "spread": 0.2545}, "at": 1787284217}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.323, "total_ci95": [73.518, 78.376], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787280998, "scored_at": 1787284217, "rank": null}, {"candidate_id": "ODC-8DC45A", "res_at": 1787086876, "skeleton": "HDHGNOMUHIEQHZ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 75.598, "axes": {"activity": 30.0, "binding": 17.14, "selectivity": 13.09, "admet": 4.0, "novelty": 7.24, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 6.506, "fraction": 1.0}, "binding": {"pIC50": 7.7, "LE": 0.285, "potency_term": 0.901, "efficiency_cap": 0.951}, "selectivity": {"fold": 28.3, "selectivity_term": 0.726, "target_engagement": 0.901}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.083, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 0.932, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.203, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.627, "herg": 0.119, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.505603646035781, "aff_pf": -1.704440673192342, "aff_hs": -0.2522817353407542, "repeats_pf": {"runs": 3, "values": [-1.5031, -1.8643, -1.7459], "mean": -1.7044, "spread": 0.3612}, "repeats_hs": {"runs": 3, "values": [-0.1124, -0.3097, -0.3348], "mean": -0.2523, "spread": 0.2224}, "at": 1787086876}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.975, "total_ci95": [72.248, 79.368], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787083765, "scored_at": 1787086876, "rank": null}, {"candidate_id": "ODC-0716E9", "res_at": 1787512424, "skeleton": "UBPQCDSLGCZPRN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········)CCC1", "total": 75.522, "axes": {"activity": 29.41, "binding": 17.22, "selectivity": 13.4, "admet": 4.36, "novelty": 7.33, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.365, "fraction": 0.98}, "binding": {"pIC50": 7.71, "LE": 0.286, "potency_term": 0.905, "efficiency_cap": 0.952}, "selectivity": {"fold": 30.3, "selectivity_term": 0.741, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.296, "per_endpoint": {"solubility-aqsoldb": 0.187, "caco2-wang": 0.547, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.278, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.05, "dili": 0.062}}, "novelty": {"max_tanimoto": 0.252, "novelty": 0.748}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.364771428710671, "aff_pf": -1.7136748631795247, "aff_hs": -0.23185314734776816, "repeats_pf": {"runs": 3, "values": [-1.6246, -1.7386, -1.7778], "mean": -1.7137, "spread": 0.1532}, "repeats_hs": {"runs": 3, "values": [-0.3083, -0.0256, -0.3617], "mean": -0.2319, "spread": 0.3361}, "at": 1787512424}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.232, "total_ci95": [73.385, 77.717], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787512229, "scored_at": 1787512424, "rank": null}, {"candidate_id": "ODC-08D845", "res_at": 1787548149, "skeleton": "IRXXOFTWISULJF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········C)CC1", "total": 75.512, "axes": {"activity": 29.06, "binding": 19.06, "selectivity": 11.87, "admet": 4.39, "novelty": 7.27, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.344, "fraction": 0.969}, "binding": {"pIC50": 7.87, "LE": 0.299, "potency_term": 0.955, "efficiency_cap": 0.998}, "selectivity": {"fold": 17.5, "selectivity_term": 0.621, "target_engagement": 0.955}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.204, "caco2-wang": 0.615, "hia-hou": 1.0, "bioavailability-ma": 0.99, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.163, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.678, "herg": 0.05, "dili": 0.11}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.343751839812159, "aff_pf": -1.8654940525690715, "aff_hs": -0.6232162515322367, "repeats_pf": {"runs": 3, "values": [-1.9271, -1.8066, -1.8628], "mean": -1.8655, "spread": 0.1205}, "repeats_hs": {"runs": 3, "values": [-0.5316, -0.6645, -0.6735], "mean": -0.6232, "spread": 0.1419}, "at": 1787548149}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.753, "total_ci95": [74.159, 76.934], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527194, "scored_at": 1787548149, "rank": null}, {"candidate_id": "ODC-4546D2", "res_at": 1787980795, "skeleton": "LSGKSBKMDHNACP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-11", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········C)CC1", "total": 75.222, "axes": {"activity": 28.86, "binding": 18.2, "selectivity": 13.24, "admet": 3.84, "novelty": 7.24, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.331, "fraction": 0.962}, "binding": {"pIC50": 7.83, "LE": 0.29, "potency_term": 0.942, "efficiency_cap": 0.966}, "selectivity": {"fold": 25.5, "selectivity_term": 0.703, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.266, "per_endpoint": {"solubility-aqsoldb": 0.071, "caco2-wang": 0.587, "hia-hou": 1.0, "bioavailability-ma": 0.985, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.197, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.704, "herg": 0.05, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "0", "pAct_q10": 6.331488996935182, "aff_pf": -1.8261843919754028, "aff_hs": -0.42030609647432965, "repeats_pf": {"runs": 3, "values": [-1.8138, -1.8956, -1.7691], "mean": -1.8262, "spread": 0.1265}, "repeats_hs": {"runs": 3, "values": [-0.3983, -0.4452, -0.4175], "mean": -0.4203, "spread": 0.0469}, "at": 1787980795}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.716, "total_ci95": [74.033, 76.918], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967427, "scored_at": 1787980795, "rank": null}, {"candidate_id": "ODC-46507D", "res_at": 1787549794, "skeleton": "GSRYGCWSVCAJHS", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········)CCC1", "total": 75.116, "axes": {"activity": 26.72, "binding": 20.0, "selectivity": 12.95, "admet": 4.43, "novelty": 6.93, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.203, "fraction": 0.891}, "binding": {"pIC50": 8.14, "LE": 0.31, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.7, "selectivity_term": 0.648, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.141, "caco2-wang": 0.438, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.224, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.723, "herg": 0.05, "dili": 0.201}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.202970670271488, "aff_pf": -2.141810735066732, "aff_hs": -0.8467337886492411, "repeats_pf": {"runs": 3, "values": [-2.1535, -2.121, -2.1509], "mean": -2.1418, "spread": 0.0324}, "repeats_hs": {"runs": 3, "values": [-0.3277, -1.4317, -0.7808], "mean": -0.8467, "spread": 1.104}, "at": 1787549794}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.532, "total_ci95": [69.375, 80.198], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527253, "scored_at": 1787549794, "rank": null}, {"candidate_id": "ODC-E2561B", "res_at": 1788300677, "skeleton": "ZBJOPONIAOYFIN", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-E03-ethynyl-C6ene", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········C)CC1", "total": 75.01, "axes": {"activity": 30.0, "binding": 18.26, "selectivity": 11.48, "admet": 4.1, "novelty": 7.47, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.585, "fraction": 1.0}, "binding": {"pIC50": 7.83, "LE": 0.29, "potency_term": 0.944, "efficiency_cap": 0.967}, "selectivity": {"fold": 16.4, "selectivity_term": 0.608, "target_engagement": 0.944}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.144, "caco2-wang": 0.477, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.271}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.41}}, "run": {"gpu": "0", "pAct_q10": 6.5845517295902525, "aff_pf": -1.833047906557719, "aff_hs": -0.6171290874481201, "repeats_pf": {"runs": 3, "values": [-1.932, -1.8207, -1.7465], "mean": -1.833, "spread": 0.1854}, "repeats_hs": {"runs": 3, "values": [-0.5847, -0.7169, -0.5498], "mean": -0.6171, "spread": 0.1671}, "at": 1788300677}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.062, "total_ci95": [73.007, 77.141], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788272018, "scored_at": 1788300677, "rank": null}, {"candidate_id": "ODC-878569", "res_at": 1787473594, "skeleton": "WOLHFVAUAKXUCU", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=CCCCC··········l)CC1", "total": 74.385, "axes": {"activity": 27.74, "binding": 16.08, "selectivity": 16.12, "admet": 4.22, "novelty": 6.54, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.264, "fraction": 0.925}, "binding": {"pIC50": 7.53, "LE": 0.286, "potency_term": 0.842, "efficiency_cap": 0.955}, "selectivity": {"fold": 82.3, "selectivity_term": 0.958, "target_engagement": 0.842}, "admet": {"geometric_mean": 0.305, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.447, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.648, "herg": 0.05, "dili": 0.226}}, "novelty": {"max_tanimoto": 0.292, "novelty": 0.708}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.264135977174216, "aff_pf": -1.5258949597676594, "aff_hs": 0.38924236843983334, "repeats_pf": {"runs": 3, "values": [-1.4531, -1.6257, -1.4989], "mean": -1.5259, "spread": 0.1725}, "repeats_hs": {"runs": 3, "values": [0.5824, -0.1063, 0.6916], "mean": 0.3892, "spread": 0.7979}, "at": 1787473594}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.614, "total_ci95": [70.535, 76.621], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787473396, "scored_at": 1787473594, "rank": null}, {"candidate_id": "ODC-363372", "res_at": 1787423957, "skeleton": "PENMGLFQVGSLLG", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 74.361, "axes": {"activity": 18.67, "binding": 20.0, "selectivity": 20.0, "admet": 4.74, "novelty": 6.82, "synthesis": 4.13}, "detail": {"activity": {"pAct_q10": 5.72, "fraction": 0.622}, "binding": {"pIC50": 8.06, "LE": 0.325, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 232.3, "selectivity_term": 1.0, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.316, "per_endpoint": {"solubility-aqsoldb": 0.347, "caco2-wang": 0.469, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.088, "dili": 0.21}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 5.720354619377801, "aff_pf": -2.0608816941579184, "aff_hs": 0.30508434772491455, "repeats_pf": {"runs": 3, "values": [-2.035, -2.1347, -2.0129], "mean": -2.0609, "spread": 0.1217}, "repeats_hs": {"runs": 3, "values": [0.3017, 0.375, 0.2385], "mean": 0.3051, "spread": 0.1365}, "at": 1787423957}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.0, "total_ci95": [74.361, 74.361], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787423774, "scored_at": 1787423957, "rank": null}, {"candidate_id": "ODC-707FA2", "res_at": 1787361239, "skeleton": "XGWGBBXWNKSUOH", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 74.197, "axes": {"activity": 30.0, "binding": 18.97, "selectivity": 9.45, "admet": 4.67, "novelty": 7.03, "synthesis": 4.08}, "detail": {"activity": {"pAct_q10": 6.7, "fraction": 1.0}, "binding": {"pIC50": 7.86, "LE": 0.299, "potency_term": 0.952, "efficiency_cap": 0.996}, "selectivity": {"fold": 9.8, "selectivity_term": 0.496, "target_engagement": 0.952}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.236, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.096}}, "novelty": {"max_tanimoto": 0.297, "novelty": 0.703}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.700315291009009, "aff_pf": -1.8550657828648884, "aff_hs": -0.8622134129206339, "repeats_pf": {"runs": 3, "values": [-1.8589, -1.8864, -1.8199], "mean": -1.8551, "spread": 0.0665}, "repeats_hs": {"runs": 3, "values": [-0.9484, -0.9895, -0.6487], "mean": -0.8622, "spread": 0.3409}, "at": 1787361239}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.879, "total_ci95": [72.707, 75.972], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787357922, "scored_at": 1787361239, "rank": null}, {"candidate_id": "ODC-ACB030", "res_at": 1788298116, "skeleton": "NYEYJHMWMYQXKT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-C-long-az-n-C8-octyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········N)CC1", "total": 73.98, "axes": {"activity": 30.0, "binding": 15.84, "selectivity": 12.56, "admet": 4.37, "novelty": 7.18, "synthesis": 4.03}, "detail": {"activity": {"pAct_q10": 6.485, "fraction": 1.0}, "binding": {"pIC50": 7.6, "LE": 0.274, "potency_term": 0.867, "efficiency_cap": 0.914}, "selectivity": {"fold": 28.1, "selectivity_term": 0.724, "target_engagement": 0.867}, "admet": {"geometric_mean": 0.291, "per_endpoint": {"solubility-aqsoldb": 0.214, "caco2-wang": 0.271, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.632, "herg": 0.121, "dili": 0.118}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "3", "pAct_q10": 6.48478339149512, "aff_pf": -1.6014496088027954, "aff_hs": -0.153076171875, "repeats_pf": {"runs": 3, "values": [-1.5766, -1.7211, -1.5066], "mean": -1.6014, "spread": 0.2145}, "repeats_hs": {"runs": 3, "values": [-0.4065, 0.5192, -0.572], "mean": -0.1531, "spread": 1.0912}, "at": 1788298116}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 2.422, "total_ci95": [69.848, 78.763], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271713, "scored_at": 1788298116, "rank": null}, {"candidate_id": "ODC-D55224", "res_at": 1787932808, "skeleton": "YIFBBLZICZCDRC", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W21", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)CCC1", "total": 73.862, "axes": {"activity": 26.34, "binding": 18.94, "selectivity": 13.36, "admet": 4.36, "novelty": 7.17, "synthesis": 3.68}, "detail": {"activity": {"pAct_q10": 6.181, "fraction": 0.878}, "binding": {"pIC50": 7.91, "LE": 0.293, "potency_term": 0.97, "efficiency_cap": 0.976}, "selectivity": {"fold": 23.8, "selectivity_term": 0.689, "target_engagement": 0.97}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.178, "caco2-wang": 0.573, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.422, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.673, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.180666747747631, "aff_pf": -1.9098964929580688, "aff_hs": -0.532512495915095, "repeats_pf": {"runs": 3, "values": [-1.9012, -1.8785, -1.95], "mean": -1.9099, "spread": 0.0715}, "repeats_hs": {"runs": 3, "values": [-0.4722, -0.5543, -0.571], "mean": -0.5325, "spread": 0.0988}, "at": 1787932808}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.567, "total_ci95": [72.825, 75.087], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925714, "scored_at": 1787932808, "rank": null}, {"candidate_id": "ODC-C2EAF7", "res_at": 1787241666, "skeleton": "IOAOMWWPLHAPJP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········F)CC1", "total": 73.761, "axes": {"activity": 30.0, "binding": 19.53, "selectivity": 8.37, "admet": 4.9, "novelty": 6.97, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.666, "fraction": 1.0}, "binding": {"pIC50": 7.93, "LE": 0.302, "potency_term": 0.976, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.976}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.183, "caco2-wang": 0.602, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.083, "cyp2c9-veith": 0.33, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.786, "herg": 0.05, "dili": 0.101}}, "novelty": {"max_tanimoto": 0.303, "novelty": 0.697}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.666195934929708, "aff_pf": -1.9290683269500732, "aff_hs": -1.0717826684315999, "repeats_pf": {"runs": 3, "values": [-1.9672, -1.8734, -1.9467], "mean": -1.9291, "spread": 0.0938}, "repeats_hs": {"runs": 3, "values": [-1.2035, -0.9715, -1.0403], "mean": -1.0718, "spread": 0.232}, "at": 1787241666}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.665, "total_ci95": [72.637, 75.222], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787238003, "scored_at": 1787241666, "rank": null}, {"candidate_id": "ODC-51D06B", "res_at": 1787935623, "skeleton": "FOJRIHRPWBZUHB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W08", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········C)CC1", "total": 73.738, "axes": {"activity": 30.0, "binding": 15.63, "selectivity": 12.33, "admet": 4.65, "novelty": 7.24, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.563, "fraction": 1.0}, "binding": {"pIC50": 7.47, "LE": 0.284, "potency_term": 0.824, "efficiency_cap": 0.948}, "selectivity": {"fold": 31.3, "selectivity_term": 0.748, "target_engagement": 0.824}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.307, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.071, "dili": 0.268}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.563274116100741, "aff_pf": -1.4727096557617188, "aff_hs": 0.02287808060646057, "repeats_pf": {"runs": 3, "values": [-1.3768, -1.55, -1.4913], "mean": -1.4727, "spread": 0.1732}, "repeats_hs": {"runs": 3, "values": [-0.0032, 0.1203, -0.0485], "mean": 0.0229, "spread": 0.1688}, "at": 1787935623}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.942, "total_ci95": [71.821, 75.348], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925571, "scored_at": 1787935623, "rank": null}, {"candidate_id": "ODC-BCAA13", "res_at": 1787984313, "skeleton": "LMZXRPAGSBQVSX", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-18", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 73.733, "axes": {"activity": 30.0, "binding": 16.64, "selectivity": 10.71, "admet": 5.18, "novelty": 6.84, "synthesis": 4.37}, "detail": {"activity": {"pAct_q10": 6.636, "fraction": 1.0}, "binding": {"pIC50": 7.5, "LE": 0.302, "potency_term": 0.832, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.3, "selectivity_term": 0.643, "target_engagement": 0.832}, "admet": {"geometric_mean": 0.345, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 0.448, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.132, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.67, "herg": 0.137, "dili": 0.183}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 6.6363687998317005, "aff_pf": -1.4962692658106487, "aff_hs": -0.20961654682954153, "repeats_pf": {"runs": 3, "values": [-1.4784, -1.4909, -1.5196], "mean": -1.4963, "spread": 0.0412}, "repeats_hs": {"runs": 3, "values": [0.0137, -0.4368, -0.2058], "mean": -0.2096, "spread": 0.4505}, "at": 1787984313}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.865, "total_ci95": [72.149, 75.592], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967456, "scored_at": 1787984313, "rank": null}, {"candidate_id": "ODC-875516", "res_at": 1788302403, "skeleton": "MDMUTGJJVXYKEO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-E05-ethynyl-spiro5-nC5", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 73.611, "axes": {"activity": 30.0, "binding": 17.49, "selectivity": 10.92, "admet": 4.03, "novelty": 7.36, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.66, "fraction": 1.0}, "binding": {"pIC50": 7.8, "LE": 0.281, "potency_term": 0.933, "efficiency_cap": 0.937}, "selectivity": {"fold": 14.8, "selectivity_term": 0.585, "target_engagement": 0.933}, "admet": {"geometric_mean": 0.268, "per_endpoint": {"solubility-aqsoldb": 0.148, "caco2-wang": 0.465, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.066, "dili": 0.169}}, "novelty": {"max_tanimoto": 0.264, "novelty": 0.736}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.660046648659945, "aff_pf": -1.7985553741455078, "aff_hs": -0.6277411977450053, "repeats_pf": {"runs": 3, "values": [-1.8824, -1.7746, -1.7387], "mean": -1.7986, "spread": 0.1437}, "repeats_hs": {"runs": 3, "values": [-0.7289, -0.963, -0.1913], "mean": -0.6277, "spread": 0.7717}, "at": 1788302403}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.961, "total_ci95": [70.237, 78.52], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788272031, "scored_at": 1788302403, "rank": null}, {"candidate_id": "ODC-B8AA9D", "res_at": 1787500628, "skeleton": "WRUIFOCWCHIZEB", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 73.551, "axes": {"activity": 30.0, "binding": 14.51, "selectivity": 12.7, "admet": 5.05, "novelty": 7.4, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.453, "fraction": 1.0}, "binding": {"pIC50": 7.34, "LE": 0.279, "potency_term": 0.779, "efficiency_cap": 0.931}, "selectivity": {"fold": 42.6, "selectivity_term": 0.815, "target_engagement": 0.779}, "admet": {"geometric_mean": 0.337, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.23, "cyp2c9-veith": 0.151, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.731, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.452841808432958, "aff_pf": -1.3381458918253581, "aff_hs": 0.29093824823697406, "repeats_pf": {"runs": 3, "values": [-1.2624, -1.3, -1.452], "mean": -1.3381, "spread": 0.1896}, "repeats_hs": {"runs": 3, "values": [0.3511, 0.3985, 0.1232], "mean": 0.2909, "spread": 0.2753}, "at": 1787500628}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.149, "total_ci95": [71.518, 76.042], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787493663, "scored_at": 1787500628, "rank": null}, {"candidate_id": "ODC-BA9272", "res_at": 1787936082, "skeleton": "XHCBGCPMXXYKJD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W09", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········CCCC1", "total": 73.503, "axes": {"activity": 30.0, "binding": 17.73, "selectivity": 10.32, "admet": 4.24, "novelty": 7.09, "synthesis": 4.12}, "detail": {"activity": {"pAct_q10": 6.427, "fraction": 1.0}, "binding": {"pIC50": 7.77, "LE": 0.288, "potency_term": 0.924, "efficiency_cap": 0.959}, "selectivity": {"fold": 13.1, "selectivity_term": 0.558, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.145, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.19, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.652, "herg": 0.052, "dili": 0.156}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "0", "pAct_q10": 6.427209994364362, "aff_pf": -1.7725598812103271, "aff_hs": -0.6560257077217102, "repeats_pf": {"runs": 3, "values": [-1.7326, -1.882, -1.703], "mean": -1.7726, "spread": 0.179}, "repeats_hs": {"runs": 3, "values": [-0.7684, -0.5195, -0.6802], "mean": -0.656, "spread": 0.249}, "at": 1787936082}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925584, "scored_at": 1787936082, "rank": null}, {"candidate_id": "ODC-4731B9", "res_at": 1787500832, "skeleton": "ISXHIYQTLUBNFZ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 73.376, "axes": {"activity": 30.0, "binding": 13.89, "selectivity": 12.7, "admet": 5.77, "novelty": 6.93, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.623, "fraction": 1.0}, "binding": {"pIC50": 7.21, "LE": 0.282, "potency_term": 0.738, "efficiency_cap": 0.941}, "selectivity": {"fold": 52.7, "selectivity_term": 0.861, "target_engagement": 0.738}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.377, "caco2-wang": 0.569, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.464, "cyp2c9-veith": 0.321, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.669, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.623378292792829, "aff_pf": -1.2134630680084229, "aff_hs": 0.5079552829265594, "repeats_pf": {"runs": 3, "values": [-1.1576, -1.2481, -1.2347], "mean": -1.2135, "spread": 0.0905}, "repeats_hs": {"runs": 3, "values": [0.6319, 0.584, 0.308], "mean": 0.508, "spread": 0.3239}, "at": 1787500832}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787493673, "scored_at": 1787500832, "rank": null}, {"candidate_id": "ODC-E685BE", "res_at": 1787982425, "skeleton": "SZPRKJDPUQTIKB", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-14", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········N)CC1", "total": 73.156, "axes": {"activity": 30.0, "binding": 15.53, "selectivity": 10.68, "admet": 5.79, "novelty": 7.11, "synthesis": 4.04}, "detail": {"activity": {"pAct_q10": 6.448, "fraction": 1.0}, "binding": {"pIC50": 7.36, "LE": 0.296, "potency_term": 0.786, "efficiency_cap": 0.988}, "selectivity": {"fold": 22.8, "selectivity_term": 0.679, "target_engagement": 0.786}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.472, "caco2-wang": 0.284, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.157, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.58, "herg": 0.05, "dili": 0.266}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 6.447906344760941, "aff_pf": -1.3578178485234578, "aff_hs": 0.0005911588668823242, "repeats_pf": {"runs": 3, "values": [-1.3029, -1.3492, -1.4213], "mean": -1.3578, "spread": 0.1184}, "repeats_hs": {"runs": 3, "values": [-0.296, 0.1521, 0.1456], "mean": 0.0006, "spread": 0.4481}, "at": 1787982425}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967440, "scored_at": 1787982425, "rank": null}, {"candidate_id": "ODC-7AF19F", "res_at": 1787360859, "skeleton": "FKMLBUKFOJFVDA", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 73.132, "axes": {"activity": 30.0, "binding": 18.5, "selectivity": 8.29, "admet": 5.12, "novelty": 7.11, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 6.494, "fraction": 1.0}, "binding": {"pIC50": 7.78, "LE": 0.304, "potency_term": 0.925, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.9, "selectivity_term": 0.448, "target_engagement": 0.925}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.31, "caco2-wang": 0.597, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.219, "cyp2c9-veith": 0.155, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.066}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.493595135656716, "aff_pf": -1.7755308945973713, "aff_hs": -0.8795163234074911, "repeats_pf": {"runs": 3, "values": [-1.7855, -1.7076, -1.8335], "mean": -1.7755, "spread": 0.1259}, "repeats_hs": {"runs": 3, "values": [-0.9219, -0.6307, -1.086], "mean": -0.8795, "spread": 0.4554}, "at": 1787360859}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787357915, "scored_at": 1787360859, "rank": null}, {"candidate_id": "ODC-A1C13E", "res_at": 1787977944, "skeleton": "YOPYBSRWMZLGSD", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-07", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········2)CC1", "total": 72.933, "axes": {"activity": 30.0, "binding": 14.83, "selectivity": 11.83, "admet": 5.04, "novelty": 6.88, "synthesis": 4.36}, "detail": {"activity": {"pAct_q10": 6.648, "fraction": 1.0}, "binding": {"pIC50": 7.33, "LE": 0.287, "potency_term": 0.776, "efficiency_cap": 0.956}, "selectivity": {"fold": 33.5, "selectivity_term": 0.763, "target_engagement": 0.776}, "admet": {"geometric_mean": 0.336, "per_endpoint": {"solubility-aqsoldb": 0.279, "caco2-wang": 0.415, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.147, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.688, "herg": 0.187, "dili": 0.178}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.95}}, "run": {"gpu": "0", "pAct_q10": 6.6482174198472315, "aff_pf": -1.3270128965377808, "aff_hs": 0.19838465750217438, "repeats_pf": {"runs": 3, "values": [-1.2819, -1.3608, -1.3383], "mean": -1.327, "spread": 0.0789}, "repeats_hs": {"runs": 3, "values": [0.1461, 0.2742, 0.1748], "mean": 0.1984, "spread": 0.1281}, "at": 1787977944}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967401, "scored_at": 1787977944, "rank": null}, {"candidate_id": "ODC-A93402", "res_at": 1787138294, "skeleton": "HFOPLILFRBDCMB", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 72.809, "axes": {"activity": 18.54, "binding": 19.54, "selectivity": 19.54, "admet": 4.48, "novelty": 6.74, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 5.712, "fraction": 0.618}, "binding": {"pIC50": 7.93, "LE": 0.31, "potency_term": 0.977, "efficiency_cap": 1.0}, "selectivity": {"fold": 124.7, "selectivity_term": 1.0, "target_engagement": 0.977}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.462, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.727, "herg": 0.105, "dili": 0.199}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 5.7121842216195375, "aff_pf": -1.93105681737264, "aff_hs": 0.16489819685618082, "repeats_pf": {"runs": 3, "values": [-1.8886, -1.97, -1.9345], "mean": -1.9311, "spread": 0.0814}, "repeats_hs": {"runs": 3, "values": [-0.0337, 0.1076, 0.4208], "mean": 0.1649, "spread": 0.4544}, "at": 1787138294}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787135732, "scored_at": 1787138294, "rank": null}, {"candidate_id": "ODC-554B50", "res_at": 1787935162, "skeleton": "VHZZLDDHRJSKAI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W07", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCc1cc(··········C)CC1", "total": 72.595, "axes": {"activity": 30.0, "binding": 15.01, "selectivity": 11.8, "admet": 4.62, "novelty": 7.14, "synthesis": 4.02}, "detail": {"activity": {"pAct_q10": 6.49, "fraction": 1.0}, "binding": {"pIC50": 7.4, "LE": 0.282, "potency_term": 0.8, "efficiency_cap": 0.939}, "selectivity": {"fold": 29.9, "selectivity_term": 0.738, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.513, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.107, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.238}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 6.490127887469351, "aff_pf": -1.3991375366846721, "aff_hs": 0.07643008232116699, "repeats_pf": {"runs": 3, "values": [-1.4259, -1.334, -1.4375], "mean": -1.3991, "spread": 0.1035}, "repeats_hs": {"runs": 3, "values": [0.1062, 0.0058, 0.1173], "mean": 0.0764, "spread": 0.1115}, "at": 1787935162}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925560, "scored_at": 1787935162, "rank": null}, {"candidate_id": "ODC-2F6703", "res_at": 1787138103, "skeleton": "KYFCDUCZWCMPLR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········CCCC1", "total": 72.585, "axes": {"activity": 19.55, "binding": 19.32, "selectivity": 19.32, "admet": 4.3, "novelty": 5.9, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 5.773, "fraction": 0.652}, "binding": {"pIC50": 7.9, "LE": 0.318, "potency_term": 0.966, "efficiency_cap": 1.0}, "selectivity": {"fold": 241.5, "selectivity_term": 1.0, "target_engagement": 0.966}, "admet": {"geometric_mean": 0.297, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.382, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.653, "herg": 0.073, "dili": 0.277}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 5.773058481940834, "aff_pf": -1.8981508413950603, "aff_hs": 0.48470671971638996, "repeats_pf": {"runs": 3, "values": [-1.8574, -1.9376, -1.8994], "mean": -1.8982, "spread": 0.0802}, "repeats_hs": {"runs": 3, "values": [0.4066, 0.3796, 0.6679], "mean": 0.4847, "spread": 0.2883}, "at": 1787138103}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787135722, "scored_at": 1787138103, "rank": null}, {"candidate_id": "ODC-33CA9A", "res_at": 1787941060, "skeleton": "CKVWGPNSLPLQLM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 72.584, "axes": {"activity": 30.0, "binding": 16.56, "selectivity": 10.41, "admet": 4.31, "novelty": 7.41, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.502, "fraction": 1.0}, "binding": {"pIC50": 7.58, "LE": 0.289, "potency_term": 0.861, "efficiency_cap": 0.962}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.861}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.198, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.088, "ld50-zhu": 0.693, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "0", "pAct_q10": 6.502106095782586, "aff_pf": -1.582635482152303, "aff_hs": -0.3732904295126597, "repeats_pf": {"runs": 3, "values": [-1.5884, -1.5814, -1.5781], "mean": -1.5826, "spread": 0.0103}, "repeats_hs": {"runs": 3, "values": [-0.407, -0.3012, -0.4117], "mean": -0.3733, "spread": 0.1104}, "at": 1787941060}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928453, "scored_at": 1787941060, "rank": null}, {"candidate_id": "ODC-EC625C", "res_at": 1787424149, "skeleton": "UKTLBYBXPWMIOT", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 72.434, "axes": {"activity": 17.26, "binding": 19.74, "selectivity": 19.74, "admet": 4.81, "novelty": 6.84, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 5.636, "fraction": 0.575}, "binding": {"pIC50": 7.96, "LE": 0.312, "potency_term": 0.987, "efficiency_cap": 1.0}, "selectivity": {"fold": 219.0, "selectivity_term": 1.0, "target_engagement": 0.987}, "admet": {"geometric_mean": 0.325, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.42, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.194, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.759, "herg": 0.072, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 3.13}}, "run": {"gpu": "3", "pAct_q10": 5.635671051159068, "aff_pf": -1.9607974290847778, "aff_hs": 0.37962586681048077, "repeats_pf": {"runs": 3, "values": [-1.9753, -1.9991, -1.908], "mean": -1.9608, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [0.3872, 0.3337, 0.418], "mean": 0.3796, "spread": 0.0842}, "at": 1787424149}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787423798, "scored_at": 1787424149, "rank": null}, {"candidate_id": "ODC-744943", "res_at": 1787938432, "skeleton": "XXKZAFLQZVDXML", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 72.296, "axes": {"activity": 30.0, "binding": 15.91, "selectivity": 9.24, "admet": 5.78, "novelty": 7.47, "synthesis": 3.9}, "detail": {"activity": {"pAct_q10": 6.475, "fraction": 1.0}, "binding": {"pIC50": 7.51, "LE": 0.286, "potency_term": 0.835, "efficiency_cap": 0.952}, "selectivity": {"fold": 12.8, "selectivity_term": 0.553, "target_engagement": 0.835}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.623, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.459, "cyp2c9-veith": 0.263, "cyp3a4-substrate-carbonmangels": 0.155, "ld50-zhu": 0.816, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "3", "pAct_q10": 6.475105268500556, "aff_pf": -1.5060311953226726, "aff_hs": -0.40030625462532043, "repeats_pf": {"runs": 3, "values": [-1.5229, -1.4656, -1.5296], "mean": -1.506, "spread": 0.064}, "repeats_hs": {"runs": 3, "values": [-0.4292, -0.4331, -0.3387], "mean": -0.4003, "spread": 0.0944}, "at": 1787938432}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929184, "scored_at": 1787938432, "rank": null}, {"candidate_id": "ODC-9AB857", "res_at": 1787985079, "skeleton": "VTZGCMUNCYTSAV", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-19", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········)CCC1", "total": 71.946, "axes": {"activity": 29.67, "binding": 18.69, "selectivity": 7.77, "admet": 4.68, "novelty": 7.16, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.38, "fraction": 0.989}, "binding": {"pIC50": 7.82, "LE": 0.298, "potency_term": 0.942, "efficiency_cap": 0.993}, "selectivity": {"fold": 6.7, "selectivity_term": 0.413, "target_engagement": 0.942}, "admet": {"geometric_mean": 0.315, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.264, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.053, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.601, "herg": 0.05, "dili": 0.179}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "0", "pAct_q10": 6.380044516995258, "aff_pf": -1.824966549873352, "aff_hs": -0.9998335242271423, "repeats_pf": {"runs": 3, "values": [-1.7473, -1.7895, -1.9381], "mean": -1.825, "spread": 0.1908}, "repeats_hs": {"runs": 3, "values": [-1.1415, -0.8459, -1.0121], "mean": -0.9998, "spread": 0.2955}, "at": 1787985079}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967462, "scored_at": 1787985079, "rank": null}, {"candidate_id": "ODC-DF97B6", "res_at": 1787977156, "skeleton": "LMHOSGMUPXYTQM", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-06", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········)CCC1", "total": 71.915, "axes": {"activity": 28.16, "binding": 17.68, "selectivity": 11.23, "admet": 4.26, "novelty": 6.69, "synthesis": 3.89}, "detail": {"activity": {"pAct_q10": 6.29, "fraction": 0.939}, "binding": {"pIC50": 7.77, "LE": 0.288, "potency_term": 0.922, "efficiency_cap": 0.959}, "selectivity": {"fold": 16.5, "selectivity_term": 0.609, "target_engagement": 0.922}, "admet": {"geometric_mean": 0.303, "per_endpoint": {"solubility-aqsoldb": 0.153, "caco2-wang": 0.412, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.402, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.168}}, "novelty": {"max_tanimoto": 0.287, "novelty": 0.713}, "synthesis": {"sa_score": 3.1}}, "run": {"gpu": "0", "pAct_q10": 6.289814839117434, "aff_pf": -1.7663973172505696, "aff_hs": -0.5489706695079803, "repeats_pf": {"runs": 3, "values": [-1.7112, -1.7378, -1.8502], "mean": -1.7664, "spread": 0.139}, "repeats_hs": {"runs": 3, "values": [-0.4551, -0.7288, -0.463], "mean": -0.549, "spread": 0.2738}, "at": 1787977156}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967395, "scored_at": 1787977156, "rank": null}, {"candidate_id": "ODC-5E718C", "res_at": 1787986764, "skeleton": "UXGZUDGIHAKURT", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-24", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 71.608, "axes": {"activity": 30.0, "binding": 16.24, "selectivity": 9.62, "admet": 4.59, "novelty": 7.0, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.635, "fraction": 1.0}, "binding": {"pIC50": 7.49, "LE": 0.293, "potency_term": 0.831, "efficiency_cap": 0.978}, "selectivity": {"fold": 14.4, "selectivity_term": 0.579, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.306, "per_endpoint": {"solubility-aqsoldb": 0.338, "caco2-wang": 0.382, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.752, "herg": 0.05, "dili": 0.323}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 6.635233358628734, "aff_pf": -1.4925365050633748, "aff_hs": -0.334684818983078, "repeats_pf": {"runs": 3, "values": [-1.516, -1.5362, -1.4253], "mean": -1.4925, "spread": 0.1109}, "repeats_hs": {"runs": 3, "values": [-0.2293, -0.3846, -0.3902], "mean": -0.3347, "spread": 0.1609}, "at": 1787986764}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967480, "scored_at": 1787986764, "rank": null}, {"candidate_id": "ODC-94B170", "res_at": 1787926058, "skeleton": "PKWLLOUQHVIVHO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········CCCC1", "total": 71.389, "axes": {"activity": 29.78, "binding": 16.72, "selectivity": 9.62, "admet": 4.26, "novelty": 7.01, "synthesis": 4.01}, "detail": {"activity": {"pAct_q10": 6.387, "fraction": 0.993}, "binding": {"pIC50": 7.65, "LE": 0.283, "potency_term": 0.885, "efficiency_cap": 0.945}, "selectivity": {"fold": 12.2, "selectivity_term": 0.543, "target_engagement": 0.885}, "admet": {"geometric_mean": 0.286, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.142, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.695, "herg": 0.05, "dili": 0.169}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.386715387443256, "aff_pf": -1.6548269589742024, "aff_hs": -0.5682381192843119, "repeats_pf": {"runs": 3, "values": [-1.5934, -1.5758, -1.7952], "mean": -1.6548, "spread": 0.2194}, "repeats_hs": {"runs": 3, "values": [-0.574, -0.5579, -0.5728], "mean": -0.5682, "spread": 0.016}, "at": 1787926058}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925531, "scored_at": 1787926058, "rank": null}, {"candidate_id": "ODC-07B9DA", "res_at": 1787551436, "skeleton": "MRQXCWPLZITHES", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 71.338, "axes": {"activity": 29.1, "binding": 18.51, "selectivity": 8.26, "admet": 4.82, "novelty": 6.93, "synthesis": 3.72}, "detail": {"activity": {"pAct_q10": 6.346, "fraction": 0.97}, "binding": {"pIC50": 7.8, "LE": 0.297, "potency_term": 0.935, "efficiency_cap": 0.99}, "selectivity": {"fold": 7.7, "selectivity_term": 0.442, "target_engagement": 0.935}, "admet": {"geometric_mean": 0.331, "per_endpoint": {"solubility-aqsoldb": 0.29, "caco2-wang": 0.585, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.289, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.778, "herg": 0.094, "dili": 0.053}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.345927616698977, "aff_pf": -1.8042776187260945, "aff_hs": -0.9200932780901591, "repeats_pf": {"runs": 3, "values": [-1.8056, -1.8719, -1.7353], "mean": -1.8043, "spread": 0.1366}, "repeats_hs": {"runs": 3, "values": [-0.966, -1.0058, -0.7885], "mean": -0.9201, "spread": 0.2173}, "at": 1787551436}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527317, "scored_at": 1787551436, "rank": null}, {"candidate_id": "ODC-4A40C8", "res_at": 1787501869, "skeleton": "RYCXKLDTZRWBPG", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 71.208, "axes": {"activity": 30.0, "binding": 17.73, "selectivity": 7.86, "admet": 4.41, "novelty": 7.14, "synthesis": 4.07}, "detail": {"activity": {"pAct_q10": 6.684, "fraction": 1.0}, "binding": {"pIC50": 7.72, "LE": 0.294, "potency_term": 0.905, "efficiency_cap": 0.979}, "selectivity": {"fold": 7.4, "selectivity_term": 0.434, "target_engagement": 0.905}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.238, "caco2-wang": 0.566, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.229, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.638, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.15}}, "run": {"gpu": "3", "pAct_q10": 6.683673996021758, "aff_pf": -1.7164153258005779, "aff_hs": -0.8484628796577454, "repeats_pf": {"runs": 3, "values": [-1.7339, -1.7294, -1.686], "mean": -1.7164, "spread": 0.0479}, "repeats_hs": {"runs": 3, "values": [-0.8393, -0.8122, -0.8939], "mean": -0.8485, "spread": 0.0817}, "at": 1787501869}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787495835, "scored_at": 1787501869, "rank": null}, {"candidate_id": "ODC-50C168", "res_at": 1787388060, "skeleton": "CSXGEESGZGHHOR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 70.942, "axes": {"activity": 29.22, "binding": 15.94, "selectivity": 10.41, "admet": 5.26, "novelty": 6.82, "synthesis": 3.3}, "detail": {"activity": {"pAct_q10": 6.353, "fraction": 0.974}, "binding": {"pIC50": 7.51, "LE": 0.286, "potency_term": 0.836, "efficiency_cap": 0.953}, "selectivity": {"fold": 17.6, "selectivity_term": 0.622, "target_engagement": 0.836}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.418, "caco2-wang": 0.391, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.942, "cyp2c9-veith": 0.086, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.579, "herg": 0.05, "dili": 0.123}}, "novelty": {"max_tanimoto": 0.3, "novelty": 0.7}, "synthesis": {"sa_score": 3.63}}, "run": {"gpu": "3", "pAct_q10": 6.3530922381217945, "aff_pf": -1.5093019008636475, "aff_hs": -0.2643713404734929, "repeats_pf": {"runs": 3, "values": [-1.5367, -1.4706, -1.5206], "mean": -1.5093, "spread": 0.0661}, "repeats_hs": {"runs": 3, "values": [-0.119, -0.4554, -0.2187], "mean": -0.2644, "spread": 0.3364}, "at": 1787388060}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787387291, "scored_at": 1787388060, "rank": null}, {"candidate_id": "ODC-075DA9", "res_at": 1787923028, "skeleton": "WWRMEBSVKQEOKR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 70.799, "axes": {"activity": 30.0, "binding": 13.71, "selectivity": 9.88, "admet": 5.93, "novelty": 7.47, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.757, "fraction": 1.0}, "binding": {"pIC50": 7.24, "LE": 0.276, "potency_term": 0.747, "efficiency_cap": 0.918}, "selectivity": {"fold": 21.0, "selectivity_term": 0.661, "target_engagement": 0.747}, "admet": {"geometric_mean": 0.395, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.524, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.593, "cyp2c9-veith": 0.239, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.742, "herg": 0.05, "dili": 0.134}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.7565647115281475, "aff_pf": -1.2399208545684814, "aff_hs": 0.08284889161586761, "repeats_pf": {"runs": 3, "values": [-1.2684, -1.2686, -1.1828], "mean": -1.2399, "spread": 0.0858}, "repeats_hs": {"runs": 3, "values": [0.1325, 0.0704, 0.0457], "mean": 0.0828, "spread": 0.0868}, "at": 1787923028}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787922753, "scored_at": 1787923028, "rank": null}, {"candidate_id": "ODC-0BE274", "res_at": 1787941499, "skeleton": "UJUJTGOBOSJCBY", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(Nc··········2)c1F", "total": 70.721, "axes": {"activity": 30.0, "binding": 14.04, "selectivity": 10.31, "admet": 5.09, "novelty": 7.44, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.592, "fraction": 1.0}, "binding": {"pIC50": 7.28, "LE": 0.277, "potency_term": 0.76, "efficiency_cap": 0.923}, "selectivity": {"fold": 22.7, "selectivity_term": 0.678, "target_engagement": 0.76}, "admet": {"geometric_mean": 0.339, "per_endpoint": {"solubility-aqsoldb": 0.212, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.247, "cyp2c9-veith": 0.232, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.648, "herg": 0.05, "dili": 0.09}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.5924401536525465, "aff_pf": -1.2798898220062256, "aff_hs": 0.0763670951128006, "repeats_pf": {"runs": 3, "values": [-1.2943, -1.3415, -1.2039], "mean": -1.2799, "spread": 0.1375}, "repeats_hs": {"runs": 3, "values": [-0.034, -0.0021, 0.2652], "mean": 0.0764, "spread": 0.2991}, "at": 1787941499}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928459, "scored_at": 1787941499, "rank": null}, {"candidate_id": "ODC-427FC6", "res_at": 1787973916, "skeleton": "REMFXRKIMKWJKE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCN··········N)CC1", "total": 70.655, "axes": {"activity": 30.0, "binding": 19.07, "selectivity": 5.73, "admet": 4.63, "novelty": 7.18, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.481, "fraction": 1.0}, "binding": {"pIC50": 7.87, "LE": 0.299, "potency_term": 0.956, "efficiency_cap": 0.998}, "selectivity": {"fold": 4.0, "selectivity_term": 0.3, "target_engagement": 0.956}, "admet": {"geometric_mean": 0.308, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.28, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.078, "cyp2c9-veith": 0.134, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.597, "herg": 0.05, "dili": 0.223}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 6.480896269607486, "aff_pf": -1.8670337200164795, "aff_hs": -1.2671884298324585, "repeats_pf": {"runs": 3, "values": [-1.8933, -1.8355, -1.8724], "mean": -1.867, "spread": 0.0578}, "repeats_hs": {"runs": 3, "values": [-1.2664, -1.2379, -1.2973], "mean": -1.2672, "spread": 0.0594}, "at": 1787973916}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967373, "scored_at": 1787973916, "rank": null}, {"candidate_id": "ODC-CF83BB", "res_at": 1787920663, "skeleton": "QCQIVCZIOVAXGW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-AZ3-09", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········F)CC1", "total": 70.59, "axes": {"activity": 30.0, "binding": 17.58, "selectivity": 7.41, "admet": 4.64, "novelty": 7.21, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.516, "fraction": 1.0}, "binding": {"pIC50": 7.76, "LE": 0.287, "potency_term": 0.918, "efficiency_cap": 0.957}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.918}, "admet": {"geometric_mean": 0.31, "per_endpoint": {"solubility-aqsoldb": 0.127, "caco2-wang": 0.539, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.414, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.843, "herg": 0.05, "dili": 0.133}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.515841409786139, "aff_pf": -1.7551809549331665, "aff_hs": -0.9485216538111368, "repeats_pf": {"runs": 3, "values": [-1.7236, -1.8106, -1.7314], "mean": -1.7552, "spread": 0.087}, "repeats_hs": {"runs": 3, "values": [-0.8381, -1.0251, -0.9824], "mean": -0.9485, "spread": 0.187}, "at": 1787920663}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787909225, "scored_at": 1787920663, "rank": null}, {"candidate_id": "ODC-9164E6", "res_at": 1787206850, "skeleton": "COPIIQKIRHXYTH", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 70.23, "axes": {"activity": 29.93, "binding": 13.59, "selectivity": 9.72, "admet": 5.46, "novelty": 7.54, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.396, "fraction": 0.998}, "binding": {"pIC50": 7.18, "LE": 0.281, "potency_term": 0.726, "efficiency_cap": 0.936}, "selectivity": {"fold": 21.9, "selectivity_term": 0.67, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.264, "caco2-wang": 0.544, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.397, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.142, "ld50-zhu": 0.699, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.39581732087672, "aff_pf": -1.1770130395889282, "aff_hs": 0.1626388430595398, "repeats_pf": {"runs": 3, "values": [-1.2958, -1.0462, -1.1891], "mean": -1.177, "spread": 0.2496}, "repeats_hs": {"runs": 3, "values": [0.2009, 0.1576, 0.1294], "mean": 0.1626, "spread": 0.0714}, "at": 1787206850}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787202681, "scored_at": 1787206850, "rank": null}, {"candidate_id": "ODC-87D8CB", "res_at": 1787995192, "skeleton": "WTGRJKIGADJECF", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150V2-03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········F)CC1", "total": 70.017, "axes": {"activity": 30.0, "binding": 12.67, "selectivity": 10.48, "admet": 5.57, "novelty": 7.11, "synthesis": 4.19}, "detail": {"activity": {"pAct_q10": 6.545, "fraction": 1.0}, "binding": {"pIC50": 7.02, "LE": 0.283, "potency_term": 0.672, "efficiency_cap": 0.942}, "selectivity": {"fold": 36.2, "selectivity_term": 0.779, "target_engagement": 0.672}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.582, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.489, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 6.5450709359789485, "aff_pf": -1.0161571701367695, "aff_hs": 0.5426721175511678, "repeats_pf": {"runs": 3, "values": [-0.9962, -1.0078, -1.0445], "mean": -1.0162, "spread": 0.0484}, "repeats_hs": {"runs": 3, "values": [0.4266, 0.5888, 0.6127], "mean": 0.5427, "spread": 0.1861}, "at": 1787995192}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.405, "total_ci95": [69.283, 70.815], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967523, "scored_at": 1787995192, "rank": null}, {"candidate_id": "ODC-58D4DC", "res_at": 1787473981, "skeleton": "HZZJCTDWRNJGIE", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 69.991, "axes": {"activity": 30.0, "binding": 13.8, "selectivity": 10.27, "admet": 4.9, "novelty": 6.98, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.489, "fraction": 1.0}, "binding": {"pIC50": 7.2, "LE": 0.282, "potency_term": 0.734, "efficiency_cap": 0.94}, "selectivity": {"fold": 25.0, "selectivity_term": 0.699, "target_engagement": 0.734}, "admet": {"geometric_mean": 0.327, "per_endpoint": {"solubility-aqsoldb": 0.26, "caco2-wang": 0.456, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.243, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.672, "herg": 0.05, "dili": 0.267}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.488990651566245, "aff_pf": -1.2021369139353435, "aff_hs": 0.19637954235076904, "repeats_pf": {"runs": 3, "values": [-1.1939, -1.2849, -1.1276], "mean": -1.2021, "spread": 0.1573}, "repeats_hs": {"runs": 3, "values": [0.1601, 0.2104, 0.2187], "mean": 0.1964, "spread": 0.0585}, "at": 1787473981}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787473442, "scored_at": 1787473981, "rank": null}, {"candidate_id": "ODC-6D57DE", "res_at": 1787387673, "skeleton": "XSRKBVZPGNRTNU", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 69.948, "axes": {"activity": 30.0, "binding": 13.92, "selectivity": 9.84, "admet": 5.21, "novelty": 6.98, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.422, "fraction": 1.0}, "binding": {"pIC50": 7.22, "LE": 0.282, "potency_term": 0.739, "efficiency_cap": 0.942}, "selectivity": {"fold": 21.5, "selectivity_term": 0.666, "target_engagement": 0.739}, "admet": {"geometric_mean": 0.347, "per_endpoint": {"solubility-aqsoldb": 0.277, "caco2-wang": 0.476, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.345, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.786, "herg": 0.05, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.422044341286424, "aff_pf": -1.2169196208318074, "aff_hs": 0.11510363221168518, "repeats_pf": {"runs": 3, "values": [-1.0916, -1.1147, -1.4444], "mean": -1.2169, "spread": 0.3528}, "repeats_hs": {"runs": 3, "values": [0.1324, 0.1237, 0.0892], "mean": 0.1151, "spread": 0.0432}, "at": 1787387673}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787387281, "scored_at": 1787387673, "rank": null}, {"candidate_id": "ODC-105004", "res_at": 1787925769, "skeleton": "ITOAYWMFOZAQCH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W02", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········)CCC1", "total": 69.865, "axes": {"activity": 26.63, "binding": 15.8, "selectivity": 13.46, "admet": 4.11, "novelty": 6.35, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 6.198, "fraction": 0.888}, "binding": {"pIC50": 7.49, "LE": 0.285, "potency_term": 0.831, "efficiency_cap": 0.951}, "selectivity": {"fold": 41.7, "selectivity_term": 0.81, "target_engagement": 0.831}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.231, "caco2-wang": 0.475, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.185, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.662, "herg": 0.05, "dili": 0.181}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.197824741464245, "aff_pf": -1.4929943879445393, "aff_hs": 0.1271362006664276, "repeats_pf": {"runs": 3, "values": [-1.4924, -1.5942, -1.3924], "mean": -1.493, "spread": 0.2018}, "repeats_hs": {"runs": 2, "values": [0.16, 0.0943], "mean": 0.1271, "spread": 0.0656}, "at": 1787925769}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925523, "scored_at": 1787925769, "rank": null}, {"candidate_id": "ODC-E66D71", "res_at": 1787272057, "skeleton": "NMFDWILQOJDTMI", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········)CCC1", "total": 69.745, "axes": {"activity": 30.0, "binding": 17.83, "selectivity": 6.37, "admet": 4.16, "novelty": 7.4, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.407, "fraction": 1.0}, "binding": {"pIC50": 7.78, "LE": 0.288, "potency_term": 0.928, "efficiency_cap": 0.961}, "selectivity": {"fold": 4.9, "selectivity_term": 0.343, "target_engagement": 0.928}, "admet": {"geometric_mean": 0.278, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.556, "hia-hou": 1.0, "bioavailability-ma": 0.901, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.391, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.758, "herg": 0.05, "dili": 0.072}}, "novelty": {"max_tanimoto": 0.26, "novelty": 0.74}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.407317121602439, "aff_pf": -1.7842324177424114, "aff_hs": -1.0978723367055256, "repeats_pf": {"runs": 3, "values": [-1.6444, -1.7856, -1.9227], "mean": -1.7842, "spread": 0.2783}, "repeats_hs": {"runs": 3, "values": [-1.1562, -1.0238, -1.1136], "mean": -1.0979, "spread": 0.1324}, "at": 1787272057}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787270357, "scored_at": 1787272057, "rank": null}, {"candidate_id": "ODC-88A3A1", "res_at": 1787930953, "skeleton": "WTGLKUXRNURKEG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W16", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········)CCC1", "total": 69.736, "axes": {"activity": 28.8, "binding": 17.03, "selectivity": 8.37, "admet": 4.83, "novelty": 6.92, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.328, "fraction": 0.96}, "binding": {"pIC50": 7.64, "LE": 0.291, "potency_term": 0.879, "efficiency_cap": 0.969}, "selectivity": {"fold": 9.0, "selectivity_term": 0.476, "target_engagement": 0.879}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.413, "caco2-wang": 0.322, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.364, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.671, "herg": 0.05, "dili": 0.211}}, "novelty": {"max_tanimoto": 0.279, "novelty": 0.721}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.328207322012791, "aff_pf": -1.6363330682118733, "aff_hs": -0.6836398243904114, "repeats_pf": {"runs": 3, "values": [-1.6889, -1.53, -1.6901], "mean": -1.6363, "spread": 0.16}, "repeats_hs": {"runs": 3, "values": [-0.7893, -0.7302, -0.5314], "mean": -0.6836, "spread": 0.2579}, "at": 1787930953}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925673, "scored_at": 1787930953, "rank": null}, {"candidate_id": "ODC-1B2CC7", "res_at": 1787388253, "skeleton": "PWXBQLCYEIQMEX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 69.703, "axes": {"activity": 27.55, "binding": 13.94, "selectivity": 12.69, "admet": 5.3, "novelty": 6.44, "synthesis": 3.78}, "detail": {"activity": {"pAct_q10": 6.253, "fraction": 0.918}, "binding": {"pIC50": 7.27, "LE": 0.277, "potency_term": 0.756, "efficiency_cap": 0.922}, "selectivity": {"fold": 47.7, "selectivity_term": 0.839, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.385, "per_endpoint": {"solubility-aqsoldb": 0.567, "caco2-wang": 0.301, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.886, "cyp2c9-veith": 0.11, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.633, "herg": 0.05, "dili": 0.211}}, "novelty": {"max_tanimoto": 0.299, "novelty": 0.701}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.253148797533111, "aff_pf": -1.2682580947875977, "aff_hs": 0.41023191809654236, "repeats_pf": {"runs": 3, "values": [-1.2144, -1.3286, -1.2618], "mean": -1.2683, "spread": 0.1142}, "repeats_hs": {"runs": 3, "values": [0.4343, 0.3707, 0.4258], "mean": 0.4102, "spread": 0.0636}, "at": 1787388253}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787387296, "scored_at": 1787388253, "rank": null}, {"candidate_id": "ODC-4F822C", "res_at": 1788301757, "skeleton": "NBOZEXTUPFMOEE", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-E04-ethynyl-spiro5-iC5", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C#Cc1cc··········CCCC1", "total": 69.461, "axes": {"activity": 30.0, "binding": 15.25, "selectivity": 9.01, "admet": 4.13, "novelty": 7.33, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.596, "fraction": 1.0}, "binding": {"pIC50": 7.53, "LE": 0.271, "potency_term": 0.843, "efficiency_cap": 0.905}, "selectivity": {"fold": 11.7, "selectivity_term": 0.535, "target_engagement": 0.843}, "admet": {"geometric_mean": 0.275, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.474, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.65, "herg": 0.059, "dili": 0.188}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.38}}, "run": {"gpu": "3", "pAct_q10": 6.59631001208499, "aff_pf": -1.5284741719563801, "aff_hs": -0.45936023195584613, "repeats_pf": {"runs": 3, "values": [-1.3272, -1.626, -1.6322], "mean": -1.5285, "spread": 0.305}, "repeats_hs": {"runs": 3, "values": [-0.5279, -0.4449, -0.4053], "mean": -0.4594, "spread": 0.1226}, "at": 1788301757}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 1.712, "total_ci95": [65.695, 71.857], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788272025, "scored_at": 1788301757, "rank": null}, {"candidate_id": "ODC-03C5FA", "res_at": 1787285356, "skeleton": "SATDGQHDLHOCHR", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)CC1", "total": 69.46, "axes": {"activity": 30.0, "binding": 12.91, "selectivity": 9.32, "admet": 5.88, "novelty": 7.44, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.486, "fraction": 1.0}, "binding": {"pIC50": 7.09, "LE": 0.278, "potency_term": 0.698, "efficiency_cap": 0.925}, "selectivity": {"fold": 21.6, "selectivity_term": 0.668, "target_engagement": 0.698}, "admet": {"geometric_mean": 0.392, "per_endpoint": {"solubility-aqsoldb": 0.39, "caco2-wang": 0.41, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.32, "cyp2c9-veith": 0.307, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.717, "herg": 0.05, "dili": 0.243}}, "novelty": {"max_tanimoto": 0.256, "novelty": 0.744}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.486400972241465, "aff_pf": -1.0930636723836262, "aff_hs": 0.2420675257841746, "repeats_pf": {"runs": 3, "values": [-1.1582, -0.935, -1.186], "mean": -1.0931, "spread": 0.251}, "repeats_hs": {"runs": 3, "values": [0.249, 0.2211, 0.2561], "mean": 0.2421, "spread": 0.035}, "at": 1787285356}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787281035, "scored_at": 1787285356, "rank": null}, {"candidate_id": "ODC-B0236B", "res_at": 1787241868, "skeleton": "YTFKPWPLJNXDCN", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········l)CC1", "total": 69.289, "axes": {"activity": 29.25, "binding": 20.0, "selectivity": 5.01, "admet": 4.32, "novelty": 6.71, "synthesis": 4.0}, "detail": {"activity": {"pAct_q10": 6.355, "fraction": 0.975}, "binding": {"pIC50": 8.05, "LE": 0.306, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.091, "caco2-wang": 0.463, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.201, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.76, "herg": 0.05, "dili": 0.304}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.354997093304279, "aff_pf": -2.0470943450927734, "aff_hs": -1.5463217894236247, "repeats_pf": {"runs": 3, "values": [-2.0419, -2.0904, -2.009], "mean": -2.0471, "spread": 0.0815}, "repeats_hs": {"runs": 3, "values": [-1.553, -1.5349, -1.5511], "mean": -1.5463, "spread": 0.0182}, "at": 1787241868}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787238010, "scored_at": 1787241868, "rank": null}, {"candidate_id": "ODC-9536FD", "res_at": 1787502273, "skeleton": "GRLFGQYOAOTFCR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 69.239, "axes": {"activity": 30.0, "binding": 14.23, "selectivity": 9.65, "admet": 4.19, "novelty": 7.1, "synthesis": 4.06}, "detail": {"activity": {"pAct_q10": 6.593, "fraction": 1.0}, "binding": {"pIC50": 7.4, "LE": 0.267, "potency_term": 0.8, "efficiency_cap": 0.889}, "selectivity": {"fold": 16.1, "selectivity_term": 0.603, "target_engagement": 0.8}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.101, "caco2-wang": 0.571, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.375, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.05, "dili": 0.068}}, "novelty": {"max_tanimoto": 0.29, "novelty": 0.71}, "synthesis": {"sa_score": 3.16}}, "run": {"gpu": "3", "pAct_q10": 6.592871228030022, "aff_pf": -1.4006499449412029, "aff_hs": -0.1947396919131279, "repeats_pf": {"runs": 3, "values": [-1.2328, -1.5703, -1.3988], "mean": -1.4006, "spread": 0.3375}, "repeats_hs": {"runs": 3, "values": [-0.0461, -0.2671, -0.271], "mean": -0.1947, "spread": 0.2249}, "at": 1787502273}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787497024, "scored_at": 1787502273, "rank": null}, {"candidate_id": "ODC-93D5BA", "res_at": 1787943802, "skeleton": "AKFUKFZCCWWRCQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C)CC1", "total": 69.171, "axes": {"activity": 29.69, "binding": 14.44, "selectivity": 8.2, "admet": 5.84, "novelty": 7.25, "synthesis": 3.74}, "detail": {"activity": {"pAct_q10": 6.382, "fraction": 0.99}, "binding": {"pIC50": 7.33, "LE": 0.279, "potency_term": 0.777, "efficiency_cap": 0.93}, "selectivity": {"fold": 11.4, "selectivity_term": 0.528, "target_engagement": 0.777}, "admet": {"geometric_mean": 0.393, "per_endpoint": {"solubility-aqsoldb": 0.412, "caco2-wang": 0.357, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.707, "cyp2c9-veith": 0.176, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.66, "herg": 0.05, "dili": 0.284}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "0", "pAct_q10": 6.381676422222697, "aff_pf": -1.3296273946762085, "aff_hs": -0.2730931242307027, "repeats_pf": {"runs": 3, "values": [-1.3154, -1.3719, -1.3016], "mean": -1.3296, "spread": 0.0703}, "repeats_hs": {"runs": 3, "values": [-0.203, -0.4884, -0.1279], "mean": -0.2731, "spread": 0.3604}, "at": 1787943802}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929189, "scored_at": 1787943802, "rank": null}, {"candidate_id": "ODC-907E5F", "res_at": 1787942430, "skeleton": "UNQMPLCBHPRLTR", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 69.128, "axes": {"activity": 28.55, "binding": 11.47, "selectivity": 13.01, "admet": 5.03, "novelty": 7.3, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.313, "fraction": 0.952}, "binding": {"pIC50": 6.95, "LE": 0.265, "potency_term": 0.651, "efficiency_cap": 0.882}, "selectivity": {"fold": 109.8, "selectivity_term": 1.0, "target_engagement": 0.651}, "admet": {"geometric_mean": 0.353, "per_endpoint": {"solubility-aqsoldb": 0.342, "caco2-wang": 0.367, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.665, "cyp2c9-veith": 0.214, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.567, "herg": 0.055, "dili": 0.081}}, "novelty": {"max_tanimoto": 0.233, "novelty": 0.767}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "0", "pAct_q10": 6.313225112022388, "aff_pf": -0.9515307943026224, "aff_hs": 1.0891759395599365, "repeats_pf": {"runs": 3, "values": [-0.9271, -1.1033, -0.8242], "mean": -0.9515, "spread": 0.279}, "repeats_hs": {"runs": 3, "values": [1.0234, 1.0652, 1.179], "mean": 1.0892, "spread": 0.1556}, "at": 1787942430}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928480, "scored_at": 1787942430, "rank": null}, {"candidate_id": "ODC-CF1458", "res_at": 1787935354, "skeleton": "LUBAHNSXGMAVGX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 68.665, "axes": {"activity": 30.0, "binding": 10.99, "selectivity": 11.24, "admet": 5.02, "novelty": 7.56, "synthesis": 3.86}, "detail": {"activity": {"pAct_q10": 6.426, "fraction": 1.0}, "binding": {"pIC50": 6.89, "LE": 0.262, "potency_term": 0.629, "efficiency_cap": 0.874}, "selectivity": {"fold": 61.2, "selectivity_term": 0.893, "target_engagement": 0.629}, "admet": {"geometric_mean": 0.334, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.362, "cyp2c9-veith": 0.159, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.565, "herg": 0.05, "dili": 0.077}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.426145278038841, "aff_pf": -0.887327253818512, "aff_hs": 0.8994021018346151, "repeats_pf": {"runs": 3, "values": [-0.9136, -0.945, -0.8034], "mean": -0.8873, "spread": 0.1416}, "repeats_hs": {"runs": 3, "values": [0.9415, 0.8193, 0.9374], "mean": 0.8994, "spread": 0.1222}, "at": 1787935354}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929137, "scored_at": 1787935354, "rank": null}, {"candidate_id": "ODC-5C9C06", "res_at": 1787988359, "skeleton": "IYVUHOKXPDEBCG", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-27", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCCC··········2)CC1", "total": 68.183, "axes": {"activity": 30.0, "binding": 15.34, "selectivity": 7.32, "admet": 4.3, "novelty": 6.88, "synthesis": 4.34}, "detail": {"activity": {"pAct_q10": 6.605, "fraction": 1.0}, "binding": {"pIC50": 7.44, "LE": 0.283, "potency_term": 0.813, "efficiency_cap": 0.944}, "selectivity": {"fold": 8.0, "selectivity_term": 0.45, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.287, "per_endpoint": {"solubility-aqsoldb": 0.197, "caco2-wang": 0.432, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.1, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.675, "herg": 0.05, "dili": 0.175}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "0", "pAct_q10": 6.6048153852517935, "aff_pf": -1.4390251636505127, "aff_hs": -0.5384002427260081, "repeats_pf": {"runs": 3, "values": [-1.5916, -1.3639, -1.3616], "mean": -1.439, "spread": 0.2299}, "repeats_hs": {"runs": 3, "values": [-0.7605, -0.2917, -0.5629], "mean": -0.5384, "spread": 0.4688}, "at": 1787988359}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967491, "scored_at": 1787988359, "rank": null}, {"candidate_id": "ODC-561BFB", "res_at": 1788297215, "skeleton": "ZGUZADLDPNPFJU", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-A-H1-az-g-C7-3Etpentyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(CC)··········N)CC1", "total": 68.024, "axes": {"activity": 30.0, "binding": 17.52, "selectivity": 4.72, "admet": 4.85, "novelty": 7.14, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.447, "fraction": 1.0}, "binding": {"pIC50": 7.75, "LE": 0.287, "potency_term": 0.916, "efficiency_cap": 0.956}, "selectivity": {"fold": 3.3, "selectivity_term": 0.258, "target_engagement": 0.916}, "admet": {"geometric_mean": 0.323, "per_endpoint": {"solubility-aqsoldb": 0.295, "caco2-wang": 0.319, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.052, "cyp2c9-veith": 0.394, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.613, "herg": 0.05, "dili": 0.255}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 6.44748642986811, "aff_pf": -1.7476988633473713, "aff_hs": -1.2322249015172322, "repeats_pf": {"runs": 3, "values": [-1.7493, -1.7582, -1.7356], "mean": -1.7477, "spread": 0.0226}, "repeats_hs": {"runs": 3, "values": [-1.2139, -1.2139, -1.2689], "mean": -1.2322, "spread": 0.0551}, "at": 1788297215}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.19, "total_ci95": [67.621, 68.339], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271585, "scored_at": 1788297215, "rank": null}, {"candidate_id": "ODC-99E97A", "res_at": 1787928113, "skeleton": "WZBLTBBTCUIALO", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W15", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 67.72, "axes": {"activity": 28.82, "binding": 13.21, "selectivity": 9.38, "admet": 5.45, "novelty": 7.16, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.329, "fraction": 0.961}, "binding": {"pIC50": 7.18, "LE": 0.273, "potency_term": 0.726, "efficiency_cap": 0.91}, "selectivity": {"fold": 19.6, "selectivity_term": 0.646, "target_engagement": 0.726}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.405, "caco2-wang": 0.353, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.509, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.648, "herg": 0.05, "dili": 0.329}}, "novelty": {"max_tanimoto": 0.255, "novelty": 0.745}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.329085620292029, "aff_pf": -1.1770298480987549, "aff_hs": 0.11528916905323665, "repeats_pf": {"runs": 3, "values": [-1.265, -1.0308, -1.2353], "mean": -1.177, "spread": 0.2342}, "repeats_hs": {"runs": 3, "values": [-0.0722, 0.3932, 0.0248], "mean": 0.1153, "spread": 0.4654}, "at": 1787928113}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925662, "scored_at": 1787928113, "rank": null}, {"candidate_id": "ODC-E99A8D", "res_at": 1787577350, "skeleton": "ZZWOXDMJFGBGTK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 67.7, "axes": {"activity": 30.0, "binding": 15.33, "selectivity": 7.12, "admet": 4.05, "novelty": 7.28, "synthesis": 3.92}, "detail": {"activity": {"pAct_q10": 6.591, "fraction": 1.0}, "binding": {"pIC50": 7.49, "LE": 0.277, "potency_term": 0.829, "efficiency_cap": 0.924}, "selectivity": {"fold": 7.2, "selectivity_term": 0.429, "target_engagement": 0.829}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.097, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.156, "cyp2c9-veith": 0.089, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.272, "novelty": 0.728}, "synthesis": {"sa_score": 3.26}}, "run": {"gpu": "3", "pAct_q10": 6.590560994930627, "aff_pf": -1.4876869519551594, "aff_hs": -0.6293893059094747, "repeats_pf": {"runs": 3, "values": [-1.4733, -1.4859, -1.5039], "mean": -1.4877, "spread": 0.0306}, "repeats_hs": {"runs": 3, "values": [-0.5671, -0.565, -0.756], "mean": -0.6294, "spread": 0.191}, "at": 1787577350}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787576758, "scored_at": 1787577350, "rank": null}, {"candidate_id": "ODC-B6AA37", "res_at": 1787934710, "skeleton": "KGELXWJVOMWMPY", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 67.528, "axes": {"activity": 29.78, "binding": 11.59, "selectivity": 10.02, "admet": 5.07, "novelty": 7.32, "synthesis": 3.75}, "detail": {"activity": {"pAct_q10": 6.387, "fraction": 0.993}, "binding": {"pIC50": 6.97, "LE": 0.265, "potency_term": 0.656, "efficiency_cap": 0.884}, "selectivity": {"fold": 33.8, "selectivity_term": 0.764, "target_engagement": 0.656}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.355, "caco2-wang": 0.416, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.999, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.629, "herg": 0.05, "dili": 0.089}}, "novelty": {"max_tanimoto": 0.263, "novelty": 0.737}, "synthesis": {"sa_score": 3.36}}, "run": {"gpu": "3", "pAct_q10": 6.386565852257486, "aff_pf": -0.9671657085418701, "aff_hs": 0.5616760154565176, "repeats_pf": {"runs": 3, "values": [-0.9239, -1.0992, -0.8784], "mean": -0.9672, "spread": 0.2208}, "repeats_hs": {"runs": 3, "values": [0.4918, 0.802, 0.3912], "mean": 0.5617, "spread": 0.4108}, "at": 1787934710}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928474, "scored_at": 1787934710, "rank": null}, {"candidate_id": "ODC-BA796B", "res_at": 1787442079, "skeleton": "SEBOECXHOXAFPN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 67.512, "axes": {"activity": 29.57, "binding": 13.12, "selectivity": 9.6, "admet": 4.02, "novelty": 7.28, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.374, "fraction": 0.986}, "binding": {"pIC50": 7.17, "LE": 0.273, "potency_term": 0.722, "efficiency_cap": 0.909}, "selectivity": {"fold": 21.3, "selectivity_term": 0.665, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.131, "caco2-wang": 0.629, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.757, "herg": 0.05, "dili": 0.084}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.374173637656838, "aff_pf": -1.165417194366455, "aff_hs": 0.16397343079249063, "repeats_pf": {"runs": 3, "values": [-1.1211, -1.2684, -1.1068], "mean": -1.1654, "spread": 0.1616}, "repeats_hs": {"runs": 3, "values": [0.304, 0.3199, -0.132], "mean": 0.164, "spread": 0.4519}, "at": 1787442079}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787439363, "scored_at": 1787442079, "rank": null}, {"candidate_id": "ODC-BC1799", "res_at": 1787424342, "skeleton": "LKAYJFMKQDNSIN", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········)CCC1", "total": 67.309, "axes": {"activity": 17.09, "binding": 18.16, "selectivity": 18.16, "admet": 4.38, "novelty": 5.54, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 5.625, "fraction": 0.57}, "binding": {"pIC50": 7.72, "LE": 0.321, "potency_term": 0.908, "efficiency_cap": 1.0}, "selectivity": {"fold": 371.9, "selectivity_term": 1.0, "target_engagement": 0.908}, "admet": {"geometric_mean": 0.322, "per_endpoint": {"solubility-aqsoldb": 0.344, "caco2-wang": 0.386, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.145, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.249}}, "novelty": {"max_tanimoto": 0.39, "novelty": 0.61}, "synthesis": {"sa_score": 2.93}}, "run": {"gpu": "3", "pAct_q10": 5.6251053761599765, "aff_pf": -1.7240684827168782, "aff_hs": 0.8463049332300822, "repeats_pf": {"runs": 3, "values": [-1.7638, -1.719, -1.6894], "mean": -1.7241, "spread": 0.0744}, "repeats_hs": {"runs": 3, "values": [0.8725, 0.8324, 0.8341], "mean": 0.8463, "spread": 0.0401}, "at": 1787424342}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787423804, "scored_at": 1787424342, "rank": null}, {"candidate_id": "ODC-8CDB0B", "res_at": 1787940199, "skeleton": "YMQKMZJLTQPAAP", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········F)CC1", "total": 67.1, "axes": {"activity": 27.96, "binding": 12.09, "selectivity": 11.71, "admet": 4.77, "novelty": 6.97, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 6.278, "fraction": 0.932}, "binding": {"pIC50": 7.03, "LE": 0.268, "potency_term": 0.677, "efficiency_cap": 0.892}, "selectivity": {"fold": 53.6, "selectivity_term": 0.864, "target_engagement": 0.677}, "admet": {"geometric_mean": 0.341, "per_endpoint": {"solubility-aqsoldb": 0.311, "caco2-wang": 0.401, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.081, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.62, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.2776817468813295, "aff_pf": -1.0324496030807495, "aff_hs": 0.6963286995887756, "repeats_pf": {"runs": 3, "values": [-0.7835, -1.1529, -1.161], "mean": -1.0324, "spread": 0.3775}, "repeats_hs": {"runs": 3, "values": [0.8585, 0.4969, 0.7335], "mean": 0.6963, "spread": 0.3616}, "at": 1787940199}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928441, "scored_at": 1787940199, "rank": null}, {"candidate_id": "ODC-7A731E", "res_at": 1787609923, "skeleton": "HZMRGAKHOFSFLB", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Nc1cc(N··········2)CC1", "total": 66.652, "axes": {"activity": 30.0, "binding": 16.5, "selectivity": 4.61, "admet": 4.39, "novelty": 7.23, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.541, "fraction": 1.0}, "binding": {"pIC50": 7.63, "LE": 0.282, "potency_term": 0.876, "efficiency_cap": 0.942}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.876}, "admet": {"geometric_mean": 0.292, "per_endpoint": {"solubility-aqsoldb": 0.364, "caco2-wang": 0.227, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.183, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.616, "herg": 0.05, "dili": 0.165}}, "novelty": {"max_tanimoto": 0.277, "novelty": 0.723}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.540996417487396, "aff_pf": -1.6286150217056274, "aff_hs": -1.1028847495714824, "repeats_pf": {"runs": 3, "values": [-1.7076, -1.6788, -1.4995], "mean": -1.6286, "spread": 0.2082}, "repeats_hs": {"runs": 3, "values": [-0.9713, -1.0614, -1.276], "mean": -1.1029, "spread": 0.3048}, "at": 1787609923}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787609569, "scored_at": 1787609923, "rank": null}, {"candidate_id": "ODC-C45283", "res_at": 1787441660, "skeleton": "RJMJYCJLXOXMQD", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 66.634, "axes": {"activity": 30.0, "binding": 14.34, "selectivity": 6.63, "admet": 4.34, "novelty": 7.12, "synthesis": 4.21}, "detail": {"activity": {"pAct_q10": 6.43, "fraction": 1.0}, "binding": {"pIC50": 7.27, "LE": 0.285, "potency_term": 0.756, "efficiency_cap": 0.948}, "selectivity": {"fold": 7.5, "selectivity_term": 0.438, "target_engagement": 0.756}, "admet": {"geometric_mean": 0.289, "per_endpoint": {"solubility-aqsoldb": 0.191, "caco2-wang": 0.51, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.649, "herg": 0.083, "dili": 0.199}}, "novelty": {"max_tanimoto": 0.288, "novelty": 0.712}, "synthesis": {"sa_score": 3.05}}, "run": {"gpu": "3", "pAct_q10": 6.429782454316476, "aff_pf": -1.2684203783671062, "aff_hs": -0.39185213049252826, "repeats_pf": {"runs": 3, "values": [-1.2258, -1.3189, -1.2605], "mean": -1.2684, "spread": 0.0931}, "repeats_hs": {"runs": 3, "values": [-0.3064, -0.4814, -0.3878], "mean": -0.3919, "spread": 0.175}, "at": 1787441660}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787439347, "scored_at": 1787441660, "rank": null}, {"candidate_id": "ODC-B6657D", "res_at": 1787307951, "skeleton": "CZDAYFNVVKWVRF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········l)CC1", "total": 66.32, "axes": {"activity": 29.75, "binding": 12.48, "selectivity": 8.06, "admet": 4.72, "novelty": 7.35, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.385, "fraction": 0.992}, "binding": {"pIC50": 6.99, "LE": 0.282, "potency_term": 0.664, "efficiency_cap": 0.939}, "selectivity": {"fold": 16.3, "selectivity_term": 0.606, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.317, "per_endpoint": {"solubility-aqsoldb": 0.268, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.393, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.682, "herg": 0.05, "dili": 0.055}}, "novelty": {"max_tanimoto": 0.259, "novelty": 0.741}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.384915458047767, "aff_pf": -0.9931079149246216, "aff_hs": 0.21983791391054788, "repeats_pf": {"runs": 3, "values": [-0.8833, -1.0932, -1.0028], "mean": -0.9931, "spread": 0.2099}, "repeats_hs": {"runs": 3, "values": [0.2384, 0.2304, 0.1907], "mean": 0.2198, "spread": 0.0478}, "at": 1787307951}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787306973, "scored_at": 1787307951, "rank": null}, {"candidate_id": "ODC-3520D5", "res_at": 1787990334, "skeleton": "YRYLJXTXBCYBNI", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-29", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········F)CC1", "total": 66.318, "axes": {"activity": 30.0, "binding": 12.04, "selectivity": 7.0, "admet": 6.02, "novelty": 7.26, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.558, "fraction": 1.0}, "binding": {"pIC50": 6.98, "LE": 0.273, "potency_term": 0.661, "efficiency_cap": 0.911}, "selectivity": {"fold": 11.4, "selectivity_term": 0.529, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.341, "caco2-wang": 0.586, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.864, "cyp2c9-veith": 0.173, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.808, "herg": 0.05, "dili": 0.116}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "0", "pAct_q10": 6.558290569582178, "aff_pf": -0.9829309185345968, "aff_hs": 0.07580271363258362, "repeats_pf": {"runs": 3, "values": [-0.9198, -1.1009, -0.9281], "mean": -0.9829, "spread": 0.1812}, "repeats_hs": {"runs": 3, "values": [-0.1101, 0.3181, 0.0194], "mean": 0.0758, "spread": 0.4282}, "at": 1787990334}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967502, "scored_at": 1787990334, "rank": null}, {"candidate_id": "ODC-60709C", "res_at": 1787586761, "skeleton": "YCSFNCHMEYJCGT", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········N)CC1", "total": 66.307, "axes": {"activity": 30.0, "binding": 16.76, "selectivity": 3.02, "admet": 5.38, "novelty": 7.18, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.457, "fraction": 1.0}, "binding": {"pIC50": 7.61, "LE": 0.289, "potency_term": 0.869, "efficiency_cap": 0.965}, "selectivity": {"fold": 2.2, "selectivity_term": 0.174, "target_engagement": 0.869}, "admet": {"geometric_mean": 0.359, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.336, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.145, "cyp2c9-veith": 0.181, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.666, "herg": 0.05, "dili": 0.326}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.457125574989091, "aff_pf": -1.6058969895044963, "aff_hs": -1.2580509583155315, "repeats_pf": {"runs": 3, "values": [-1.6332, -1.6058, -1.5787], "mean": -1.6059, "spread": 0.0546}, "repeats_hs": {"runs": 3, "values": [-1.1284, -1.3299, -1.3158], "mean": -1.2581, "spread": 0.2015}, "at": 1787586761}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787583631, "scored_at": 1787586761, "rank": null}, {"candidate_id": "ODC-DB1365", "res_at": 1787936990, "skeleton": "LANGIHZADVEFHH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W12", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 66.183, "axes": {"activity": 30.0, "binding": 14.08, "selectivity": 5.51, "admet": 5.07, "novelty": 7.55, "synthesis": 3.97}, "detail": {"activity": {"pAct_q10": 6.458, "fraction": 1.0}, "binding": {"pIC50": 7.29, "LE": 0.277, "potency_term": 0.762, "efficiency_cap": 0.924}, "selectivity": {"fold": 5.3, "selectivity_term": 0.362, "target_engagement": 0.762}, "admet": {"geometric_mean": 0.338, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.171, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.702, "herg": 0.05, "dili": 0.112}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.457851417208426, "aff_pf": -1.2859082619349163, "aff_hs": -0.5628448923428854, "repeats_pf": {"runs": 3, "values": [-1.247, -1.2965, -1.3143], "mean": -1.2859, "spread": 0.0673}, "repeats_hs": {"runs": 3, "values": [-0.5194, -0.6074, -0.5618], "mean": -0.5628, "spread": 0.088}, "at": 1787936990}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925628, "scored_at": 1787936990, "rank": null}, {"candidate_id": "ODC-44E590", "res_at": 1787285740, "skeleton": "HUAHFYVNHZYGKF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········2)CC1", "total": 66.049, "axes": {"activity": 30.0, "binding": 11.83, "selectivity": 7.21, "admet": 5.75, "novelty": 7.55, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.582, "fraction": 1.0}, "binding": {"pIC50": 7.0, "LE": 0.266, "potency_term": 0.666, "efficiency_cap": 0.888}, "selectivity": {"fold": 12.1, "selectivity_term": 0.541, "target_engagement": 0.666}, "admet": {"geometric_mean": 0.383, "per_endpoint": {"solubility-aqsoldb": 0.396, "caco2-wang": 0.567, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.146, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.784, "herg": 0.068, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 6.581565191916337, "aff_pf": -0.9990595181783041, "aff_hs": 0.08295452843109767, "repeats_pf": {"runs": 3, "values": [-1.0574, -0.8311, -1.1087], "mean": -0.9991, "spread": 0.2777}, "repeats_hs": {"runs": 3, "values": [0.0556, 0.1499, 0.0434], "mean": 0.083, "spread": 0.1065}, "at": 1787285740}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787281047, "scored_at": 1787285740, "rank": null}, {"candidate_id": "ODC-1F560C", "res_at": 1787934119, "skeleton": "LBVIEWVOPJKSFQ", "hf_user": "1Dmeds", "display_name": "ODC26-S1-X03", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "C=CCCCN··········l)CC1", "total": 65.804, "axes": {"activity": 24.91, "binding": 14.7, "selectivity": 13.38, "admet": 3.48, "novelty": 6.13, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 6.095, "fraction": 0.83}, "binding": {"pIC50": 7.36, "LE": 0.28, "potency_term": 0.787, "efficiency_cap": 0.934}, "selectivity": {"fold": 50.2, "selectivity_term": 0.85, "target_engagement": 0.787}, "admet": {"geometric_mean": 0.279, "per_endpoint": {"solubility-aqsoldb": 0.179, "caco2-wang": 0.494, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.596, "herg": 0.05, "dili": 0.282}}, "novelty": {"max_tanimoto": 0.261, "novelty": 0.739}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.09473107737902, "aff_pf": -1.3607910871505737, "aff_hs": 0.3399224678675334, "repeats_pf": {"runs": 3, "values": [-1.3478, -1.3633, -1.3713], "mean": -1.3608, "spread": 0.0235}, "repeats_hs": {"runs": 3, "values": [0.5274, 0.0978, 0.3945], "mean": 0.3399, "spread": 0.4296}, "at": 1787934119}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787927646, "scored_at": 1787934119, "rank": null}, {"candidate_id": "ODC-9529D7", "res_at": 1787118462, "skeleton": "KXJWDDZZFVUOTM", "hf_user": "Flansma", "display_name": "Flansma", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)COC1", "total": 65.574, "axes": {"activity": 30.0, "binding": 11.14, "selectivity": 6.53, "admet": 6.44, "novelty": 7.5, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.44, "fraction": 1.0}, "binding": {"pIC50": 6.82, "LE": 0.275, "potency_term": 0.608, "efficiency_cap": 0.916}, "selectivity": {"fold": 11.9, "selectivity_term": 0.537, "target_engagement": 0.608}, "admet": {"geometric_mean": 0.43, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 0.52, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.306, "cyp3a4-substrate-carbonmangels": 0.596, "ld50-zhu": 0.498, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.43955534816349, "aff_pf": -0.8232909043629965, "aff_hs": 0.2516412486632665, "repeats_pf": {"runs": 3, "values": [-0.898, -0.7406, -0.8313], "mean": -0.8233, "spread": 0.1573}, "repeats_hs": {"runs": 3, "values": [0.0428, 0.5158, 0.1963], "mean": 0.2516, "spread": 0.4729}, "at": 1787118462}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787101118, "scored_at": 1787118462, "rank": null}, {"candidate_id": "ODC-7A537A", "res_at": 1787711226, "skeleton": "GGRWMTVXERAGNE", "hf_user": "ssssseeeeoooocccckkkk", "display_name": "seock", "model_name": "", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(O··········(F)C1", "total": 65.314, "axes": {"activity": 29.1, "binding": 13.21, "selectivity": 5.81, "admet": 8.3, "novelty": 7.38, "synthesis": 1.52}, "detail": {"activity": {"pAct_q10": 6.346, "fraction": 0.97}, "binding": {"pIC50": 6.98, "LE": 0.319, "potency_term": 0.661, "efficiency_cap": 1.0}, "selectivity": {"fold": 7.6, "selectivity_term": 0.44, "target_engagement": 0.661}, "admet": {"geometric_mean": 0.57, "per_endpoint": {"solubility-aqsoldb": 0.389, "caco2-wang": 0.719, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.563, "cyp2c9-veith": 0.982, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.788, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.24, "novelty": 0.76}, "synthesis": {"sa_score": 4.91}}, "run": {"gpu": "3", "pAct_q10": 6.345818280557939, "aff_pf": -0.9822345574696859, "aff_hs": -0.10247141619523366, "repeats_pf": {"runs": 3, "values": [-1.0391, -0.8635, -1.0441], "mean": -0.9822, "spread": 0.1805}, "repeats_hs": {"runs": 3, "values": [-0.0037, -0.1152, -0.1885], "mean": -0.1025, "spread": 0.1848}, "at": 1787711226}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787709660, "scored_at": 1787711226, "rank": null}, {"candidate_id": "ODC-980E72", "res_at": 1787550617, "skeleton": "SWEQEKHQLDBQNY", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC1(CCN··········2)CC1", "total": 65.058, "axes": {"activity": 26.53, "binding": 18.22, "selectivity": 6.26, "admet": 4.3, "novelty": 6.25, "synthesis": 3.5}, "detail": {"activity": {"pAct_q10": 6.192, "fraction": 0.884}, "binding": {"pIC50": 7.77, "LE": 0.296, "potency_term": 0.924, "efficiency_cap": 0.986}, "selectivity": {"fold": 4.8, "selectivity_term": 0.339, "target_engagement": 0.924}, "admet": {"geometric_mean": 0.314, "per_endpoint": {"solubility-aqsoldb": 0.274, "caco2-wang": 0.478, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.123, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.787, "herg": 0.05, "dili": 0.178}}, "novelty": {"max_tanimoto": 0.314, "novelty": 0.686}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.19170123224821, "aff_pf": -1.7721176544825237, "aff_hs": -1.0942797263463337, "repeats_pf": {"runs": 3, "values": [-1.7622, -1.7904, -1.7638], "mean": -1.7721, "spread": 0.0282}, "repeats_hs": {"runs": 3, "values": [-1.0565, -1.2175, -1.0088], "mean": -1.0943, "spread": 0.2086}, "at": 1787550617}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787527287, "scored_at": 1787550617, "rank": null}, {"candidate_id": "ODC-AE96E2", "res_at": 1788296028, "skeleton": "WLJBHMAHLFKBOH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R155-A-H1-az-g-C6-3Mepentyl", "model_name": "1Dmeds", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCC(C)C··········N)CC1", "total": 64.828, "axes": {"activity": 29.08, "binding": 16.85, "selectivity": 3.6, "admet": 5.21, "novelty": 6.92, "synthesis": 3.17}, "detail": {"activity": {"pAct_q10": 6.345, "fraction": 0.969}, "binding": {"pIC50": 7.62, "LE": 0.29, "potency_term": 0.872, "efficiency_cap": 0.966}, "selectivity": {"fold": 2.6, "selectivity_term": 0.207, "target_engagement": 0.872}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.38, "caco2-wang": 0.33, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.125, "cyp2c9-veith": 0.424, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.635, "herg": 0.05, "dili": 0.243}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.71}}, "run": {"gpu": "0", "pAct_q10": 6.344620653414633, "aff_pf": -1.6163724660873413, "aff_hs": -1.2033179601033528, "repeats_pf": {"runs": 3, "values": [-1.7011, -1.5933, -1.5547], "mean": -1.6164, "spread": 0.1464}, "repeats_hs": {"runs": 3, "values": [-1.1964, -1.1907, -1.2229], "mean": -1.2033, "spread": 0.0322}, "at": 1788296028}, "tier": 2, "alerts": ["아지리딘"], "total_sd": 0.682, "total_ci95": [63.779, 66.43], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1788271553, "scored_at": 1788296028, "rank": null}, {"candidate_id": "ODC-A034D9", "res_at": 1787901852, "skeleton": "XUYJOHDVZMSZNC", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········F)CC1", "total": 64.533, "axes": {"activity": 30.0, "binding": 12.44, "selectivity": 5.01, "admet": 5.71, "novelty": 7.42, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.454, "fraction": 1.0}, "binding": {"pIC50": 6.99, "LE": 0.282, "potency_term": 0.663, "efficiency_cap": 0.939}, "selectivity": {"fold": 5.7, "selectivity_term": 0.378, "target_engagement": 0.663}, "admet": {"geometric_mean": 0.38, "per_endpoint": {"solubility-aqsoldb": 0.313, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.251, "ld50-zhu": 0.667, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.258, "novelty": 0.742}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "0", "pAct_q10": 6.454196266994747, "aff_pf": -0.9878902633984884, "aff_hs": -0.23145712415377298, "repeats_pf": {"runs": 3, "values": [-0.9805, -1.0285, -0.9546], "mean": -0.9879, "spread": 0.0738}, "repeats_hs": {"runs": 3, "values": [-0.1992, -0.3767, -0.1185], "mean": -0.2315, "spread": 0.2582}, "at": 1787901852}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787879530, "scored_at": 1787901852, "rank": null}, {"candidate_id": "ODC-7003A4", "res_at": 1787387482, "skeleton": "BNXWAASENYDUBD", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 64.423, "axes": {"activity": 27.74, "binding": 14.32, "selectivity": 6.88, "admet": 5.35, "novelty": 6.31, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.264, "fraction": 0.925}, "binding": {"pIC50": 7.17, "LE": 0.298, "potency_term": 0.722, "efficiency_cap": 0.992}, "selectivity": {"fold": 9.0, "selectivity_term": 0.477, "target_engagement": 0.722}, "admet": {"geometric_mean": 0.386, "per_endpoint": {"solubility-aqsoldb": 0.562, "caco2-wang": 0.36, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.161, "cyp3a4-substrate-carbonmangels": 0.077, "ld50-zhu": 0.587, "herg": 0.05, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 3.11}}, "run": {"gpu": "3", "pAct_q10": 6.264349319592015, "aff_pf": -1.1661690473556519, "aff_hs": -0.21268885831038156, "repeats_pf": {"runs": 3, "values": [-1.0755, -1.305, -1.118], "mean": -1.1662, "spread": 0.2295}, "repeats_hs": {"runs": 3, "values": [-0.431, 0.0001, -0.2071], "mean": -0.2127, "spread": 0.4311}, "at": 1787387482}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787387275, "scored_at": 1787387482, "rank": null}, {"candidate_id": "ODC-8688AD", "res_at": 1787358774, "skeleton": "YTFNKZDRFGDUCB", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCN(C··········F)CC1", "total": 64.375, "axes": {"activity": 30.0, "binding": 12.95, "selectivity": 4.96, "admet": 5.02, "novelty": 7.61, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.618, "fraction": 1.0}, "binding": {"pIC50": 7.14, "LE": 0.272, "potency_term": 0.714, "efficiency_cap": 0.906}, "selectivity": {"fold": 4.9, "selectivity_term": 0.347, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.252, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.083, "cyp2c9-veith": 0.403, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.784, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.239, "novelty": 0.761}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.61821928693519, "aff_pf": -1.1434284845987956, "aff_hs": -0.44976093371709186, "repeats_pf": {"runs": 3, "values": [-1.116, -1.1376, -1.1767], "mean": -1.1434, "spread": 0.0607}, "repeats_hs": {"runs": 3, "values": [-0.4771, -0.4082, -0.4639], "mean": -0.4498, "spread": 0.0689}, "at": 1787358774}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787355909, "scored_at": 1787358774, "rank": null}, {"candidate_id": "ODC-886B3F", "res_at": 1787501034, "skeleton": "DJVRZIMZNJDHDW", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)(C··········F)CC1", "total": 64.163, "axes": {"activity": 30.0, "binding": 13.92, "selectivity": 4.3, "admet": 4.6, "novelty": 7.53, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.457, "fraction": 1.0}, "binding": {"pIC50": 7.27, "LE": 0.277, "potency_term": 0.755, "efficiency_cap": 0.922}, "selectivity": {"fold": 3.7, "selectivity_term": 0.285, "target_engagement": 0.755}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.055, "caco2-wang": 0.54, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.395, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.198, "ld50-zhu": 0.726, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.4574199566502335, "aff_pf": -1.2658463319142659, "aff_hs": -0.6964987913767496, "repeats_pf": {"runs": 3, "values": [-1.3555, -1.2244, -1.2177], "mean": -1.2658, "spread": 0.1377}, "repeats_hs": {"runs": 3, "values": [-0.8014, -0.6563, -0.6318], "mean": -0.6965, "spread": 0.1696}, "at": 1787501034}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787493680, "scored_at": 1787501034, "rank": null}, {"candidate_id": "ODC-D4D3BC", "res_at": 1787610500, "skeleton": "XEIOIWCDLIZHLX", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 63.985, "axes": {"activity": 30.0, "binding": 10.55, "selectivity": 6.65, "admet": 5.48, "novelty": 7.14, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.458, "fraction": 1.0}, "binding": {"pIC50": 6.75, "LE": 0.272, "potency_term": 0.582, "efficiency_cap": 0.906}, "selectivity": {"fold": 13.9, "selectivity_term": 0.571, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.365, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.551, "hia-hou": 1.0, "bioavailability-ma": 0.927, "pgp-broccatelli": 0.381, "cyp2c9-veith": 0.425, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.67, "herg": 0.05, "dili": 0.051}}, "novelty": {"max_tanimoto": 0.286, "novelty": 0.714}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "3", "pAct_q10": 6.457901374216921, "aff_pf": -0.7468467553456625, "aff_hs": 0.3954738477865855, "repeats_pf": {"runs": 3, "values": [-0.6612, -0.9875, -0.5919], "mean": -0.7468, "spread": 0.3956}, "repeats_hs": {"runs": 3, "values": [0.5027, 0.4135, 0.2702], "mean": 0.3955, "spread": 0.2324}, "at": 1787610500}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787609604, "scored_at": 1787610500, "rank": null}, {"candidate_id": "ODC-428E6B", "res_at": 1787063125, "skeleton": "SNKBIBLQQGYFEQ", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R10", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 63.256, "axes": {"activity": 21.78, "binding": 16.02, "selectivity": 12.64, "admet": 4.53, "novelty": 5.15, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.907, "fraction": 0.726}, "binding": {"pIC50": 7.4, "LE": 0.376, "potency_term": 0.801, "efficiency_cap": 1.0}, "selectivity": {"fold": 37.9, "selectivity_term": 0.789, "target_engagement": 0.801}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.125, "caco2-wang": 0.666, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.479, "ld50-zhu": 0.624, "herg": 0.136, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.357, "novelty": 0.643}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 5.906804070962636, "aff_pf": -1.4022989670435588, "aff_hs": 0.17666317522525787, "repeats_pf": {"runs": 3, "values": [-1.3257, -1.5623, -1.3189], "mean": -1.4023, "spread": 0.2434}, "repeats_hs": {"runs": 3, "values": [0.1301, 0.2343, 0.1656], "mean": 0.1767, "spread": 0.1042}, "at": 1787063125}, "tier": 2, "alerts": ["알파할로_헤테로원자", "이할로메틸_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자, 이할로메틸_헤테로원자"], "submitted_at": 1787061633, "scored_at": 1787063125, "rank": null}, {"candidate_id": "ODC-41A62B", "res_at": 1787435247, "skeleton": "SKQOVRGCVYCCIY", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········F)CC1", "total": 63.196, "axes": {"activity": 27.06, "binding": 14.62, "selectivity": 7.54, "admet": 3.61, "novelty": 6.76, "synthesis": 3.61}, "detail": {"activity": {"pAct_q10": 6.223, "fraction": 0.902}, "binding": {"pIC50": 7.35, "LE": 0.28, "potency_term": 0.784, "efficiency_cap": 0.933}, "selectivity": {"fold": 9.1, "selectivity_term": 0.481, "target_engagement": 0.784}, "admet": {"geometric_mean": 0.267, "per_endpoint": {"solubility-aqsoldb": 0.089, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.129, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.712, "herg": 0.078, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.223415973750071, "aff_pf": -1.3515209754308064, "aff_hs": -0.3901434938112895, "repeats_pf": {"runs": 3, "values": [-1.3319, -1.2792, -1.4434], "mean": -1.3515, "spread": 0.1642}, "repeats_hs": {"runs": 3, "values": [-0.3208, -0.3915, -0.4581], "mean": -0.3901, "spread": 0.1373}, "at": 1787435247}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787434870, "scored_at": 1787435247, "rank": null}, {"candidate_id": "ODC-FE233E", "res_at": 1787983626, "skeleton": "MCJNNQWNNJFAKY", "hf_user": "1Dmeds", "display_name": "ODC26-S1-R150-17", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········2)CC1", "total": 63.159, "axes": {"activity": 30.0, "binding": 10.62, "selectivity": 5.74, "admet": 5.67, "novelty": 6.96, "synthesis": 4.16}, "detail": {"activity": {"pAct_q10": 6.619, "fraction": 1.0}, "binding": {"pIC50": 6.76, "LE": 0.272, "potency_term": 0.585, "efficiency_cap": 0.907}, "selectivity": {"fold": 9.6, "selectivity_term": 0.491, "target_engagement": 0.585}, "admet": {"geometric_mean": 0.378, "per_endpoint": {"solubility-aqsoldb": 0.373, "caco2-wang": 0.471, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.693, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.722, "herg": 0.05, "dili": 0.334}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.09}}, "run": {"gpu": "0", "pAct_q10": 6.618770783804498, "aff_pf": -0.7553523977597555, "aff_hs": 0.22597560534874597, "repeats_pf": {"runs": 3, "values": [-0.6994, -0.8021, -0.7646], "mean": -0.7554, "spread": 0.1028}, "repeats_hs": {"runs": 3, "values": [0.3073, 0.4434, -0.0728], "mean": 0.226, "spread": 0.5161}, "at": 1787983626}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787967451, "scored_at": 1787983626, "rank": null}, {"candidate_id": "ODC-6860BA", "res_at": 1787209785, "skeleton": "DNWMVWKRKVOOJI", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCNC(··········2)CC1", "total": 63.135, "axes": {"activity": 30.0, "binding": 10.14, "selectivity": 6.23, "admet": 5.6, "novelty": 6.79, "synthesis": 4.37}, "detail": {"activity": {"pAct_q10": 6.608, "fraction": 1.0}, "binding": {"pIC50": 6.65, "LE": 0.276, "potency_term": 0.551, "efficiency_cap": 0.92}, "selectivity": {"fold": 13.6, "selectivity_term": 0.566, "target_engagement": 0.551}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.399, "caco2-wang": 0.43, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.256, "cyp2c9-veith": 0.186, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.636, "herg": 0.072, "dili": 0.186}}, "novelty": {"max_tanimoto": 0.321, "novelty": 0.679}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "3", "pAct_q10": 6.607838939705524, "aff_pf": -0.6517064571380615, "aff_hs": 0.48062705993652344, "repeats_pf": {"runs": 3, "values": [-0.6749, -0.6481, -0.6321], "mean": -0.6517, "spread": 0.0429}, "repeats_hs": {"runs": 3, "values": [0.4978, 0.3153, 0.6288], "mean": 0.4806, "spread": 0.3135}, "at": 1787209785}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787207369, "scored_at": 1787209785, "rank": null}, {"candidate_id": "ODC-9CD666", "res_at": 1787209173, "skeleton": "QTUJSWFDWYUSSU", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········)CCC1", "total": 63.124, "axes": {"activity": 30.0, "binding": 9.92, "selectivity": 6.38, "admet": 5.65, "novelty": 6.84, "synthesis": 4.34}, "detail": {"activity": {"pAct_q10": 6.519, "fraction": 1.0}, "binding": {"pIC50": 6.62, "LE": 0.275, "potency_term": 0.541, "efficiency_cap": 0.917}, "selectivity": {"fold": 15.1, "selectivity_term": 0.59, "target_engagement": 0.541}, "admet": {"geometric_mean": 0.377, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.411, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.244, "cyp2c9-veith": 0.394, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.665, "herg": 0.05, "dili": 0.175}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 2.96}}, "run": {"gpu": "3", "pAct_q10": 6.5192365997844295, "aff_pf": -0.6231022675832113, "aff_hs": 0.5564274489879608, "repeats_pf": {"runs": 3, "values": [-0.5513, -0.5714, -0.7466], "mean": -0.6231, "spread": 0.1953}, "repeats_hs": {"runs": 3, "values": [0.5773, 0.4723, 0.6197], "mean": 0.5564, "spread": 0.1473}, "at": 1787209173}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787207294, "scored_at": 1787209173, "rank": null}, {"candidate_id": "ODC-063858", "res_at": 1787387866, "skeleton": "ZVSIFUDMJCFXRH", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········l)CC1", "total": 62.783, "axes": {"activity": 26.96, "binding": 13.31, "selectivity": 7.22, "admet": 5.33, "novelty": 6.27, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.217, "fraction": 0.899}, "binding": {"pIC50": 7.14, "LE": 0.28, "potency_term": 0.714, "efficiency_cap": 0.932}, "selectivity": {"fold": 10.2, "selectivity_term": 0.505, "target_engagement": 0.714}, "admet": {"geometric_mean": 0.396, "per_endpoint": {"solubility-aqsoldb": 0.619, "caco2-wang": 0.313, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.115, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.654, "herg": 0.05, "dili": 0.198}}, "novelty": {"max_tanimoto": 0.302, "novelty": 0.698}, "synthesis": {"sa_score": 3.12}}, "run": {"gpu": "3", "pAct_q10": 6.217462010277464, "aff_pf": -1.1422301133473713, "aff_hs": -0.13182589411735535, "repeats_pf": {"runs": 3, "values": [-1.1437, -1.141, -1.142], "mean": -1.1422, "spread": 0.0027}, "repeats_hs": {"runs": 3, "values": [-0.1948, -0.1612, -0.0394], "mean": -0.1318, "spread": 0.1554}, "at": 1787387866}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787387285, "scored_at": 1787387866, "rank": null}, {"candidate_id": "ODC-6D4B00", "res_at": 1787942894, "skeleton": "GYLMVUYJOMFWRE", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 62.511, "axes": {"activity": 27.58, "binding": 12.99, "selectivity": 5.45, "admet": 6.04, "novelty": 6.96, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 6.255, "fraction": 0.919}, "binding": {"pIC50": 7.15, "LE": 0.272, "potency_term": 0.716, "efficiency_cap": 0.907}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.716}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.431, "caco2-wang": 0.455, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.825, "cyp2c9-veith": 0.312, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.793, "herg": 0.129, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 3.34}}, "run": {"gpu": "0", "pAct_q10": 6.254876928762181, "aff_pf": -1.1485754251480103, "aff_hs": -0.38752496739228565, "repeats_pf": {"runs": 3, "values": [-1.0645, -1.0366, -1.3446], "mean": -1.1486, "spread": 0.308}, "repeats_hs": {"runs": 3, "values": [-0.3882, -0.1741, -0.6002], "mean": -0.3875, "spread": 0.426}, "at": 1787942894}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787928640, "scored_at": 1787942894, "rank": null}, {"candidate_id": "ODC-7D61D3", "res_at": 1787936589, "skeleton": "BYWNRPFVQASBOW", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 62.329, "axes": {"activity": 29.61, "binding": 9.36, "selectivity": 6.72, "admet": 5.43, "novelty": 7.22, "synthesis": 3.98}, "detail": {"activity": {"pAct_q10": 6.376, "fraction": 0.987}, "binding": {"pIC50": 6.62, "LE": 0.259, "potency_term": 0.542, "efficiency_cap": 0.864}, "selectivity": {"fold": 17.4, "selectivity_term": 0.62, "target_engagement": 0.542}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.445, "caco2-wang": 0.366, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.97, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.582, "herg": 0.05, "dili": 0.27}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.376418622412066, "aff_pf": -0.6248916188875834, "aff_hs": 0.6155178646246592, "repeats_pf": {"runs": 3, "values": [-0.637, -0.6628, -0.5748], "mean": -0.6249, "spread": 0.088}, "repeats_hs": {"runs": 3, "values": [0.6728, 0.4711, 0.7027], "mean": 0.6155, "spread": 0.2316}, "at": 1787936589}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929160, "scored_at": 1787936589, "rank": null}, {"candidate_id": "ODC-A012B8", "res_at": 1787937453, "skeleton": "WSHZECARXCKZCH", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W14", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 62.13, "axes": {"activity": 28.01, "binding": 11.38, "selectivity": 7.34, "admet": 4.69, "novelty": 7.0, "synthesis": 3.7}, "detail": {"activity": {"pAct_q10": 6.281, "fraction": 0.934}, "binding": {"pIC50": 6.94, "LE": 0.264, "potency_term": 0.647, "efficiency_cap": 0.88}, "selectivity": {"fold": 13.6, "selectivity_term": 0.568, "target_engagement": 0.647}, "admet": {"geometric_mean": 0.335, "per_endpoint": {"solubility-aqsoldb": 0.169, "caco2-wang": 0.511, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.139, "cyp2c9-veith": 0.199, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.684, "herg": 0.05, "dili": 0.308}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "0", "pAct_q10": 6.280773922878645, "aff_pf": -0.9398531317710876, "aff_hs": 0.19521874686082205, "repeats_pf": {"runs": 3, "values": [-0.9861, -0.9285, -0.9049], "mean": -0.9399, "spread": 0.0812}, "repeats_hs": {"runs": 3, "values": [0.2266, 0.2895, 0.0696], "mean": 0.1952, "spread": 0.2199}, "at": 1787937453}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925651, "scored_at": 1787937453, "rank": null}, {"candidate_id": "ODC-C9981E", "res_at": 1787898018, "skeleton": "HOAJYIGPICLAMI", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········F)CC1", "total": 61.862, "axes": {"activity": 30.0, "binding": 10.9, "selectivity": 3.93, "admet": 6.14, "novelty": 6.96, "synthesis": 3.93}, "detail": {"activity": {"pAct_q10": 6.491, "fraction": 1.0}, "binding": {"pIC50": 6.79, "LE": 0.274, "potency_term": 0.598, "efficiency_cap": 0.912}, "selectivity": {"fold": 4.5, "selectivity_term": 0.329, "target_engagement": 0.598}, "admet": {"geometric_mean": 0.409, "per_endpoint": {"solubility-aqsoldb": 0.374, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.944, "cyp2c9-veith": 0.077, "cyp3a4-substrate-carbonmangels": 0.251, "ld50-zhu": 0.716, "herg": 0.05, "dili": 0.064}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.490522426407146, "aff_pf": -0.7926552494366964, "aff_hs": -0.1354715327421824, "repeats_pf": {"runs": 3, "values": [-0.8524, -0.7133, -0.8123], "mean": -0.7927, "spread": 0.1391}, "repeats_hs": {"runs": 3, "values": [-0.0828, -0.168, -0.1556], "mean": -0.1355, "spread": 0.0851}, "at": 1787898018}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787879545, "scored_at": 1787898018, "rank": null}, {"candidate_id": "ODC-F51B52", "res_at": 1787209582, "skeleton": "AHYVIXUCHCVNNO", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········F)CC1", "total": 61.862, "axes": {"activity": 30.0, "binding": 11.25, "selectivity": 3.31, "admet": 5.81, "novelty": 7.5, "synthesis": 3.99}, "detail": {"activity": {"pAct_q10": 6.41, "fraction": 1.0}, "binding": {"pIC50": 6.84, "LE": 0.276, "potency_term": 0.613, "efficiency_cap": 0.918}, "selectivity": {"fold": 3.5, "selectivity_term": 0.271, "target_engagement": 0.613}, "admet": {"geometric_mean": 0.387, "per_endpoint": {"solubility-aqsoldb": 0.339, "caco2-wang": 0.598, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.972, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.262, "ld50-zhu": 0.715, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.409627992789368, "aff_pf": -0.8376031517982483, "aff_hs": -0.2964657445748647, "repeats_pf": {"runs": 3, "values": [-1.0119, -0.7153, -0.7856], "mean": -0.8376, "spread": 0.2965}, "repeats_hs": {"runs": 3, "values": [-0.2537, -0.3409, -0.2948], "mean": -0.2965, "spread": 0.0872}, "at": 1787209582}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787207344, "scored_at": 1787209582, "rank": null}, {"candidate_id": "ODC-88A748", "res_at": 1787208966, "skeleton": "NSBKAZJDOZHPJV", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CN··········)CCC1", "total": 60.547, "axes": {"activity": 30.0, "binding": 10.9, "selectivity": 4.14, "admet": 4.4, "novelty": 6.84, "synthesis": 4.28}, "detail": {"activity": {"pAct_q10": 6.425, "fraction": 1.0}, "binding": {"pIC50": 6.79, "LE": 0.274, "potency_term": 0.597, "efficiency_cap": 0.912}, "selectivity": {"fold": 4.9, "selectivity_term": 0.346, "target_engagement": 0.597}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.219, "caco2-wang": 0.423, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.248, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.733, "herg": 0.05, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.316, "novelty": 0.684}, "synthesis": {"sa_score": 3.01}}, "run": {"gpu": "3", "pAct_q10": 6.425441733000833, "aff_pf": -0.791784405708313, "aff_hs": -0.09943751742442448, "repeats_pf": {"runs": 3, "values": [-0.7341, -0.8965, -0.7447], "mean": -0.7918, "spread": 0.1624}, "repeats_hs": {"runs": 3, "values": [-0.1823, -0.0627, -0.0533], "mean": -0.0994, "spread": 0.129}, "at": 1787208966}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787207284, "scored_at": 1787208966, "rank": null}, {"candidate_id": "ODC-303812", "res_at": 1787943365, "skeleton": "LPKLSNXHEXBCSS", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········C)CC1", "total": 60.51, "axes": {"activity": 27.67, "binding": 11.73, "selectivity": 5.52, "admet": 5.14, "novelty": 6.89, "synthesis": 3.56}, "detail": {"activity": {"pAct_q10": 6.26, "fraction": 0.922}, "binding": {"pIC50": 6.99, "LE": 0.266, "potency_term": 0.662, "efficiency_cap": 0.886}, "selectivity": {"fold": 6.8, "selectivity_term": 0.417, "target_engagement": 0.662}, "admet": {"geometric_mean": 0.371, "per_endpoint": {"solubility-aqsoldb": 0.378, "caco2-wang": 0.379, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.83, "cyp2c9-veith": 0.078, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.625, "herg": 0.05, "dili": 0.27}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "0", "pAct_q10": 6.260154514048562, "aff_pf": -0.9860804080963135, "aff_hs": -0.15245182315508524, "repeats_pf": {"runs": 3, "values": [-1.0666, -0.9364, -0.9552], "mean": -0.9861, "spread": 0.1303}, "repeats_hs": {"runs": 3, "values": [-0.2591, 0.1511, -0.3493], "mean": -0.1525, "spread": 0.5004}, "at": 1787943365}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929153, "scored_at": 1787943365, "rank": null}, {"candidate_id": "ODC-188837", "res_at": 1787927026, "skeleton": "CSGNLLRTLQHGMW", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W13", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 60.427, "axes": {"activity": 26.09, "binding": 15.11, "selectivity": 5.99, "admet": 3.43, "novelty": 6.34, "synthesis": 3.46}, "detail": {"activity": {"pAct_q10": 6.166, "fraction": 0.87}, "binding": {"pIC50": 7.41, "LE": 0.282, "potency_term": 0.804, "efficiency_cap": 0.94}, "selectivity": {"fold": 5.6, "selectivity_term": 0.373, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.263, "per_endpoint": {"solubility-aqsoldb": 0.098, "caco2-wang": 0.489, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.284}}, "novelty": {"max_tanimoto": 0.271, "novelty": 0.729}, "synthesis": {"sa_score": 3.21}}, "run": {"gpu": "3", "pAct_q10": 6.165614852693894, "aff_pf": -1.4108373324076335, "aff_hs": -0.6654470364252726, "repeats_pf": {"runs": 3, "values": [-1.3786, -1.3948, -1.4591], "mean": -1.4108, "spread": 0.0806}, "repeats_hs": {"runs": 3, "values": [-0.6203, -0.6409, -0.7352], "mean": -0.6654, "spread": 0.1149}, "at": 1787927026}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925640, "scored_at": 1787927026, "rank": null}, {"candidate_id": "ODC-2D55C6", "res_at": 1787358576, "skeleton": "UJSSCBNJAYDKED", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCN(C··········l)CC1", "total": 60.236, "axes": {"activity": 30.0, "binding": 10.87, "selectivity": 3.64, "admet": 4.79, "novelty": 6.9, "synthesis": 4.05}, "detail": {"activity": {"pAct_q10": 6.469, "fraction": 1.0}, "binding": {"pIC50": 6.83, "LE": 0.267, "potency_term": 0.61, "efficiency_cap": 0.891}, "selectivity": {"fold": 4.0, "selectivity_term": 0.298, "target_engagement": 0.61}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.276, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.255, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.684, "herg": 0.05, "dili": 0.121}}, "novelty": {"max_tanimoto": 0.31, "novelty": 0.69}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "3", "pAct_q10": 6.46919271073036, "aff_pf": -0.829398532708486, "aff_hs": -0.23264249165852866, "repeats_pf": {"runs": 3, "values": [-0.7149, -0.8842, -0.889], "mean": -0.8294, "spread": 0.1741}, "repeats_hs": {"runs": 3, "values": [-0.2846, -0.3029, -0.1104], "mean": -0.2326, "spread": 0.1925}, "at": 1787358576}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787355902, "scored_at": 1787358576, "rank": null}, {"candidate_id": "ODC-7154B5", "res_at": 1787933436, "skeleton": "GUMKWPYIGBYLSP", "hf_user": "1Dmeds", "display_name": "ODC26-S1-W23", "model_name": "Claude Opus 5 · TZP C5-amide cycloalkyl", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 60.077, "axes": {"activity": 25.82, "binding": 13.41, "selectivity": 7.06, "admet": 3.9, "novelty": 6.5, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 6.149, "fraction": 0.861}, "binding": {"pIC50": 7.25, "LE": 0.268, "potency_term": 0.75, "efficiency_cap": 0.895}, "selectivity": {"fold": 8.7, "selectivity_term": 0.471, "target_engagement": 0.75}, "admet": {"geometric_mean": 0.302, "per_endpoint": {"solubility-aqsoldb": 0.133, "caco2-wang": 0.454, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.433, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.162}}, "novelty": {"max_tanimoto": 0.244, "novelty": 0.756}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 6.149155684740274, "aff_pf": -1.2485485871632893, "aff_hs": -0.30719152092933655, "repeats_pf": {"runs": 3, "values": [-1.2662, -1.2178, -1.2617], "mean": -1.2485, "spread": 0.0484}, "repeats_hs": {"runs": 3, "values": [-0.3371, -0.2292, -0.3552], "mean": -0.3072, "spread": 0.126}, "at": 1787933436}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787925725, "scored_at": 1787933436, "rank": null}, {"candidate_id": "ODC-86354F", "res_at": 1787457908, "skeleton": "OZWDTOGQZLMDPP", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCC(C)··········F)CC1", "total": 59.671, "axes": {"activity": 30.0, "binding": 14.53, "selectivity": 0.06, "admet": 4.43, "novelty": 6.78, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 6.599, "fraction": 1.0}, "binding": {"pIC50": 7.39, "LE": 0.274, "potency_term": 0.797, "efficiency_cap": 0.912}, "selectivity": {"fold": 1.0, "selectivity_term": 0.004, "target_engagement": 0.797}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.128, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.395, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.786, "herg": 0.05, "dili": 0.061}}, "novelty": {"max_tanimoto": 0.322, "novelty": 0.678}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 6.599469486573382, "aff_pf": -1.3898457288742065, "aff_hs": -1.3818238178888957, "repeats_pf": {"runs": 3, "values": [-1.519, -1.2825, -1.3681], "mean": -1.3898, "spread": 0.2365}, "repeats_hs": {"runs": 3, "values": [-1.408, -1.3332, -1.4042], "mean": -1.3818, "spread": 0.0748}, "at": 1787457908}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787457520, "scored_at": 1787457908, "rank": null}, {"candidate_id": "ODC-26726F", "res_at": 1787358973, "skeleton": "WEZLWXHZVFEKMS", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCN(C··········l)CC1", "total": 59.468, "axes": {"activity": 30.0, "binding": 10.63, "selectivity": 2.83, "admet": 4.63, "novelty": 7.53, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 6.495, "fraction": 1.0}, "binding": {"pIC50": 6.84, "LE": 0.26, "potency_term": 0.613, "efficiency_cap": 0.867}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.613}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.255, "caco2-wang": 0.688, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.219, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.3}}, "run": {"gpu": "3", "pAct_q10": 6.495065778194338, "aff_pf": -0.8381671905517578, "aff_hs": -0.37672412395477295, "repeats_pf": {"runs": 3, "values": [-0.7636, -0.8107, -0.9403], "mean": -0.8382, "spread": 0.1767}, "repeats_hs": {"runs": 3, "values": [-0.5442, -0.2909, -0.2951], "mean": -0.3767, "spread": 0.2533}, "at": 1787358973}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787355914, "scored_at": 1787358973, "rank": null}, {"candidate_id": "ODC-218DE2", "res_at": 1787579741, "skeleton": "HNUQNRZDRWANJG", "hf_user": "Ku-ku", "display_name": "KK-M-0824-46", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 59.135, "axes": {"activity": 19.3, "binding": 15.32, "selectivity": 11.97, "admet": 4.77, "novelty": 5.35, "synthesis": 2.42}, "detail": {"activity": {"pAct_q10": 5.758, "fraction": 0.643}, "binding": {"pIC50": 7.3, "LE": 0.385, "potency_term": 0.766, "efficiency_cap": 1.0}, "selectivity": {"fold": 36.5, "selectivity_term": 0.781, "target_engagement": 0.766}, "admet": {"geometric_mean": 0.415, "per_endpoint": {"solubility-aqsoldb": 0.284, "caco2-wang": 0.646, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.411, "cyp3a4-substrate-carbonmangels": 0.175, "ld50-zhu": 0.56, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 3.79}}, "run": {"gpu": "3", "pAct_q10": 5.75825136451904, "aff_pf": -1.2981369495391846, "aff_hs": 0.2641090353329976, "repeats_pf": {"runs": 3, "values": [-1.1724, -1.5127, -1.2093], "mean": -1.2981, "spread": 0.3404}, "repeats_hs": {"runs": 3, "values": [0.1181, 0.4347, 0.2395], "mean": 0.2641, "spread": 0.3165}, "at": 1787579741}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787578581, "scored_at": 1787579741, "rank": null}, {"candidate_id": "ODC-5D5E14", "res_at": 1787887517, "skeleton": "MFCXNSYGCZTWJT", "hf_user": "Ku-ku", "display_name": "KK-M-0827-L22", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········1CCC2", "total": 59.005, "axes": {"activity": 10.24, "binding": 20.0, "selectivity": 13.21, "admet": 5.27, "novelty": 6.42, "synthesis": 3.87}, "detail": {"activity": {"pAct_q10": 5.215, "fraction": 0.341}, "binding": {"pIC50": 8.02, "LE": 0.423, "potency_term": 1.0, "efficiency_cap": 1.0}, "selectivity": {"fold": 20.9, "selectivity_term": 0.66, "target_engagement": 1.0}, "admet": {"geometric_mean": 0.351, "per_endpoint": {"solubility-aqsoldb": 0.159, "caco2-wang": 0.464, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.446, "cyp2c9-veith": 0.17, "cyp3a4-substrate-carbonmangels": 0.507, "ld50-zhu": 0.54, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.358, "novelty": 0.642}, "synthesis": {"sa_score": 3.29}}, "run": {"gpu": "3", "pAct_q10": 5.214528516519109, "aff_pf": -2.019914706548055, "aff_hs": -0.6992518703142802, "repeats_pf": {"runs": 3, "values": [-1.8606, -2.1599, -2.0392], "mean": -2.0199, "spread": 0.2993}, "repeats_hs": {"runs": 3, "values": [-0.6037, -0.8792, -0.6148], "mean": -0.6993, "spread": 0.2755}, "at": 1787887517}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787822384, "scored_at": 1787887517, "rank": null}, {"candidate_id": "ODC-40E694", "res_at": 1787326015, "skeleton": "FMTRZTHSIYZWHS", "hf_user": "Ku-ku", "display_name": "E_4I_SCHFCl", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.855, "axes": {"activity": 17.48, "binding": 15.38, "selectivity": 15.38, "admet": 4.51, "novelty": 3.19, "synthesis": 2.91}, "detail": {"activity": {"pAct_q10": 5.649, "fraction": 0.583}, "binding": {"pIC50": 7.31, "LE": 0.455, "potency_term": 0.769, "efficiency_cap": 1.0}, "selectivity": {"fold": 99.8, "selectivity_term": 1.0, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.391, "per_endpoint": {"solubility-aqsoldb": 0.318, "caco2-wang": 0.698, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.063, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.454, "herg": 0.467, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 5.64905854026079, "aff_pf": -1.3077155749003093, "aff_hs": 0.6913725535074869, "repeats_pf": {"runs": 3, "values": [-1.2139, -1.4401, -1.2691], "mean": -1.3077, "spread": 0.2263}, "repeats_hs": {"runs": 3, "values": [0.663, 0.6737, 0.7374], "mean": 0.6914, "spread": 0.0744}, "at": 1787326015}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787322723, "scored_at": 1787326015, "rank": null}, {"candidate_id": "ODC-425BAE", "res_at": 1787326219, "skeleton": "PKPRJFSYVGBHFV", "hf_user": "Ku-ku", "display_name": "E_4Br_3F_SCHFCl", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 58.22, "axes": {"activity": 18.31, "binding": 15.91, "selectivity": 11.98, "admet": 5.22, "novelty": 3.84, "synthesis": 2.97}, "detail": {"activity": {"pAct_q10": 5.698, "fraction": 0.61}, "binding": {"pIC50": 7.39, "LE": 0.44, "potency_term": 0.795, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.1, "selectivity_term": 0.753, "target_engagement": 0.795}, "admet": {"geometric_mean": 0.438, "per_endpoint": {"solubility-aqsoldb": 0.24, "caco2-wang": 0.793, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.099, "cyp3a4-substrate-carbonmangels": 0.153, "ld50-zhu": 0.456, "herg": 0.726, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.517, "novelty": 0.483}, "synthesis": {"sa_score": 3.39}}, "run": {"gpu": "3", "pAct_q10": 5.698477535672841, "aff_pf": -1.3859171867370605, "aff_hs": 0.11995990574359894, "repeats_pf": {"runs": 3, "values": [-1.4005, -1.3897, -1.3676], "mean": -1.3859, "spread": 0.0329}, "repeats_hs": {"runs": 3, "values": [0.1436, 0.1035, 0.1128], "mean": 0.12, "spread": 0.0401}, "at": 1787326219}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787322727, "scored_at": 1787326219, "rank": null}, {"candidate_id": "ODC-D28B06", "res_at": 1787322860, "skeleton": "FKBQZSZOVWWIFI", "hf_user": "Ku-ku", "display_name": "H_4Br_SCHFCl", "model_name": "Claude-Opus", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 57.863, "axes": {"activity": 18.82, "binding": 14.97, "selectivity": 13.51, "admet": 4.49, "novelty": 3.11, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.729, "fraction": 0.627}, "binding": {"pIC50": 7.25, "LE": 0.451, "potency_term": 0.749, "efficiency_cap": 1.0}, "selectivity": {"fold": 63.8, "selectivity_term": 0.902, "target_engagement": 0.749}, "admet": {"geometric_mean": 0.4, "per_endpoint": {"solubility-aqsoldb": 0.319, "caco2-wang": 0.747, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.494, "herg": 0.62, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.585, "novelty": 0.415}, "synthesis": {"sa_score": 3.24}}, "run": {"gpu": "3", "pAct_q10": 5.729037426317083, "aff_pf": -1.2462414105733235, "aff_hs": 0.5583780606587728, "repeats_pf": {"runs": 3, "values": [-1.2282, -1.1566, -1.3538], "mean": -1.2462, "spread": 0.1972}, "repeats_hs": {"runs": 3, "values": [0.763, 0.5043, 0.4078], "mean": 0.5584, "spread": 0.3552}, "at": 1787322860}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787322670, "scored_at": 1787322860, "rank": null}, {"candidate_id": "ODC-CCF6D6", "res_at": 1787284784, "skeleton": "IVZGYXNDSGLSOG", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 57.756, "axes": {"activity": 28.93, "binding": 9.87, "selectivity": 1.18, "admet": 6.81, "novelty": 7.26, "synthesis": 3.71}, "detail": {"activity": {"pAct_q10": 6.336, "fraction": 0.964}, "binding": {"pIC50": 6.66, "LE": 0.268, "potency_term": 0.552, "efficiency_cap": 0.894}, "selectivity": {"fold": 1.6, "selectivity_term": 0.107, "target_engagement": 0.552}, "admet": {"geometric_mean": 0.471, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.448, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.795, "cyp2c9-veith": 0.113, "cyp3a4-substrate-carbonmangels": 0.648, "ld50-zhu": 0.609, "herg": 0.29, "dili": 0.056}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.335764630242857, "aff_pf": -0.6559238036473592, "aff_hs": -0.4425744265317917, "repeats_pf": {"runs": 3, "values": [-0.6128, -0.6784, -0.6765], "mean": -0.6559, "spread": 0.0656}, "repeats_hs": {"runs": 3, "values": [-0.6011, -0.2344, -0.4922], "mean": -0.4426, "spread": 0.3667}, "at": 1787284784}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787281016, "scored_at": 1787284784, "rank": null}, {"candidate_id": "ODC-A811FC", "res_at": 1788133701, "skeleton": "KIANERVNDLPOHB", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 57.66, "axes": {"activity": 18.86, "binding": 17.98, "selectivity": 6.92, "admet": 4.45, "novelty": 4.96, "synthesis": 4.5}, "detail": {"activity": {"pAct_q10": 5.732, "fraction": 0.629}, "binding": {"pIC50": 7.8, "LE": 0.289, "potency_term": 0.934, "efficiency_cap": 0.963}, "selectivity": {"fold": 5.5, "selectivity_term": 0.37, "target_engagement": 0.934}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.59, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.154, "cyp3a4-substrate-carbonmangels": 0.843, "ld50-zhu": 0.691, "herg": 0.05, "dili": 0.44}}, "novelty": {"max_tanimoto": 0.449, "novelty": 0.551}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.731817962921302, "aff_pf": -1.8012068271636963, "aff_hs": -1.0605705579121907, "repeats_pf": {"runs": 3, "values": [-1.7654, -1.8777, -1.7604], "mean": -1.8012, "spread": 0.1173}, "repeats_hs": {"runs": 3, "values": [-1.045, -1.0437, -1.093], "mean": -1.0606, "spread": 0.0492}, "at": 1788133701}, "tier": 2, "alerts": [], "total_sd": 0.794, "total_ci95": [56.408, 58.888], "relegate_reason": [{"code": "solubility", "arg": "-7.10", "limit": -7.0, "text": "극단적 불용성 (logS -7.10 < -7.0)"}], "submitted_at": 1788132543, "scored_at": 1788133701, "rank": null}, {"candidate_id": "ODC-017A8D", "res_at": 1787935967, "skeleton": "OTJNAPQYOSFZKF", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 57.571, "axes": {"activity": 26.66, "binding": 9.96, "selectivity": 5.83, "admet": 5.08, "novelty": 6.64, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 6.2, "fraction": 0.889}, "binding": {"pIC50": 6.75, "LE": 0.257, "potency_term": 0.582, "efficiency_cap": 0.856}, "selectivity": {"fold": 10.0, "selectivity_term": 0.501, "target_engagement": 0.582}, "admet": {"geometric_mean": 0.381, "per_endpoint": {"solubility-aqsoldb": 0.425, "caco2-wang": 0.368, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.656, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.813, "herg": 0.05, "dili": 0.294}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.32}}, "run": {"gpu": "3", "pAct_q10": 6.199773908368756, "aff_pf": -0.7452141841252645, "aff_hs": 0.2563849985599518, "repeats_pf": {"runs": 3, "values": [-0.7248, -0.6907, -0.8202], "mean": -0.7452, "spread": 0.1294}, "repeats_hs": {"runs": 3, "values": [0.1832, 0.1115, 0.4744], "mean": 0.2564, "spread": 0.3629}, "at": 1787935967}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929145, "scored_at": 1787935967, "rank": null}, {"candidate_id": "ODC-57F9E5", "res_at": 1788193833, "skeleton": "NXXRWGZTEQZRCO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 57.318, "axes": {"activity": 17.91, "binding": 15.02, "selectivity": 12.72, "admet": 4.15, "novelty": 3.76, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 5.675, "fraction": 0.597}, "binding": {"pIC50": 7.5, "LE": 0.27, "potency_term": 0.833, "efficiency_cap": 0.901}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.833}, "admet": {"geometric_mean": 0.368, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.657, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.599, "cyp3a4-substrate-carbonmangels": 0.961, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.389}}, "novelty": {"max_tanimoto": 0.5, "novelty": 0.5}, "synthesis": {"sa_score": 2.42}}, "run": {"gpu": "0", "pAct_q10": 5.674677844759491, "aff_pf": -1.5002038876215618, "aff_hs": 0.026089300711949665, "repeats_pf": {"runs": 3, "values": [-1.5543, -1.4985, -1.4477], "mean": -1.5002, "spread": 0.1066}, "repeats_hs": {"runs": 3, "values": [0.0257, -0.0084, 0.061], "mean": 0.0261, "spread": 0.0693}, "at": 1788193833}, "tier": 2, "alerts": [], "total_sd": 0.76, "total_ci95": [55.783, 58.828], "relegate_reason": [{"code": "solubility", "arg": "-7.21", "limit": -7.0, "text": "극단적 불용성 (logS -7.21 < -7.0)"}], "submitted_at": 1788190918, "scored_at": 1788193833, "rank": null}, {"candidate_id": "ODC-E4C10D", "res_at": 1786834960, "skeleton": "UBNWQZOEIDKZKE", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 57.132, "axes": {"activity": 12.76, "binding": 17.25, "selectivity": 13.16, "admet": 6.8, "novelty": 3.04, "synthesis": 4.11}, "detail": {"activity": {"pAct_q10": 5.366, "fraction": 0.425}, "binding": {"pIC50": 7.59, "LE": 0.473, "potency_term": 0.863, "efficiency_cap": 1.0}, "selectivity": {"fold": 33.6, "selectivity_term": 0.763, "target_engagement": 0.863}, "admet": {"geometric_mean": 0.525, "per_endpoint": {"solubility-aqsoldb": 0.444, "caco2-wang": 0.806, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.897, "cyp2c9-veith": 0.296, "cyp3a4-substrate-carbonmangels": 0.527, "ld50-zhu": 0.554, "herg": 0.232, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.647, "novelty": 0.353}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "1", "pAct_q10": 5.365869063827469, "aff_pf": -1.5878686904907227, "aff_hs": -0.061947599053382874, "repeats_pf": {"runs": 3, "values": [-1.5954, -1.5465, -1.6217], "mean": -1.5879, "spread": 0.0752}, "repeats_hs": {"runs": 3, "values": [-0.1868, -0.0029, 0.0039], "mean": -0.0619, "spread": 0.1906}, "at": 1786834960}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.846", "limit": 0.7, "text": "변이원성(Ames) 0.846 > 0.70"}], "submitted_at": 1786800254, "scored_at": 1786834960, "alerts": [], "rank": null}, {"candidate_id": "ODC-6798CB", "res_at": 1787284975, "skeleton": "FJRLHQFVEFAWNF", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 56.968, "axes": {"activity": 29.44, "binding": 9.45, "selectivity": 0.92, "admet": 6.54, "novelty": 6.93, "synthesis": 3.69}, "detail": {"activity": {"pAct_q10": 6.366, "fraction": 0.981}, "binding": {"pIC50": 6.6, "LE": 0.266, "potency_term": 0.533, "efficiency_cap": 0.886}, "selectivity": {"fold": 1.5, "selectivity_term": 0.086, "target_engagement": 0.533}, "admet": {"geometric_mean": 0.445, "per_endpoint": {"solubility-aqsoldb": 0.424, "caco2-wang": 0.425, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.923, "cyp2c9-veith": 0.191, "cyp3a4-substrate-carbonmangels": 0.191, "ld50-zhu": 0.62, "herg": 0.17, "dili": 0.073}}, "novelty": {"max_tanimoto": 0.293, "novelty": 0.707}, "synthesis": {"sa_score": 3.37}}, "run": {"gpu": "3", "pAct_q10": 6.366149670804295, "aff_pf": -0.5987667838732401, "aff_hs": -0.42594300707181293, "repeats_pf": {"runs": 3, "values": [-0.6706, -0.6226, -0.5031], "mean": -0.5988, "spread": 0.1676}, "repeats_hs": {"runs": 3, "values": [-0.5787, -0.4333, -0.2659], "mean": -0.4259, "spread": 0.3128}, "at": 1787284975}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787281022, "scored_at": 1787284975, "rank": null}, {"candidate_id": "ODC-570A34", "res_at": 1787167454, "skeleton": "TZOZAAGQWMGTIB", "hf_user": "araai", "display_name": "araai", "model_name": "Ara mission loop · Codex/Jenny R11", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Fc1cc(N··········nc2n1", "total": 56.646, "axes": {"activity": 21.35, "binding": 16.09, "selectivity": 6.17, "admet": 4.96, "novelty": 4.85, "synthesis": 3.23}, "detail": {"activity": {"pAct_q10": 5.881, "fraction": 0.712}, "binding": {"pIC50": 7.41, "LE": 0.391, "potency_term": 0.804, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.383, "target_engagement": 0.804}, "admet": {"geometric_mean": 0.411, "per_endpoint": {"solubility-aqsoldb": 0.124, "caco2-wang": 0.632, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.649, "ld50-zhu": 0.61, "herg": 0.2, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "3", "pAct_q10": 5.8807222495874365, "aff_pf": -1.4132719039916992, "aff_hs": -0.6467751065889994, "repeats_pf": {"runs": 3, "values": [-1.4203, -1.4399, -1.3796], "mean": -1.4133, "spread": 0.0602}, "repeats_hs": {"runs": 3, "values": [-0.6896, -0.6426, -0.6081], "mean": -0.6468, "spread": 0.0815}, "at": 1787167454}, "tier": 2, "alerts": ["알파할로_헤테로원자", "이할로메틸_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자, 이할로메틸_헤테로원자"], "submitted_at": 1787159736, "scored_at": 1787167454, "rank": null}, {"candidate_id": "ODC-6DEC2A", "res_at": 1788307986, "skeleton": "NVGUUFVEBYMQRP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 56.508, "axes": {"activity": 19.73, "binding": 14.2, "selectivity": 11.07, "admet": 3.97, "novelty": 4.03, "synthesis": 3.51}, "detail": {"activity": {"pAct_q10": 5.784, "fraction": 0.658}, "binding": {"pIC50": 7.44, "LE": 0.261, "potency_term": 0.814, "efficiency_cap": 0.872}, "selectivity": {"fold": 22.8, "selectivity_term": 0.679, "target_engagement": 0.814}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 0.946, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.608, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.765, "herg": 0.05, "dili": 0.456}}, "novelty": {"max_tanimoto": 0.432, "novelty": 0.568}, "synthesis": {"sa_score": 2.54}}, "run": {"gpu": "3", "pAct_q10": 5.784071665041873, "aff_pf": -1.4434051911036174, "aff_hs": -0.08476616938908894, "repeats_pf": {"runs": 3, "values": [-1.4539, -1.4245, -1.4518], "mean": -1.4434, "spread": 0.0295}, "repeats_hs": {"runs": 3, "values": [-0.1767, 0.0019, -0.0794], "mean": -0.0848, "spread": 0.1786}, "at": 1788307986}, "tier": 2, "alerts": [], "total_sd": 0.403, "total_ci95": [55.765, 57.257], "relegate_reason": [{"code": "solubility", "arg": "-7.25", "limit": -7.0, "text": "극단적 불용성 (logS -7.25 < -7.0)"}], "submitted_at": 1788276487, "scored_at": 1788307986, "rank": null}, {"candidate_id": "ODC-C66E12", "res_at": 1787458299, "skeleton": "MPVKTGZAVRQODQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········N)CC1", "total": 56.488, "axes": {"activity": 29.92, "binding": 9.71, "selectivity": 1.78, "admet": 3.97, "novelty": 7.31, "synthesis": 3.8}, "detail": {"activity": {"pAct_q10": 6.395, "fraction": 0.997}, "binding": {"pIC50": 6.75, "LE": 0.25, "potency_term": 0.583, "efficiency_cap": 0.833}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.583}, "admet": {"geometric_mean": 0.265, "per_endpoint": {"solubility-aqsoldb": 0.142, "caco2-wang": 0.449, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.799, "herg": 0.052, "dili": 0.132}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.395057153087849, "aff_pf": -0.7493221958478292, "aff_hs": -0.44425596793492633, "repeats_pf": {"runs": 3, "values": [-0.7123, -0.7746, -0.7611], "mean": -0.7493, "spread": 0.0623}, "repeats_hs": {"runs": 3, "values": [-0.4369, -0.4618, -0.4341], "mean": -0.4443, "spread": 0.0277}, "at": 1787458299}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787457877, "scored_at": 1787458299, "rank": null}, {"candidate_id": "ODC-9D4828", "res_at": 1787945144, "skeleton": "SRZPSHISEIEMHA", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········O)CC1", "total": 56.243, "axes": {"activity": 28.11, "binding": 7.02, "selectivity": 4.84, "admet": 5.86, "novelty": 6.66, "synthesis": 3.76}, "detail": {"activity": {"pAct_q10": 6.287, "fraction": 0.937}, "binding": {"pIC50": 6.28, "LE": 0.246, "potency_term": 0.428, "efficiency_cap": 0.82}, "selectivity": {"fold": 13.5, "selectivity_term": 0.565, "target_engagement": 0.428}, "admet": {"geometric_mean": 0.417, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.365, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.271, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.724, "herg": 0.104, "dili": 0.143}}, "novelty": {"max_tanimoto": 0.289, "novelty": 0.711}, "synthesis": {"sa_score": 3.19}}, "run": {"gpu": "0", "pAct_q10": 6.286817523356637, "aff_pf": -0.28437339266141254, "aff_hs": 0.8450134595235189, "repeats_pf": {"runs": 3, "values": [-0.4603, -0.246, -0.1468], "mean": -0.2844, "spread": 0.3135}, "repeats_hs": {"runs": 3, "values": [0.8262, 0.9246, 0.7843], "mean": 0.845, "spread": 0.1404}, "at": 1787945144}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929210, "scored_at": 1787945144, "rank": null}, {"candidate_id": "ODC-412138", "res_at": 1787937818, "skeleton": "ZMYHOFAKLSKLRI", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········O)CC1", "total": 55.872, "axes": {"activity": 25.66, "binding": 8.52, "selectivity": 6.21, "admet": 5.7, "novelty": 6.48, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 6.14, "fraction": 0.855}, "binding": {"pIC50": 6.54, "LE": 0.249, "potency_term": 0.513, "efficiency_cap": 0.83}, "selectivity": {"fold": 16.2, "selectivity_term": 0.605, "target_engagement": 0.513}, "admet": {"geometric_mean": 0.444, "per_endpoint": {"solubility-aqsoldb": 0.371, "caco2-wang": 0.422, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.984, "cyp2c9-veith": 0.277, "cyp3a4-substrate-carbonmangels": 0.138, "ld50-zhu": 0.921, "herg": 0.127, "dili": 0.052}}, "novelty": {"max_tanimoto": 0.242, "novelty": 0.758}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "3", "pAct_q10": 6.139769317896817, "aff_pf": -0.5402707556883494, "aff_hs": 0.670067310333252, "repeats_pf": {"runs": 3, "values": [-0.5496, -0.5775, -0.4938], "mean": -0.5403, "spread": 0.0837}, "repeats_hs": {"runs": 3, "values": [0.7213, 0.724, 0.5649], "mean": 0.6701, "spread": 0.1591}, "at": 1787937818}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929178, "scored_at": 1787937818, "rank": null}, {"candidate_id": "ODC-23D5DF", "res_at": 1787937180, "skeleton": "XHVDCNQFQKYWQK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 55.512, "axes": {"activity": 29.1, "binding": 7.32, "selectivity": 2.5, "admet": 5.48, "novelty": 7.24, "synthesis": 3.88}, "detail": {"activity": {"pAct_q10": 6.346, "fraction": 0.97}, "binding": {"pIC50": 6.36, "LE": 0.242, "potency_term": 0.454, "efficiency_cap": 0.807}, "selectivity": {"fold": 3.5, "selectivity_term": 0.275, "target_engagement": 0.454}, "admet": {"geometric_mean": 0.376, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.37, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.094, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.771, "herg": 0.05, "dili": 0.174}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.2}}, "run": {"gpu": "3", "pAct_q10": 6.345729628641981, "aff_pf": -0.3614479998747508, "aff_hs": 0.1884750003616015, "repeats_pf": {"runs": 3, "values": [-0.2363, -0.5166, -0.3314], "mean": -0.3614, "spread": 0.2804}, "repeats_hs": {"runs": 3, "values": [0.0627, 0.318, 0.1847], "mean": 0.1885, "spread": 0.2553}, "at": 1787937180}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929172, "scored_at": 1787937180, "rank": null}, {"candidate_id": "ODC-DCC989", "res_at": 1786915291, "skeleton": "VWMZDYXZYVLNTI", "hf_user": "ipsych", "display_name": "TPY-naphthalen2yl", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 54.705, "axes": {"activity": 11.7, "binding": 17.3, "selectivity": 12.67, "admet": 5.15, "novelty": 3.56, "synthesis": 4.32}, "detail": {"activity": {"pAct_q10": 5.302, "fraction": 0.39}, "binding": {"pIC50": 7.59, "LE": 0.452, "potency_term": 0.865, "efficiency_cap": 1.0}, "selectivity": {"fold": 29.2, "selectivity_term": 0.733, "target_engagement": 0.865}, "admet": {"geometric_mean": 0.397, "per_endpoint": {"solubility-aqsoldb": 0.174, "caco2-wang": 0.745, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.243, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.94, "ld50-zhu": 0.333, "herg": 0.428, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.588, "novelty": 0.412}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.302223041326117, "aff_pf": -1.5945163170496623, "aff_hs": -0.12938068807125092, "repeats_pf": {"runs": 3, "values": [-1.6063, -1.5664, -1.6108], "mean": -1.5945, "spread": 0.0444}, "repeats_hs": {"runs": 3, "values": [-0.0052, -0.1074, -0.2756], "mean": -0.1294, "spread": 0.2704}, "at": 1786915291}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.770", "limit": 0.7, "text": "변이원성(Ames) 0.770 > 0.70"}], "submitted_at": 1786915096, "scored_at": 1786915291, "alerts": [], "rank": null}, {"candidate_id": "ODC-2D09A8", "res_at": 1787245427, "skeleton": "RGHMFABLHPBZAL", "hf_user": "1Dmeds", "display_name": "ODC26-R15-16", "model_name": "Claude Sonnet 5 + Codex red-team (council rounds 28-30)", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "Cc1ccc(··········cc1Br", "total": 54.653, "axes": {"activity": 21.09, "binding": 14.72, "selectivity": 6.74, "admet": 4.43, "novelty": 4.61, "synthesis": 3.07}, "detail": {"activity": {"pAct_q10": 5.865, "fraction": 0.703}, "binding": {"pIC50": 7.21, "LE": 0.395, "potency_term": 0.736, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.2, "selectivity_term": 0.458, "target_engagement": 0.736}, "admet": {"geometric_mean": 0.401, "per_endpoint": {"solubility-aqsoldb": 0.18, "caco2-wang": 0.619, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.269, "cyp3a4-substrate-carbonmangels": 0.051, "ld50-zhu": 0.425, "herg": 0.73, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 3.08}}, "run": {"gpu": "3", "pAct_q10": 5.865234728795836, "aff_pf": -1.2074215014775593, "aff_hs": -0.29129310448964435, "repeats_pf": {"runs": 3, "values": [-1.2228, -1.1813, -1.2182], "mean": -1.2074, "spread": 0.0415}, "repeats_hs": {"runs": 3, "values": [-0.3631, -0.2645, -0.2462], "mean": -0.2913, "spread": 0.1169}, "at": 1787245427}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.733", "limit": 0.7, "text": "변이원성(Ames) 0.733 > 0.70"}], "submitted_at": 1787238590, "scored_at": 1787245427, "alerts": [], "rank": null}, {"candidate_id": "ODC-5BFCAA", "res_at": 1787285163, "skeleton": "GBQBQBIHCSZWNL", "hf_user": "Flansma", "display_name": "LEE Seungeon", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········2)CC1", "total": 53.638, "axes": {"activity": 30.0, "binding": 5.98, "selectivity": 0.0, "admet": 6.65, "novelty": 7.2, "synthesis": 3.81}, "detail": {"activity": {"pAct_q10": 6.479, "fraction": 1.0}, "binding": {"pIC50": 6.1, "LE": 0.246, "potency_term": 0.365, "efficiency_cap": 0.819}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.365}, "admet": {"geometric_mean": 0.443, "per_endpoint": {"solubility-aqsoldb": 0.376, "caco2-wang": 0.433, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.892, "cyp2c9-veith": 0.27, "cyp3a4-substrate-carbonmangels": 0.183, "ld50-zhu": 0.611, "herg": 0.138, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.28, "novelty": 0.72}, "synthesis": {"sa_score": 3.33}}, "run": {"gpu": "3", "pAct_q10": 6.47940557634943, "aff_pf": -0.09534626205762227, "aff_hs": -0.3090248455603917, "repeats_pf": {"runs": 3, "values": [-0.1291, -0.1244, -0.0326], "mean": -0.0953, "spread": 0.0965}, "repeats_hs": {"runs": 3, "values": [-0.5589, 0.2258, -0.5939], "mean": -0.309, "spread": 0.8197}, "at": 1787285163}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787281029, "scored_at": 1787285163, "rank": null}, {"candidate_id": "ODC-FF0FC8", "res_at": 1787499790, "skeleton": "QJECXDVMEGYVLM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 53.116, "axes": {"activity": 30.0, "binding": 6.58, "selectivity": 1.44, "admet": 3.78, "novelty": 7.35, "synthesis": 3.96}, "detail": {"activity": {"pAct_q10": 6.489, "fraction": 1.0}, "binding": {"pIC50": 6.28, "LE": 0.232, "potency_term": 0.425, "efficiency_cap": 0.774}, "selectivity": {"fold": 2.2, "selectivity_term": 0.17, "target_engagement": 0.425}, "admet": {"geometric_mean": 0.252, "per_endpoint": {"solubility-aqsoldb": 0.123, "caco2-wang": 0.394, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.689, "herg": 0.053, "dili": 0.144}}, "novelty": {"max_tanimoto": 0.265, "novelty": 0.735}, "synthesis": {"sa_score": 3.23}}, "run": {"gpu": "3", "pAct_q10": 6.489163096500743, "aff_pf": -0.27500995993614197, "aff_hs": 0.06431066989898682, "repeats_pf": {"runs": 3, "values": [-0.6484, -0.0401, -0.1365], "mean": -0.275, "spread": 0.6083}, "repeats_hs": {"runs": 3, "values": [0.1054, 0.0326, 0.0548], "mean": 0.0643, "spread": 0.0728}, "at": 1787499790}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787492076, "scored_at": 1787499790, "rank": null}, {"candidate_id": "ODC-BA1587", "res_at": 1787581463, "skeleton": "KNNJGXITCSOUCE", "hf_user": "Ku-ku", "display_name": "KK-M-0824-4G", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 52.287, "axes": {"activity": 17.5, "binding": 16.25, "selectivity": 6.73, "admet": 4.37, "novelty": 4.57, "synthesis": 2.88}, "detail": {"activity": {"pAct_q10": 5.65, "fraction": 0.583}, "binding": {"pIC50": 7.44, "LE": 0.408, "potency_term": 0.813, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.7, "selectivity_term": 0.414, "target_engagement": 0.813}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.63, "cyp2c9-veith": 0.256, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.649837984494155, "aff_pf": -1.4375100135803223, "aff_hs": -0.6097731391588846, "repeats_pf": {"runs": 3, "values": [-1.4386, -1.5148, -1.3591], "mean": -1.4375, "spread": 0.1556}, "repeats_hs": {"runs": 3, "values": [-0.6797, -0.5462, -0.6034], "mean": -0.6098, "spread": 0.1335}, "at": 1787581463}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787578617, "scored_at": 1787581463, "rank": null}, {"candidate_id": "ODC-075DD4", "res_at": 1787458493, "skeleton": "MCFGJJILKSCTSI", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 52.191, "axes": {"activity": 30.0, "binding": 7.25, "selectivity": 0.03, "admet": 3.62, "novelty": 7.5, "synthesis": 3.79}, "detail": {"activity": {"pAct_q10": 6.578, "fraction": 1.0}, "binding": {"pIC50": 6.38, "LE": 0.236, "potency_term": 0.46, "efficiency_cap": 0.788}, "selectivity": {"fold": 1.0, "selectivity_term": 0.003, "target_engagement": 0.46}, "admet": {"geometric_mean": 0.242, "per_endpoint": {"solubility-aqsoldb": 0.068, "caco2-wang": 0.48, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.739, "herg": 0.065, "dili": 0.117}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.35}}, "run": {"gpu": "3", "pAct_q10": 6.577886547755147, "aff_pf": -0.3811001380284627, "aff_hs": -0.3755044937133789, "repeats_pf": {"runs": 3, "values": [-0.8608, 0.434, -0.7165], "mean": -0.3811, "spread": 1.2948}, "repeats_hs": {"runs": 3, "values": [-0.4304, -0.263, -0.4331], "mean": -0.3755, "spread": 0.1701}, "at": 1787458493}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787457883, "scored_at": 1787458493, "rank": null}, {"candidate_id": "ODC-089F75", "res_at": 1787579359, "skeleton": "KNNJGXITCSOUCE", "hf_user": "Ku-ku", "display_name": "KK-M-0824-44", "model_name": "Claude-Opus", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 51.868, "axes": {"activity": 17.5, "binding": 16.3, "selectivity": 6.22, "admet": 4.38, "novelty": 4.58, "synthesis": 2.89}, "detail": {"activity": {"pAct_q10": 5.65, "fraction": 0.583}, "binding": {"pIC50": 7.45, "LE": 0.408, "potency_term": 0.815, "efficiency_cap": 1.0}, "selectivity": {"fold": 5.8, "selectivity_term": 0.381, "target_engagement": 0.815}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.308, "caco2-wang": 0.64, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.63, "cyp2c9-veith": 0.256, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.512, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 3.52}}, "run": {"gpu": "3", "pAct_q10": 5.649837984494155, "aff_pf": -1.445318380991618, "aff_hs": -0.6827110846837362, "repeats_pf": {"runs": 3, "values": [-1.4402, -1.3439, -1.5519], "mean": -1.4453, "spread": 0.208}, "repeats_hs": {"runs": 3, "values": [-0.6094, -0.7476, -0.6911], "mean": -0.6827, "spread": 0.1382}, "at": 1787579359}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1787578573, "scored_at": 1787579359, "rank": null}, {"candidate_id": "ODC-0C8911", "res_at": 1787458104, "skeleton": "GLRPZFCLXPRHLD", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 51.812, "axes": {"activity": 28.06, "binding": 7.56, "selectivity": 1.9, "admet": 3.59, "novelty": 7.06, "synthesis": 3.63}, "detail": {"activity": {"pAct_q10": 6.284, "fraction": 0.935}, "binding": {"pIC50": 6.43, "LE": 0.238, "potency_term": 0.476, "efficiency_cap": 0.793}, "selectivity": {"fold": 2.5, "selectivity_term": 0.2, "target_engagement": 0.476}, "admet": {"geometric_mean": 0.256, "per_endpoint": {"solubility-aqsoldb": 0.116, "caco2-wang": 0.467, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.74, "herg": 0.05, "dili": 0.135}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 6.283864713557796, "aff_pf": -0.4290391107400258, "aff_hs": -0.029631510376930237, "repeats_pf": {"runs": 3, "values": [-0.4111, -0.4437, -0.4323], "mean": -0.429, "spread": 0.0326}, "repeats_hs": {"runs": 3, "values": [-0.0663, -0.093, 0.0704], "mean": -0.0296, "spread": 0.1634}, "at": 1787458104}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787457869, "scored_at": 1787458104, "rank": null}, {"candidate_id": "ODC-E06AA4", "res_at": 1787442283, "skeleton": "VIVRIXQNAHKWIS", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········2)CC1", "total": 51.199, "axes": {"activity": 29.04, "binding": 6.78, "selectivity": 0.67, "admet": 3.73, "novelty": 7.15, "synthesis": 3.84}, "detail": {"activity": {"pAct_q10": 6.342, "fraction": 0.968}, "binding": {"pIC50": 6.28, "LE": 0.239, "potency_term": 0.426, "efficiency_cap": 0.796}, "selectivity": {"fold": 1.4, "selectivity_term": 0.079, "target_engagement": 0.426}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.119, "caco2-wang": 0.631, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.674, "herg": 0.05, "dili": 0.085}}, "novelty": {"max_tanimoto": 0.262, "novelty": 0.738}, "synthesis": {"sa_score": 3.22}}, "run": {"gpu": "3", "pAct_q10": 6.342323552315059, "aff_pf": -0.2765410244464874, "aff_hs": -0.11806251108646393, "repeats_pf": {"runs": 3, "values": [-0.3429, -0.2192, -0.2675], "mean": -0.2765, "spread": 0.1238}, "repeats_hs": {"runs": 3, "values": [-0.0939, -0.128, -0.1323], "mean": -0.1181, "spread": 0.0384}, "at": 1787442283}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787439370, "scored_at": 1787442283, "rank": null}, {"candidate_id": "ODC-3ED8E1", "res_at": 1788309757, "skeleton": "UAASGFRLXODPQE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 50.352, "axes": {"activity": 17.4, "binding": 12.36, "selectivity": 11.25, "admet": 2.89, "novelty": 3.51, "synthesis": 2.96}, "detail": {"activity": {"pAct_q10": 5.644, "fraction": 0.58}, "binding": {"pIC50": 7.11, "LE": 0.263, "potency_term": 0.704, "efficiency_cap": 0.878}, "selectivity": {"fold": 39.6, "selectivity_term": 0.799, "target_engagement": 0.704}, "admet": {"geometric_mean": 0.311, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.634, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.994, "ld50-zhu": 0.692, "herg": 0.05, "dili": 0.15}}, "novelty": {"max_tanimoto": 0.432, "novelty": 0.568}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 5.643760046159009, "aff_pf": -1.1117794513702393, "aff_hs": 0.48580970366795856, "repeats_pf": {"runs": 3, "values": [-1.2107, -1.0351, -1.0896], "mean": -1.1118, "spread": 0.1756}, "repeats_hs": {"runs": 3, "values": [0.4999, 0.5228, 0.4347], "mean": 0.4858, "spread": 0.0881}, "at": 1788309757}, "tier": 2, "alerts": [], "total_sd": 1.048, "total_ci95": [48.41, 52.085], "relegate_reason": [{"code": "solubility", "arg": "-7.01", "limit": -7.0, "text": "극단적 불용성 (logS -7.01 < -7.0)"}], "submitted_at": 1788276901, "scored_at": 1788309757, "rank": null}, {"candidate_id": "ODC-A3DA67", "res_at": 1787413879, "skeleton": "CCXLNJBLDCEDOC", "hf_user": "takutoyo", "display_name": "PfD14-13", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 49.984, "axes": {"activity": 10.87, "binding": 15.87, "selectivity": 7.53, "admet": 8.16, "novelty": 5.02, "synthesis": 2.53}, "detail": {"activity": {"pAct_q10": 5.252, "fraction": 0.362}, "binding": {"pIC50": 7.38, "LE": 0.44, "potency_term": 0.793, "efficiency_cap": 1.0}, "selectivity": {"fold": 8.9, "selectivity_term": 0.474, "target_engagement": 0.793}, "admet": {"geometric_mean": 0.686, "per_endpoint": {"solubility-aqsoldb": 0.551, "caco2-wang": 0.702, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.669, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.571, "herg": 0.814, "dili": 0.131}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 3.76}}, "run": {"gpu": "3", "pAct_q10": 5.252494596116633, "aff_pf": -1.3803539276123047, "aff_hs": -0.4317927559216817, "repeats_pf": {"runs": 3, "values": [-1.3511, -1.3629, -1.4271], "mean": -1.3804, "spread": 0.0759}, "repeats_hs": {"runs": 3, "values": [-0.4212, -0.4624, -0.4118], "mean": -0.4318, "spread": 0.0507}, "at": 1787413879}, "tier": 2, "alerts": ["이례원소_Se"], "total_sd": null, "total_ci95": null, "relegate_reason": [{"code": "ames", "arg": "0.715", "limit": 0.7, "text": "변이원성(Ames) 0.715 > 0.70"}], "submitted_at": 1787408098, "scored_at": 1787413879, "rank": null}, {"candidate_id": "ODC-5C523B", "res_at": 1788422390, "skeleton": "OIWJGZINCJQYAI", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 48.999, "axes": {"activity": 19.79, "binding": 15.4, "selectivity": 2.08, "admet": 3.69, "novelty": 4.19, "synthesis": 3.85}, "detail": {"activity": {"pAct_q10": 5.788, "fraction": 0.66}, "binding": {"pIC50": 7.55, "LE": 0.272, "potency_term": 0.849, "efficiency_cap": 0.907}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.849}, "admet": {"geometric_mean": 0.319, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.607, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.251, "cyp3a4-substrate-carbonmangels": 0.572, "ld50-zhu": 0.624, "herg": 0.05, "dili": 0.283}}, "novelty": {"max_tanimoto": 0.456, "novelty": 0.544}, "synthesis": {"sa_score": 2.49}}, "run": {"gpu": "0", "pAct_q10": 5.787513025201973, "aff_pf": -1.5468907356262207, "aff_hs": -1.3021218379338582, "repeats_pf": {"runs": 3, "values": [-1.5286, -1.6444, -1.4677], "mean": -1.5469, "spread": 0.1767}, "repeats_hs": {"runs": 3, "values": [-1.2694, -1.3439, -1.2931], "mean": -1.3021, "spread": 0.0745}, "at": 1788422390}, "tier": 2, "alerts": [], "total_sd": 1.011, "total_ci95": [47.228, 51.34], "relegate_reason": [{"code": "solubility", "arg": "-7.07", "limit": -7.0, "text": "극단적 불용성 (logS -7.07 < -7.0)"}], "submitted_at": 1788361241, "scored_at": 1788422390, "rank": null}, {"candidate_id": "ODC-F4D039", "res_at": 1787441872, "skeleton": "CQDJXSSMOJWPMA", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········3)CC1", "total": 48.913, "axes": {"activity": 29.86, "binding": 3.13, "selectivity": 0.32, "admet": 4.23, "novelty": 7.47, "synthesis": 3.91}, "detail": {"activity": {"pAct_q10": 6.392, "fraction": 0.995}, "binding": {"pIC50": 5.65, "LE": 0.215, "potency_term": 0.218, "efficiency_cap": 0.717}, "selectivity": {"fold": 1.4, "selectivity_term": 0.074, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.283, "per_endpoint": {"solubility-aqsoldb": 0.149, "caco2-wang": 0.636, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.07, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.8, "herg": 0.064, "dili": 0.093}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 3.25}}, "run": {"gpu": "3", "pAct_q10": 6.391705031422671, "aff_pf": 0.3460283577442169, "aff_hs": 0.4938715696334839, "repeats_pf": {"runs": 3, "values": [0.3673, 0.5152, 0.1556], "mean": 0.346, "spread": 0.3596}, "repeats_hs": {"runs": 3, "values": [0.3302, 0.7034, 0.4481], "mean": 0.4939, "spread": 0.3733}, "at": 1787441872}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787439355, "scored_at": 1787441872, "rank": null}, {"candidate_id": "ODC-A24587", "res_at": 1787944242, "skeleton": "LHENMZJTTSUBNK", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········)nn12", "total": 48.767, "axes": {"activity": 25.11, "binding": 8.8, "selectivity": 0.0, "admet": 5.27, "novelty": 6.32, "synthesis": 3.27}, "detail": {"activity": {"pAct_q10": 6.107, "fraction": 0.837}, "binding": {"pIC50": 6.58, "LE": 0.25, "potency_term": 0.527, "efficiency_cap": 0.835}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.527}, "admet": {"geometric_mean": 0.42, "per_endpoint": {"solubility-aqsoldb": 0.316, "caco2-wang": 0.343, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.545, "cyp2c9-veith": 0.38, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.901, "herg": 0.089, "dili": 0.252}}, "novelty": {"max_tanimoto": 0.245, "novelty": 0.755}, "synthesis": {"sa_score": 3.27}}, "run": {"gpu": "0", "pAct_q10": 6.10654728918869, "aff_pf": -0.581078847249349, "aff_hs": -0.6046058734258016, "repeats_pf": {"runs": 3, "values": [-0.5323, -0.6774, -0.5336], "mean": -0.5811, "spread": 0.1451}, "repeats_hs": {"runs": 3, "values": [-0.6132, -0.5633, -0.6373], "mean": -0.6046, "spread": 0.074}, "at": 1787944242}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929194, "scored_at": 1787944242, "rank": null}, {"candidate_id": "ODC-B4BAE6", "res_at": 1788306743, "skeleton": "UNMZHINSQSNNGK", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········2)cc1", "total": 48.298, "axes": {"activity": 19.04, "binding": 11.31, "selectivity": 8.09, "admet": 2.92, "novelty": 3.93, "synthesis": 3.0}, "detail": {"activity": {"pAct_q10": 5.743, "fraction": 0.635}, "binding": {"pIC50": 7.01, "LE": 0.253, "potency_term": 0.671, "efficiency_cap": 0.843}, "selectivity": {"fold": 16.1, "selectivity_term": 0.603, "target_engagement": 0.671}, "admet": {"geometric_mean": 0.307, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.625, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.114, "cyp3a4-substrate-carbonmangels": 0.877, "ld50-zhu": 0.684, "herg": 0.05, "dili": 0.177}}, "novelty": {"max_tanimoto": 0.38, "novelty": 0.62}, "synthesis": {"sa_score": 2.69}}, "run": {"gpu": "3", "pAct_q10": 5.7425850299953325, "aff_pf": -1.0124430060386658, "aff_hs": 0.19409825404485068, "repeats_pf": {"runs": 3, "values": [-0.9311, -0.9792, -1.127], "mean": -1.0124, "spread": 0.1959}, "repeats_hs": {"runs": 3, "values": [0.107, 0.1429, 0.3323], "mean": 0.1941, "spread": 0.2253}, "at": 1788306743}, "tier": 2, "alerts": [], "total_sd": 0.955, "total_ci95": [46.733, 50.494], "relegate_reason": [{"code": "solubility", "arg": "-7.01", "limit": -7.0, "text": "극단적 불용성 (logS -7.01 < -7.0)"}], "submitted_at": 1788276436, "scored_at": 1788306743, "rank": null}, {"candidate_id": "ODC-1B64D2", "res_at": 1788266927, "skeleton": "UGPVMEFSPODANT", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 47.748, "axes": {"activity": 18.28, "binding": 13.03, "selectivity": 5.79, "admet": 3.53, "novelty": 3.87, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.697, "fraction": 0.609}, "binding": {"pIC50": 7.29, "LE": 0.256, "potency_term": 0.763, "efficiency_cap": 0.854}, "selectivity": {"fold": 5.7, "selectivity_term": 0.379, "target_engagement": 0.763}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.685, "cyp3a4-substrate-carbonmangels": 0.893, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.276}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.5}}, "run": {"gpu": "3", "pAct_q10": 5.696803677310913, "aff_pf": -1.289429505666097, "aff_hs": -0.5312155683835348, "repeats_pf": {"runs": 3, "values": [-1.1105, -1.3182, -1.4395], "mean": -1.2894, "spread": 0.329}, "repeats_hs": {"runs": 3, "values": [-0.6894, -0.5957, -0.3086], "mean": -0.5312, "spread": 0.3808}, "at": 1788266927}, "tier": 2, "alerts": [], "total_sd": 1.982, "total_ci95": [44.277, 51.424], "relegate_reason": [{"code": "solubility", "arg": "-7.09", "limit": -7.0, "text": "극단적 불용성 (logS -7.09 < -7.0)"}], "submitted_at": 1788231035, "scored_at": 1788266927, "rank": null}, {"candidate_id": "ODC-499F36", "res_at": 1788263407, "skeleton": "LPYLFJILHYJBTJ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCOc1cc··········2)cc1", "total": 46.418, "axes": {"activity": 17.14, "binding": 13.16, "selectivity": 5.47, "admet": 3.54, "novelty": 3.84, "synthesis": 3.26}, "detail": {"activity": {"pAct_q10": 5.628, "fraction": 0.571}, "binding": {"pIC50": 7.31, "LE": 0.257, "potency_term": 0.769, "efficiency_cap": 0.856}, "selectivity": {"fold": 5.2, "selectivity_term": 0.356, "target_engagement": 0.769}, "admet": {"geometric_mean": 0.358, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.61, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.712, "herg": 0.05, "dili": 0.261}}, "novelty": {"max_tanimoto": 0.416, "novelty": 0.584}, "synthesis": {"sa_score": 2.53}}, "run": {"gpu": "0", "pAct_q10": 5.628443866579985, "aff_pf": -1.3070687055587769, "aff_hs": -0.5951645771662394, "repeats_pf": {"runs": 3, "values": [-1.3245, -1.2046, -1.3921], "mean": -1.3071, "spread": 0.1875}, "repeats_hs": {"runs": 3, "values": [0.0258, -1.0913, -0.72], "mean": -0.5952, "spread": 1.1171}, "at": 1788263407}, "tier": 2, "alerts": [], "total_sd": 2.344, "total_ci95": [42.603, 51.432], "relegate_reason": [{"code": "solubility", "arg": "-7.23", "limit": -7.0, "text": "극단적 불용성 (logS -7.23 < -7.0)"}], "submitted_at": 1788231045, "scored_at": 1788263407, "rank": null}, {"candidate_id": "ODC-8C9427", "res_at": 1787499387, "skeleton": "POCFXZOGWRCPRQ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········l)CC1", "total": 46.225, "axes": {"activity": 30.0, "binding": 0.81, "selectivity": 0.0, "admet": 4.08, "novelty": 7.24, "synthesis": 4.09}, "detail": {"activity": {"pAct_q10": 6.478, "fraction": 1.0}, "binding": {"pIC50": 5.18, "LE": 0.197, "potency_term": 0.061, "efficiency_cap": 0.658}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.061}, "admet": {"geometric_mean": 0.272, "per_endpoint": {"solubility-aqsoldb": 0.167, "caco2-wang": 0.438, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.066, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.571, "herg": 0.05, "dili": 0.232}}, "novelty": {"max_tanimoto": 0.276, "novelty": 0.724}, "synthesis": {"sa_score": 3.14}}, "run": {"gpu": "3", "pAct_q10": 6.478082611625814, "aff_pf": 0.815749724706014, "aff_hs": 0.6226429144541422, "repeats_pf": {"runs": 3, "values": [0.9428, 0.6844, 0.82], "mean": 0.8157, "spread": 0.2584}, "repeats_hs": {"runs": 3, "values": [0.5824, 0.5388, 0.7468], "mean": 0.6226, "spread": 0.208}, "at": 1787499387}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787492067, "scored_at": 1787499387, "rank": null}, {"candidate_id": "ODC-E92F8A", "res_at": 1787944689, "skeleton": "KPXCXZLXCXGSFJ", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC(C)CC··········O)CC1", "total": 46.129, "axes": {"activity": 26.98, "binding": 3.13, "selectivity": 1.09, "admet": 4.87, "novelty": 6.72, "synthesis": 3.34}, "detail": {"activity": {"pAct_q10": 6.219, "fraction": 0.899}, "binding": {"pIC50": 5.65, "LE": 0.215, "potency_term": 0.218, "efficiency_cap": 0.717}, "selectivity": {"fold": 3.2, "selectivity_term": 0.25, "target_engagement": 0.218}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.491, "caco2-wang": 0.263, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.084, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.535, "herg": 0.063, "dili": 0.182}}, "novelty": {"max_tanimoto": 0.253, "novelty": 0.747}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "0", "pAct_q10": 6.218874282065986, "aff_pf": 0.346023956934611, "aff_hs": 0.8454107840855917, "repeats_pf": {"runs": 3, "values": [0.4911, 0.3874, 0.1596], "mean": 0.346, "spread": 0.3315}, "repeats_hs": {"runs": 3, "values": [0.8364, 0.8988, 0.801], "mean": 0.8454, "spread": 0.0978}, "at": 1787944689}, "tier": 2, "alerts": ["아지리딘"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 아지리딘"], "submitted_at": 1787929199, "scored_at": 1787944689, "rank": null}, {"candidate_id": "ODC-DFD98A", "res_at": 1788265539, "skeleton": "JSDUPVWKKLIBES", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 45.752, "axes": {"activity": 21.59, "binding": 12.76, "selectivity": 0.0, "admet": 3.37, "novelty": 4.54, "synthesis": 3.49}, "detail": {"activity": {"pAct_q10": 5.896, "fraction": 0.72}, "binding": {"pIC50": 7.25, "LE": 0.255, "potency_term": 0.751, "efficiency_cap": 0.849}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.751}, "admet": {"geometric_mean": 0.312, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.487, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.182, "cyp3a4-substrate-carbonmangels": 0.768, "ld50-zhu": 0.694, "herg": 0.05, "dili": 0.26}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "3", "pAct_q10": 5.895555509884059, "aff_pf": -1.253789981206258, "aff_hs": -1.356420914332072, "repeats_pf": {"runs": 3, "values": [-1.322, -1.3932, -1.0462], "mean": -1.2538, "spread": 0.347}, "repeats_hs": {"runs": 3, "values": [-1.2017, -1.4346, -1.433], "mean": -1.3564, "spread": 0.2329}, "at": 1788265539}, "tier": 2, "alerts": [], "total_sd": 0.788, "total_ci95": [44.245, 47.71], "relegate_reason": [{"code": "solubility", "arg": "-7.31", "limit": -7.0, "text": "극단적 불용성 (logS -7.31 < -7.0)"}], "submitted_at": 1788223322, "scored_at": 1788265539, "rank": null}, {"candidate_id": "ODC-DF7C9F", "res_at": 1786828831, "skeleton": "PMYGAXHUSJUMPD", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 45.656, "axes": {"activity": 10.32, "binding": 14.41, "selectivity": 10.71, "admet": 4.47, "novelty": 2.15, "synthesis": 3.6}, "detail": {"activity": {"pAct_q10": 5.219, "fraction": 0.344}, "binding": {"pIC50": 7.16, "LE": 0.427, "potency_term": 0.72, "efficiency_cap": 1.0}, "selectivity": {"fold": 30.7, "selectivity_term": 0.744, "target_engagement": 0.72}, "admet": {"geometric_mean": 0.413, "per_endpoint": {"solubility-aqsoldb": 0.28, "caco2-wang": 0.733, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.249, "cyp2c9-veith": 0.355, "cyp3a4-substrate-carbonmangels": 0.672, "ld50-zhu": 0.263, "herg": 0.202, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.702, "novelty": 0.298}, "synthesis": {"sa_score": 2.35}}, "run": {"gpu": "3", "pAct_q10": 5.21934893436643, "aff_pf": -1.1610071261723836, "aff_hs": 0.3263528272509575, "repeats_pf": {"runs": 3, "values": [-1.1964, -1.1493, -1.1373], "mean": -1.161, "spread": 0.0591}, "repeats_hs": {"runs": 3, "values": [0.112, 0.5107, 0.3563], "mean": 0.3264, "spread": 0.3987}, "at": 1786828831}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.894", "limit": 0.7, "text": "변이원성(Ames) 0.894 > 0.70"}], "submitted_at": 1786792134, "scored_at": 1786828831, "alerts": [], "rank": null}, {"candidate_id": "ODC-6295D9", "res_at": 1788194249, "skeleton": "WOOCLHUOXYAXOL", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········F)cc1", "total": 45.622, "axes": {"activity": 19.38, "binding": 12.91, "selectivity": 3.08, "admet": 3.44, "novelty": 3.63, "synthesis": 3.18}, "detail": {"activity": {"pAct_q10": 5.763, "fraction": 0.646}, "binding": {"pIC50": 7.27, "LE": 0.256, "potency_term": 0.758, "efficiency_cap": 0.852}, "selectivity": {"fold": 2.5, "selectivity_term": 0.203, "target_engagement": 0.758}, "admet": {"geometric_mean": 0.355, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.673, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.664, "cyp3a4-substrate-carbonmangels": 0.863, "ld50-zhu": 0.683, "herg": 0.05, "dili": 0.234}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "0", "pAct_q10": 5.763061951687814, "aff_pf": -1.2734545071919758, "aff_hs": -0.86749800046285, "repeats_pf": {"runs": 3, "values": [-1.2485, -1.2152, -1.3567], "mean": -1.2735, "spread": 0.1415}, "repeats_hs": {"runs": 3, "values": [-0.9374, -0.8154, -0.8497], "mean": -0.8675, "spread": 0.1219}, "at": 1788194249}, "tier": 2, "alerts": [], "total_sd": 0.681, "total_ci95": [44.515, 46.987], "relegate_reason": [{"code": "solubility", "arg": "-7.36", "limit": -7.0, "text": "극단적 불용성 (logS -7.36 < -7.0)"}], "submitted_at": 1788190962, "scored_at": 1788194249, "rank": null}, {"candidate_id": "ODC-12EA21", "res_at": 1788305639, "skeleton": "GMAGKCAKLSXQRD", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 45.008, "axes": {"activity": 17.72, "binding": 13.56, "selectivity": 2.94, "admet": 3.37, "novelty": 4.02, "synthesis": 3.39}, "detail": {"activity": {"pAct_q10": 5.663, "fraction": 0.591}, "binding": {"pIC50": 7.31, "LE": 0.264, "potency_term": 0.772, "efficiency_cap": 0.879}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.772}, "admet": {"geometric_mean": 0.332, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.616, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.227, "cyp3a4-substrate-carbonmangels": 0.826, "ld50-zhu": 0.69, "herg": 0.05, "dili": 0.306}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "0", "pAct_q10": 5.663068862955816, "aff_pf": -1.3145742019017537, "aff_hs": -0.9337091247240702, "repeats_pf": {"runs": 3, "values": [-1.6045, -1.5844, -0.7548], "mean": -1.3146, "spread": 0.8497}, "repeats_hs": {"runs": 3, "values": [-0.9506, -0.9431, -0.9075], "mean": -0.9337, "spread": 0.0432}, "at": 1788305639}, "tier": 2, "alerts": [], "total_sd": 5.017, "total_ci95": [36.609, 52.051], "relegate_reason": [{"code": "solubility", "arg": "-7.10", "limit": -7.0, "text": "극단적 불용성 (logS -7.10 < -7.0)"}], "submitted_at": 1788276856, "scored_at": 1788305639, "rank": null}, {"candidate_id": "ODC-120695", "res_at": 1788309203, "skeleton": "GZLOGTQZKZIUMU", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCc··········2)cc1", "total": 44.532, "axes": {"activity": 20.35, "binding": 10.27, "selectivity": 2.78, "admet": 3.68, "novelty": 4.17, "synthesis": 3.29}, "detail": {"activity": {"pAct_q10": 5.821, "fraction": 0.678}, "binding": {"pIC50": 6.94, "LE": 0.238, "potency_term": 0.648, "efficiency_cap": 0.793}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.648}, "admet": {"geometric_mean": 0.361, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.638, "hia-hou": 1.0, "bioavailability-ma": 0.777, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.645, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.769, "herg": 0.05, "dili": 0.399}}, "novelty": {"max_tanimoto": 0.385, "novelty": 0.615}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.821071582672256, "aff_pf": -0.9429225126902262, "aff_hs": -0.5141868193944296, "repeats_pf": {"runs": 3, "values": [-0.8729, -0.9345, -1.0214], "mean": -0.9429, "spread": 0.1485}, "repeats_hs": {"runs": 3, "values": [-0.685, -0.6262, -0.2314], "mean": -0.5142, "spread": 0.4537}, "at": 1788309203}, "tier": 2, "alerts": [], "total_sd": 1.002, "total_ci95": [42.862, 47.146], "relegate_reason": [{"code": "solubility", "arg": "-7.01", "limit": -7.0, "text": "극단적 불용성 (logS -7.01 < -7.0)"}], "submitted_at": 1788276877, "scored_at": 1788309203, "rank": null}, {"candidate_id": "ODC-6DE590", "res_at": 1788234554, "skeleton": "BVXLDHDMPXZWAP", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 44.135, "axes": {"activity": 18.84, "binding": 10.48, "selectivity": 5.47, "admet": 3.02, "novelty": 3.18, "synthesis": 3.14}, "detail": {"activity": {"pAct_q10": 5.73, "fraction": 0.628}, "binding": {"pIC50": 6.82, "LE": 0.259, "potency_term": 0.606, "efficiency_cap": 0.865}, "selectivity": {"fold": 8.0, "selectivity_term": 0.452, "target_engagement": 0.606}, "admet": {"geometric_mean": 0.321, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.696, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.345, "cyp3a4-substrate-carbonmangels": 0.996, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.076}}, "novelty": {"max_tanimoto": 0.494, "novelty": 0.506}, "synthesis": {"sa_score": 2.32}}, "run": {"gpu": "3", "pAct_q10": 5.730186805416712, "aff_pf": -0.8180967171986898, "aff_hs": 0.08501251538594563, "repeats_pf": {"runs": 3, "values": [-0.6418, -1.2997, -0.5127], "mean": -0.8181, "spread": 0.787}, "repeats_hs": {"runs": 3, "values": [0.2183, 0.1677, -0.131], "mean": 0.085, "spread": 0.3493}, "at": 1788234554}, "tier": 2, "alerts": [], "total_sd": 3.593, "total_ci95": [39.593, 54.209], "relegate_reason": [{"code": "solubility", "arg": "-7.37", "limit": -7.0, "text": "극단적 불용성 (logS -7.37 < -7.0)"}], "submitted_at": 1788190971, "scored_at": 1788234554, "rank": null}, {"candidate_id": "ODC-75A73B", "res_at": 1788423554, "skeleton": "XIESGIMITMGRPE", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 44.058, "axes": {"activity": 19.42, "binding": 12.04, "selectivity": 3.03, "admet": 3.24, "novelty": 3.11, "synthesis": 3.24}, "detail": {"activity": {"pAct_q10": 5.765, "fraction": 0.647}, "binding": {"pIC50": 7.11, "LE": 0.256, "potency_term": 0.704, "efficiency_cap": 0.855}, "selectivity": {"fold": 2.7, "selectivity_term": 0.215, "target_engagement": 0.704}, "admet": {"geometric_mean": 0.333, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.606, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.567, "cyp3a4-substrate-carbonmangels": 0.331, "ld50-zhu": 0.606, "herg": 0.05, "dili": 0.441}}, "novelty": {"max_tanimoto": 0.52, "novelty": 0.48}, "synthesis": {"sa_score": 2.38}}, "run": {"gpu": "0", "pAct_q10": 5.76492082405023, "aff_pf": -1.1125667492548625, "aff_hs": -0.6827984849611918, "repeats_pf": {"runs": 3, "values": [-1.0705, -1.2665, -1.0007], "mean": -1.1126, "spread": 0.2658}, "repeats_hs": {"runs": 3, "values": [-0.8121, -0.6166, -0.6197], "mean": -0.6828, "spread": 0.1955}, "at": 1788423554}, "tier": 2, "alerts": [], "total_sd": 1.091, "total_ci95": [42.252, 46.784], "relegate_reason": [{"code": "solubility", "arg": "-7.24", "limit": -7.0, "text": "극단적 불용성 (logS -7.24 < -7.0)"}], "submitted_at": 1788361274, "scored_at": 1788423554, "rank": null}, {"candidate_id": "ODC-DC07E8", "res_at": 1786860772, "skeleton": "ZKFIRLFFTIQAAO", "hf_user": "ALEX32321", "display_name": "ALEXAI-70P-G4-Quinolinyl", "model_name": "Fable5xGLM5.2 / OpenCrab-ALEXAI 70+ target v0.1", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 41.38, "axes": {"activity": 12.44, "binding": 11.31, "selectivity": 7.73, "admet": 4.57, "novelty": 2.62, "synthesis": 2.72}, "detail": {"activity": {"pAct_q10": 5.346, "fraction": 0.415}, "binding": {"pIC50": 6.7, "LE": 0.399, "potency_term": 0.565, "efficiency_cap": 1.0}, "selectivity": {"fold": 23.3, "selectivity_term": 0.683, "target_engagement": 0.565}, "admet": {"geometric_mean": 0.538, "per_endpoint": {"solubility-aqsoldb": 0.391, "caco2-wang": 0.839, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.368, "cyp3a4-substrate-carbonmangels": 0.528, "ld50-zhu": 0.44, "herg": 0.459, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.536, "novelty": 0.464}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "3", "pAct_q10": 5.346121042391492, "aff_pf": -0.6960081458091736, "aff_hs": 0.6709415316581726, "repeats_pf": {"runs": 3, "values": [-0.6569, -0.703, -0.7281], "mean": -0.696, "spread": 0.0712}, "repeats_hs": {"runs": 3, "values": [0.6157, 0.7076, 0.6895], "mean": 0.6709, "spread": 0.0919}, "at": 1786860772}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.738", "limit": 0.7, "text": "변이원성(Ames) 0.738 > 0.70"}], "submitted_at": 1786854157, "scored_at": 1786860772, "alerts": [], "rank": null}, {"candidate_id": "ODC-2DBDB0", "res_at": 1788194047, "skeleton": "VLJOKZOLZGNYNZ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCOc1··········2)cc1", "total": 39.426, "axes": {"activity": 18.73, "binding": 11.22, "selectivity": 0.06, "admet": 2.77, "novelty": 3.55, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.724, "fraction": 0.624}, "binding": {"pIC50": 7.08, "LE": 0.243, "potency_term": 0.694, "efficiency_cap": 0.808}, "selectivity": {"fold": 1.0, "selectivity_term": 0.004, "target_engagement": 0.694}, "admet": {"geometric_mean": 0.295, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.645, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.112, "cyp3a4-substrate-carbonmangels": 0.312, "ld50-zhu": 0.72, "herg": 0.05, "dili": 0.241}}, "novelty": {"max_tanimoto": 0.432, "novelty": 0.568}, "synthesis": {"sa_score": 2.52}}, "run": {"gpu": "0", "pAct_q10": 5.723992739857138, "aff_pf": -1.0814281304677327, "aff_hs": -1.0728824536005657, "repeats_pf": {"runs": 3, "values": [-1.053, -1.1816, -1.0097], "mean": -1.0814, "spread": 0.1718}, "repeats_hs": {"runs": 3, "values": [-1.0128, -0.9214, -1.2844], "mean": -1.0729, "spread": 0.3629}, "at": 1788194047}, "tier": 2, "alerts": [], "total_sd": 0.586, "total_ci95": [38.87, 41.318], "relegate_reason": [{"code": "solubility", "arg": "-7.01", "limit": -7.0, "text": "극단적 불용성 (logS -7.01 < -7.0)"}], "submitted_at": 1788190952, "scored_at": 1788194047, "rank": null}, {"candidate_id": "ODC-1FD03D", "res_at": 1787921350, "skeleton": "IHUZPBUNVONFEM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········)c1Br", "total": 39.093, "axes": {"activity": 16.07, "binding": 11.28, "selectivity": 2.13, "admet": 3.64, "novelty": 4.36, "synthesis": 1.61}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.536}, "binding": {"pIC50": 6.69, "LE": 0.316, "potency_term": 0.564, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.189, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 0.929, "pgp-broccatelli": 0.715, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.688, "ld50-zhu": 0.923, "herg": 0.05, "dili": 0.343}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "3", "pAct_q10": 5.564024965801092, "aff_pf": -0.6915006041526794, "aff_hs": -0.31333717703819275, "repeats_pf": {"runs": 3, "values": [-0.6426, -0.6352, -0.7967], "mean": -0.6915, "spread": 0.1616}, "repeats_hs": {"runs": 3, "values": [-0.2182, -0.3114, -0.4104], "mean": -0.3133, "spread": 0.1922}, "at": 1787921350}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.09", "limit": -7.0, "text": "극단적 불용성 (logS -7.09 < -7.0)"}], "submitted_at": 1787918898, "scored_at": 1787921350, "alerts": [], "rank": null}, {"candidate_id": "ODC-5A1E9F", "res_at": 1787934231, "skeleton": "IHUZPBUNVONFEM", "hf_user": "MeroZemory", "display_name": "김지오", "model_name": "Agentryx", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(F··········)c1Br", "total": 38.778, "axes": {"activity": 16.07, "binding": 11.19, "selectivity": 1.98, "admet": 3.62, "novelty": 4.33, "synthesis": 1.6}, "detail": {"activity": {"pAct_q10": 5.564, "fraction": 0.536}, "binding": {"pIC50": 6.68, "LE": 0.315, "potency_term": 0.559, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.177, "target_engagement": 0.559}, "admet": {"geometric_mean": 0.431, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.609, "hia-hou": 1.0, "bioavailability-ma": 0.929, "pgp-broccatelli": 0.715, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.688, "ld50-zhu": 0.923, "herg": 0.05, "dili": 0.343}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 4.0}}, "run": {"gpu": "0", "pAct_q10": 5.564024965801092, "aff_pf": -0.6783242623011271, "aff_hs": -0.32446308930714923, "repeats_pf": {"runs": 3, "values": [-0.6617, -0.7486, -0.6247], "mean": -0.6783, "spread": 0.1239}, "repeats_hs": {"runs": 3, "values": [-0.1703, -0.2972, -0.5059], "mean": -0.3245, "spread": 0.3356}, "at": 1787934231}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.09", "limit": -7.0, "text": "극단적 불용성 (logS -7.09 < -7.0)"}], "submitted_at": 1787918888, "scored_at": 1787934231, "alerts": [], "rank": null}, {"candidate_id": "ODC-A690CF", "res_at": 1788194452, "skeleton": "GRDHXAKSMUZJKM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 38.77, "axes": {"activity": 16.01, "binding": 9.01, "selectivity": 5.02, "admet": 2.78, "novelty": 3.27, "synthesis": 2.67}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 6.58, "LE": 0.257, "potency_term": 0.525, "efficiency_cap": 0.858}, "selectivity": {"fold": 9.0, "selectivity_term": 0.478, "target_engagement": 0.525}, "admet": {"geometric_mean": 0.348, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.668, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.656, "cyp3a4-substrate-carbonmangels": 0.75, "ld50-zhu": 0.607, "herg": 0.05, "dili": 0.26}}, "novelty": {"max_tanimoto": 0.387, "novelty": 0.613}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "0", "pAct_q10": 5.5605114459207865, "aff_pf": -0.5758963624636332, "aff_hs": 0.3804813226064046, "repeats_pf": {"runs": 3, "values": [-0.5202, -0.6501, -0.5574], "mean": -0.5759, "spread": 0.1299}, "repeats_hs": {"runs": 3, "values": [0.3322, 0.3487, 0.4605], "mean": 0.3805, "spread": 0.1283}, "at": 1788194452}, "tier": 2, "alerts": [], "total_sd": 0.522, "total_ci95": [37.915, 39.883], "relegate_reason": [{"code": "solubility", "arg": "-7.41", "limit": -7.0, "text": "극단적 불용성 (logS -7.41 < -7.0)"}], "submitted_at": 1788191009, "scored_at": 1788194452, "rank": null}, {"candidate_id": "ODC-5AA50A", "res_at": 1788306871, "skeleton": "NZCOWRMPNKXUCO", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CC=COc1··········2)cc1", "total": 38.37, "axes": {"activity": 14.48, "binding": 13.11, "selectivity": 0.0, "admet": 3.6, "novelty": 4.16, "synthesis": 3.01}, "detail": {"activity": {"pAct_q10": 5.469, "fraction": 0.483}, "binding": {"pIC50": 7.35, "LE": 0.252, "potency_term": 0.782, "efficiency_cap": 0.839}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.782}, "admet": {"geometric_mean": 0.366, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.656, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.562, "cyp3a4-substrate-carbonmangels": 0.993, "ld50-zhu": 0.757, "herg": 0.05, "dili": 0.335}}, "novelty": {"max_tanimoto": 0.366, "novelty": 0.634}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "0", "pAct_q10": 5.4690769909626775, "aff_pf": -1.3456733624140422, "aff_hs": -1.522867759068807, "repeats_pf": {"runs": 3, "values": [-1.1289, -1.4557, -1.4524], "mean": -1.3457, "spread": 0.3269}, "repeats_hs": {"runs": 3, "values": [-1.7322, -1.2347, -1.6017], "mean": -1.5229, "spread": 0.4974}, "at": 1788306871}, "tier": 2, "alerts": [], "total_sd": 1.298, "total_ci95": [35.523, 40.624], "relegate_reason": [{"code": "solubility", "arg": "-7.02", "limit": -7.0, "text": "극단적 불용성 (logS -7.02 < -7.0)"}], "submitted_at": 1788276884, "scored_at": 1788306871, "rank": null}, {"candidate_id": "ODC-34021F", "res_at": 1788305003, "skeleton": "PHHIFXFYZCAJPC", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "CCCOc1c··········2)cc1", "total": 37.824, "axes": {"activity": 19.21, "binding": 8.29, "selectivity": 0.0, "admet": 3.52, "novelty": 3.6, "synthesis": 3.2}, "detail": {"activity": {"pAct_q10": 5.753, "fraction": 0.64}, "binding": {"pIC50": 6.61, "LE": 0.232, "potency_term": 0.536, "efficiency_cap": 0.774}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.536}, "admet": {"geometric_mean": 0.367, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.628, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.57, "cyp3a4-substrate-carbonmangels": 0.926, "ld50-zhu": 0.701, "herg": 0.05, "dili": 0.46}}, "novelty": {"max_tanimoto": 0.438, "novelty": 0.562}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "0", "pAct_q10": 5.752611815244163, "aff_pf": -0.6073253750801086, "aff_hs": -0.7220668991406759, "repeats_pf": {"runs": 3, "values": [-0.6682, -0.6339, -0.5198], "mean": -0.6073, "spread": 0.1484}, "repeats_hs": {"runs": 3, "values": [-0.7831, -0.8216, -0.5615], "mean": -0.7221, "spread": 0.2601}, "at": 1788305003}, "tier": 2, "alerts": [], "total_sd": 0.251, "total_ci95": [37.509, 38.261], "relegate_reason": [{"code": "solubility", "arg": "-7.26", "limit": -7.0, "text": "극단적 불용성 (logS -7.26 < -7.0)"}], "submitted_at": 1788276504, "scored_at": 1788305003, "rank": null}, {"candidate_id": "ODC-30055E", "res_at": 1786834396, "skeleton": "LBAVGUMBBFFVRA", "hf_user": "rator9521", "display_name": "Agentlas", "model_name": "Agentlas(Opus 5.0)", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "CSc1nc2··········)n2n1", "total": 37.091, "axes": {"activity": 10.39, "binding": 12.41, "selectivity": 7.09, "admet": 2.15, "novelty": 1.94, "synthesis": 3.1}, "detail": {"activity": {"pAct_q10": 5.223, "fraction": 0.346}, "binding": {"pIC50": 6.86, "LE": 0.348, "potency_term": 0.621, "efficiency_cap": 1.0}, "selectivity": {"fold": 13.9, "selectivity_term": 0.572, "target_engagement": 0.621}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.392, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.122, "cyp3a4-substrate-carbonmangels": 0.509, "ld50-zhu": 0.312, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.688, "novelty": 0.312}, "synthesis": {"sa_score": 2.47}}, "run": {"gpu": "3", "pAct_q10": 5.223455365653453, "aff_pf": -0.8616863687833151, "aff_hs": 0.2814090847969055, "repeats_pf": {"runs": 3, "values": [-0.8424, -0.8909, -0.8518], "mean": -0.8617, "spread": 0.0486}, "repeats_hs": {"runs": 3, "values": [0.4613, -0.0178, 0.4008], "mean": 0.2814, "spread": 0.4791}, "at": 1786834396}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.837", "limit": 0.7, "text": "변이원성(Ames) 0.837 > 0.70"}], "submitted_at": 1786800231, "scored_at": 1786834396, "alerts": [], "rank": null}, {"candidate_id": "ODC-535CCB", "res_at": 1787231030, "skeleton": "DESWVTOXTWJCQC", "hf_user": "araai", "display_name": "araai", "model_name": "Ara feedback loop · GPT-5.6 Sol R15", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········2F)s1", "total": 35.628, "axes": {"activity": 7.07, "binding": 13.27, "selectivity": 6.99, "admet": 4.55, "novelty": 1.46, "synthesis": 2.29}, "detail": {"activity": {"pAct_q10": 5.024, "fraction": 0.236}, "binding": {"pIC50": 6.99, "LE": 0.399, "potency_term": 0.664, "efficiency_cap": 1.0}, "selectivity": {"fold": 11.3, "selectivity_term": 0.527, "target_engagement": 0.664}, "admet": {"geometric_mean": 0.457, "per_endpoint": {"solubility-aqsoldb": 0.36, "caco2-wang": 0.889, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.087, "cyp3a4-substrate-carbonmangels": 0.168, "ld50-zhu": 0.621, "herg": 0.273, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.78, "novelty": 0.22}, "synthesis": {"sa_score": 3.58}}, "run": {"gpu": "3", "pAct_q10": 5.0240281171521515, "aff_pf": -0.9907397429148356, "aff_hs": 0.06268852204084396, "repeats_pf": {"runs": 3, "values": [-0.9144, -1.0419, -1.016], "mean": -0.9907, "spread": 0.1275}, "repeats_hs": {"runs": 3, "values": [0.2076, -0.0188, -0.0008], "mean": 0.0627, "spread": 0.2264}, "at": 1787231030}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.755", "limit": 0.7, "text": "변이원성(Ames) 0.755 > 0.70"}], "submitted_at": 1787230841, "scored_at": 1787231030, "alerts": [], "rank": null}, {"candidate_id": "ODC-8218A3", "res_at": 1789881083, "skeleton": "WPVMVODGPNYYEV", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-terra", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 34.706, "axes": {"activity": 1.83, "binding": 13.6, "selectivity": 10.24, "admet": 5.63, "novelty": 0.0, "synthesis": 3.4}, "detail": {"activity": {"pAct_q10": 4.403, "fraction": 0.061}, "binding": {"pIC50": 7.04, "LE": 0.459, "potency_term": 0.68, "efficiency_cap": 1.0}, "selectivity": {"fold": 32.0, "selectivity_term": 0.753, "target_engagement": 0.68}, "admet": {"geometric_mean": 0.552, "per_endpoint": {"solubility-aqsoldb": 0.452, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.939, "cyp2c9-veith": 0.83, "cyp3a4-substrate-carbonmangels": 0.764, "ld50-zhu": 0.307, "herg": 0.463, "dili": 0.05}}, "novelty": {"max_tanimoto": 1.0, "novelty": 0.0}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "2", "pAct_q10": 4.402530198230728, "aff_pf": -1.0405313968658447, "aff_hs": 0.4652300179004669, "repeats_pf": {"runs": 3, "values": [-1.0868, -1.1088, -0.9261], "mean": -1.0405, "spread": 0.1827}, "repeats_hs": {"runs": 3, "values": [0.5032, 0.4138, 0.4787], "mean": 0.4652, "spread": 0.0893}, "at": 1789881083}, "tier": 2, "alerts": [], "total_sd": 1.11, "total_ci95": [32.18, 36.286], "relegate_reason": [{"code": "ames", "arg": "0.944", "limit": 0.7, "text": "변이원성(Ames) 0.944 > 0.70"}], "submitted_at": 1789641003, "scored_at": 1789881083, "rank": null}, {"candidate_id": "ODC-FCC503", "res_at": 1787222468, "skeleton": "HMNKVMZOFZRDFG", "hf_user": "takutoyo", "display_name": "PfD9-C1", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "C[Te]c1··········)n2n1", "total": 34.652, "axes": {"activity": 13.21, "binding": 8.36, "selectivity": 4.24, "admet": 4.89, "novelty": 2.24, "synthesis": 1.71}, "detail": {"activity": {"pAct_q10": 5.393, "fraction": 0.44}, "binding": {"pIC50": 6.25, "LE": 0.408, "potency_term": 0.418, "efficiency_cap": 1.0}, "selectivity": {"fold": 10.3, "selectivity_term": 0.507, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.74, "per_endpoint": {"solubility-aqsoldb": 0.539, "caco2-wang": 0.776, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.959, "cyp3a4-substrate-carbonmangels": 0.992, "ld50-zhu": 0.335, "herg": 0.863, "dili": 0.681}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 3.28}}, "run": {"gpu": "3", "pAct_q10": 5.392883626525069, "aff_pf": -0.25396543244520825, "aff_hs": 0.7600223024686178, "repeats_pf": {"runs": 3, "values": [-0.3928, -0.2994, -0.0697], "mean": -0.254, "spread": 0.3231}, "repeats_hs": {"runs": 3, "values": [0.7691, 0.7666, 0.7443], "mean": 0.76, "spread": 0.0248}, "at": 1787222468}, "tier": 2, "alerts": ["이례원소_Te"], "total_sd": null, "total_ci95": null, "relegate_reason": ["약이 될 수 없는 반응성 구조 - 이례원소_Te"], "submitted_at": 1787218703, "scored_at": 1787222468, "rank": null}, {"candidate_id": "ODC-049D6F", "res_at": 1788333781, "skeleton": "XBICSPINTXAEAH", "hf_user": "Bio-JS", "display_name": "0902-벤즈이미다졸싸이오펜 아자", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········32)s1", "total": 34.492, "axes": {"activity": 9.44, "binding": 12.64, "selectivity": 2.29, "admet": 3.92, "novelty": 3.52, "synthesis": 2.68}, "detail": {"activity": {"pAct_q10": 5.166, "fraction": 0.315}, "binding": {"pIC50": 6.9, "LE": 0.337, "potency_term": 0.632, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.3, "selectivity_term": 0.181, "target_engagement": 0.632}, "admet": {"geometric_mean": 0.414, "per_endpoint": {"solubility-aqsoldb": 0.461, "caco2-wang": 0.812, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.164, "ld50-zhu": 0.787, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.443, "novelty": 0.557}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "0", "pAct_q10": 5.166441327866554, "aff_pf": -0.8963313102722168, "aff_hs": -0.5338620146115621, "repeats_pf": {"runs": 3, "values": [-0.8807, -0.9197, -0.8886], "mean": -0.8963, "spread": 0.039}, "repeats_hs": {"runs": 3, "values": [-0.7754, -0.4448, -0.3814], "mean": -0.5339, "spread": 0.3939}, "at": 1788333781}, "tier": 2, "alerts": [], "total_sd": 0.65, "total_ci95": [33.364, 35.583], "relegate_reason": [{"code": "ames", "arg": "0.738", "limit": 0.7, "text": "변이원성(Ames) 0.738 > 0.70"}], "submitted_at": 1788327460, "scored_at": 1788333781, "rank": null}, {"candidate_id": "ODC-FB8E00", "res_at": 1787698227, "skeleton": "ZQYGJWGEJILEDO", "hf_user": "Bio-JS", "display_name": "팔 사다리: 페닐 (6, −8 · 사다리 끝)", "model_name": "Claude Opus 5", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········cnc12", "total": 34.062, "axes": {"activity": 12.55, "binding": 8.58, "selectivity": 6.78, "admet": 1.48, "novelty": 2.68, "synthesis": 1.98}, "detail": {"activity": {"pAct_q10": 5.353, "fraction": 0.418}, "binding": {"pIC50": 6.29, "LE": 0.308, "potency_term": 0.429, "efficiency_cap": 1.0}, "selectivity": {"fold": 38.1, "selectivity_term": 0.79, "target_engagement": 0.429}, "admet": {"geometric_mean": 0.231, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.404, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.144, "ld50-zhu": 0.423, "herg": 0.05, "dili": 0.21}}, "novelty": {"max_tanimoto": 0.375, "novelty": 0.625}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 5.353221209650589, "aff_pf": -0.28718991577625275, "aff_hs": 1.2932533820470173, "repeats_pf": {"runs": 3, "values": [-0.3049, -0.4274, -0.1292], "mean": -0.2872, "spread": 0.2982}, "repeats_hs": {"runs": 3, "values": [1.3026, 1.1841, 1.3931], "mean": 1.2933, "spread": 0.209}, "at": 1787698227}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.811", "limit": 0.7, "text": "변이원성(Ames) 0.811 > 0.70"}], "submitted_at": 1787696968, "scored_at": 1787698227, "alerts": [], "rank": null}, {"candidate_id": "ODC-12A82A", "res_at": 1789610781, "skeleton": "AMKAOWCKJHJKGK", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········)(F)F", "total": 33.296, "axes": {"activity": 11.96, "binding": 10.46, "selectivity": 2.53, "admet": 3.47, "novelty": 3.6, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 5.317, "fraction": 0.399}, "binding": {"pIC50": 6.69, "LE": 0.278, "potency_term": 0.564, "efficiency_cap": 0.926}, "selectivity": {"fold": 2.8, "selectivity_term": 0.225, "target_engagement": 0.564}, "admet": {"geometric_mean": 0.442, "per_endpoint": {"solubility-aqsoldb": 0.449, "caco2-wang": 0.268, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.937, "cyp2c9-veith": 0.249, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.751, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.312, "novelty": 0.688}, "synthesis": {"sa_score": 4.28}}, "run": {"gpu": "0", "pAct_q10": 5.317399473494268, "aff_pf": -0.6934350927670797, "aff_hs": -0.24441730976104736, "repeats_pf": {"runs": 3, "values": [-0.5914, -0.7486, -0.7403], "mean": -0.6934, "spread": 0.1572}, "repeats_hs": {"runs": 3, "values": [-0.263, -0.0431, -0.4271], "mean": -0.2444, "spread": 0.384}, "at": 1789610781}, "tier": 2, "alerts": ["알파할로_헤테로원자"], "total_sd": 0.969, "total_ci95": [31.2, 35.097], "relegate_reason": ["약이 될 수 없는 반응성 구조 - 알파할로_헤테로원자"], "submitted_at": 1789609905, "scored_at": 1789610781, "rank": null}, {"candidate_id": "ODC-68EF72", "res_at": 1788194656, "skeleton": "KFMFKVRUOSVYHV", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc2··········2)cc1", "total": 33.133, "axes": {"activity": 14.34, "binding": 7.46, "selectivity": 3.35, "admet": 2.58, "novelty": 3.02, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 5.46, "fraction": 0.478}, "binding": {"pIC50": 6.32, "LE": 0.255, "potency_term": 0.439, "efficiency_cap": 0.849}, "selectivity": {"fold": 5.8, "selectivity_term": 0.382, "target_engagement": 0.439}, "admet": {"geometric_mean": 0.36, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.683, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.783, "cyp3a4-substrate-carbonmangels": 0.684, "ld50-zhu": 0.709, "herg": 0.05, "dili": 0.28}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.34}}, "run": {"gpu": "0", "pAct_q10": 5.460141751948185, "aff_pf": -0.31814685960610706, "aff_hs": 0.44504756728808087, "repeats_pf": {"runs": 3, "values": [-0.3577, -0.4885, -0.1083], "mean": -0.3181, "spread": 0.3802}, "repeats_hs": {"runs": 3, "values": [0.3786, 0.3206, 0.6359], "mean": 0.445, "spread": 0.3153}, "at": 1788194656}, "tier": 2, "alerts": [], "total_sd": 1.318, "total_ci95": [30.817, 35.454], "relegate_reason": [{"code": "solubility", "arg": "-7.13", "limit": -7.0, "text": "극단적 불용성 (logS -7.13 < -7.0)"}], "submitted_at": 1788191018, "scored_at": 1788194656, "rank": null}, {"candidate_id": "ODC-AFE996", "res_at": 1788265049, "skeleton": "MHUSTAIGMOFZEQ", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "500-550", "visibility": "private", "smiles": null, "smiles_masked": "COCCOc1··········2)cc1", "total": 31.982, "axes": {"activity": 15.91, "binding": 6.33, "selectivity": 1.01, "admet": 2.61, "novelty": 3.47, "synthesis": 2.65}, "detail": {"activity": {"pAct_q10": 5.555, "fraction": 0.53}, "binding": {"pIC50": 6.26, "LE": 0.226, "potency_term": 0.421, "efficiency_cap": 0.753}, "selectivity": {"fold": 1.7, "selectivity_term": 0.12, "target_engagement": 0.421}, "admet": {"geometric_mean": 0.328, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.755, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.53, "cyp3a4-substrate-carbonmangels": 0.217, "ld50-zhu": 0.673, "herg": 0.05, "dili": 0.289}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.48}}, "run": {"gpu": "3", "pAct_q10": 5.5546941033895, "aff_pf": -0.2617785185575485, "aff_hs": -0.02167303611834844, "repeats_pf": {"runs": 3, "values": [-0.2457, -0.1634, -0.3762], "mean": -0.2618, "spread": 0.2128}, "repeats_hs": {"runs": 3, "values": [0.0506, 0.0404, -0.156], "mean": -0.0217, "spread": 0.2066}, "at": 1788265049}, "tier": 2, "alerts": [], "total_sd": 0.607, "total_ci95": [30.923, 33.283], "relegate_reason": [{"code": "solubility", "arg": "-7.15", "limit": -7.0, "text": "극단적 불용성 (logS -7.15 < -7.0)"}], "submitted_at": 1788223311, "scored_at": 1788265049, "rank": null}, {"candidate_id": "ODC-C25556", "res_at": 1787132658, "skeleton": "ILZSZJPWXJVGMB", "hf_user": "Ku-ku", "display_name": "NB4_ethyl_benzothiazolylamino", "model_name": "triazolo-novel-periphery", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 30.505, "axes": {"activity": 9.06, "binding": 10.67, "selectivity": 2.03, "admet": 3.77, "novelty": 2.32, "synthesis": 2.66}, "detail": {"activity": {"pAct_q10": 5.144, "fraction": 0.302}, "binding": {"pIC50": 6.6, "LE": 0.411, "potency_term": 0.534, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.19, "target_engagement": 0.534}, "admet": {"geometric_mean": 0.47, "per_endpoint": {"solubility-aqsoldb": 0.531, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.415, "cyp3a4-substrate-carbonmangels": 0.388, "ld50-zhu": 0.291, "herg": 0.094, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.566, "novelty": 0.434}, "synthesis": {"sa_score": 2.51}}, "run": {"gpu": "3", "pAct_q10": 5.143815564606197, "aff_pf": -0.6006449858347574, "aff_hs": -0.22007330258687338, "repeats_pf": {"runs": 3, "values": [-0.6027, -0.6304, -0.5688], "mean": -0.6006, "spread": 0.0616}, "repeats_hs": {"runs": 3, "values": [-0.3047, -0.1873, -0.1682], "mean": -0.2201, "spread": 0.1364}, "at": 1787132658}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.896", "limit": 0.7, "text": "변이원성(Ames) 0.896 > 0.70"}], "submitted_at": 1787125200, "scored_at": 1787132658, "alerts": [], "rank": null}, {"candidate_id": "ODC-C65B91", "res_at": 1787698031, "skeleton": "NPSFPPXHWJQVOX", "hf_user": "Bio-JS", "display_name": "팔 사다리: 4-메톡시페닐 (8, −6)", "model_name": "Claude Opus 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········3)cc1", "total": 29.769, "axes": {"activity": 12.4, "binding": 7.21, "selectivity": 4.31, "admet": 1.37, "novelty": 2.59, "synthesis": 1.89}, "detail": {"activity": {"pAct_q10": 5.344, "fraction": 0.413}, "binding": {"pIC50": 6.15, "LE": 0.281, "potency_term": 0.385, "efficiency_cap": 0.937}, "selectivity": {"fold": 13.2, "selectivity_term": 0.56, "target_engagement": 0.385}, "admet": {"geometric_mean": 0.221, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.394, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.452, "herg": 0.05, "dili": 0.302}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.3438994020689, "aff_pf": -0.1541555052002271, "aff_hs": 0.9648616512616476, "repeats_pf": {"runs": 3, "values": [-0.2098, -0.1736, -0.0791], "mean": -0.1542, "spread": 0.1308}, "repeats_hs": {"runs": 3, "values": [1.11, 0.8554, 0.9291], "mean": 0.9649, "spread": 0.2546}, "at": 1787698031}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.819", "limit": 0.7, "text": "변이원성(Ames) 0.819 > 0.70"}], "submitted_at": 1787696958, "scored_at": 1787698031, "alerts": [], "rank": null}, {"candidate_id": "ODC-F4BE8B", "res_at": 1787070888, "skeleton": "XMVNDLOZWVAKGU", "hf_user": "choa712", "display_name": "Lucy", "model_name": "Claude Opus 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 29.703, "axes": {"activity": 11.9, "binding": 7.34, "selectivity": 4.38, "admet": 1.53, "novelty": 2.7, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.314, "fraction": 0.397}, "binding": {"pIC50": 6.27, "LE": 0.26, "potency_term": 0.423, "efficiency_cap": 0.868}, "selectivity": {"fold": 10.8, "selectivity_term": 0.517, "target_engagement": 0.423}, "admet": {"geometric_mean": 0.257, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.505, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.591, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 5.313866756512098, "aff_pf": -0.2689639826615651, "aff_hs": 0.7658330003420512, "repeats_pf": {"runs": 3, "values": [-0.0735, -0.3264, -0.407], "mean": -0.269, "spread": 0.3334}, "repeats_hs": {"runs": 3, "values": [0.7575, 0.7063, 0.8337], "mean": 0.7658, "spread": 0.1275}, "at": 1787070888}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.00", "limit": -7.0, "text": "극단적 불용성 (logS -7.00 < -7.0)"}], "submitted_at": 1787065429, "scored_at": 1787070888, "alerts": [], "rank": null}, {"candidate_id": "ODC-932EFF", "res_at": 1787340028, "skeleton": "KGZFUEMGUIHAJJ", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "400-450", "visibility": "public", "smiles": "Cc1nnc2cc(-c3ccc(OC(F)(F)F)cc3)cnc2c1-c1ccc(C(C)(C)C#N)cc1", "smiles_masked": null, "total": 29.113, "axes": {"activity": 7.16, "binding": 11.17, "selectivity": 2.43, "admet": 2.21, "novelty": 3.55, "synthesis": 2.59}, "detail": {"activity": {"pAct_q10": 5.029, "fraction": 0.239}, "binding": {"pIC50": 6.78, "LE": 0.282, "potency_term": 0.595, "efficiency_cap": 0.939}, "selectivity": {"fold": 2.6, "selectivity_term": 0.205, "target_engagement": 0.595}, "admet": {"geometric_mean": 0.264, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.654, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.343, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.669, "herg": 0.05, "dili": 0.102}}, "novelty": {"max_tanimoto": 0.364, "novelty": 0.636}, "synthesis": {"sa_score": 2.76}}, "run": {"gpu": "3", "pAct_q10": 5.029459708364501, "aff_pf": -0.7845247189203898, "aff_hs": -0.37523611386617023, "repeats_pf": {"runs": 3, "values": [-0.734, -0.697, -0.9225], "mean": -0.7845, "spread": 0.2255}, "repeats_hs": {"runs": 3, "values": [-0.3613, -0.3956, -0.3688], "mean": -0.3752, "spread": 0.0343}, "at": 1787340028}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.52", "limit": -7.0, "text": "극단적 불용성 (logS -7.52 < -7.0)"}], "submitted_at": 1787339818, "scored_at": 1787340028, "alerts": [], "rank": null}, {"candidate_id": "ODC-E6E960", "res_at": 1788334854, "skeleton": "OIXNHFRIZMNZTJ", "hf_user": "Bio-JS", "display_name": "0902-벤즈이미다졸싸이오펜 벤조", "model_name": "Claude Fable 5", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········32)s1", "total": 28.318, "axes": {"activity": 13.04, "binding": 8.35, "selectivity": 0.32, "admet": 2.73, "novelty": 1.93, "synthesis": 1.95}, "detail": {"activity": {"pAct_q10": 5.382, "fraction": 0.435}, "binding": {"pIC50": 6.25, "LE": 0.306, "potency_term": 0.418, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.2, "selectivity_term": 0.038, "target_engagement": 0.418}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.419, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.955, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.247, "ld50-zhu": 0.822, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.556, "novelty": 0.444}, "synthesis": {"sa_score": 2.86}}, "run": {"gpu": "3", "pAct_q10": 5.3822147996297, "aff_pf": -0.25297098358472186, "aff_hs": -0.176240012049675, "repeats_pf": {"runs": 3, "values": [-0.1934, -0.3117, -0.2538], "mean": -0.253, "spread": 0.1183}, "repeats_hs": {"runs": 3, "values": [-0.1479, -0.1059, -0.2748], "mean": -0.1762, "spread": 0.1689}, "at": 1788334854}, "tier": 2, "alerts": [], "total_sd": 0.354, "total_ci95": [27.735, 29.004], "relegate_reason": [{"code": "ames", "arg": "0.814", "limit": 0.7, "text": "변이원성(Ames) 0.814 > 0.70"}], "submitted_at": 1788327451, "scored_at": 1788334854, "rank": null}, {"candidate_id": "ODC-E35734", "res_at": 1786932395, "skeleton": "MQLDRMIGJOKOSR", "hf_user": "Jakeshin112", "display_name": "changgojigi", "model_name": "Hermes/OpenCrab Batch-010 80-target score-conditioned", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.662, "axes": {"activity": 14.59, "binding": 4.7, "selectivity": 1.88, "admet": 1.98, "novelty": 2.2, "synthesis": 2.31}, "detail": {"activity": {"pAct_q10": 5.475, "fraction": 0.486}, "binding": {"pIC50": 5.87, "LE": 0.244, "potency_term": 0.29, "efficiency_cap": 0.812}, "selectivity": {"fold": 4.4, "selectivity_term": 0.324, "target_engagement": 0.29}, "admet": {"geometric_mean": 0.271, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.589, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.179, "cyp3a4-substrate-carbonmangels": 0.278, "ld50-zhu": 0.767, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.548, "novelty": 0.452}, "synthesis": {"sa_score": 2.67}}, "run": {"gpu": "3", "pAct_q10": 5.475479878165846, "aff_pf": 0.1312927504380544, "aff_hs": 0.7794197003046671, "repeats_pf": {"runs": 3, "values": [0.4317, -0.0372, -0.0006], "mean": 0.1313, "spread": 0.4689}, "repeats_hs": {"runs": 3, "values": [0.7925, 0.8352, 0.7106], "mean": 0.7794, "spread": 0.1246}, "at": 1786932395}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.12", "limit": -7.0, "text": "극단적 불용성 (logS -7.12 < -7.0)"}], "submitted_at": 1786925671, "scored_at": 1786932395, "alerts": [], "rank": null}, {"candidate_id": "ODC-FE5DAA", "res_at": 1787239694, "skeleton": "GYOVMWUAFQIEGE", "hf_user": "PhD-Shin", "display_name": "PhD-Shin", "model_name": "claude-opus-5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1cc(··········)nc12", "total": 27.63, "axes": {"activity": 15.54, "binding": 2.76, "selectivity": 1.48, "admet": 1.87, "novelty": 3.48, "synthesis": 2.51}, "detail": {"activity": {"pAct_q10": 5.532, "fraction": 0.518}, "binding": {"pIC50": 5.57, "LE": 0.218, "potency_term": 0.19, "efficiency_cap": 0.727}, "selectivity": {"fold": 6.0, "selectivity_term": 0.388, "target_engagement": 0.19}, "admet": {"geometric_mean": 0.241, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.558, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.753, "ld50-zhu": 0.377, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.61}}, "run": {"gpu": "3", "pAct_q10": 5.532225635107421, "aff_pf": 0.4298580487569173, "aff_hs": 1.2063829104105632, "repeats_pf": {"runs": 3, "values": [0.4464, 0.4857, 0.3574], "mean": 0.4299, "spread": 0.1283}, "repeats_hs": {"runs": 3, "values": [1.1454, 1.236, 1.2378], "mean": 1.2064, "spread": 0.0924}, "at": 1787239694}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.27", "limit": -7.0, "text": "극단적 불용성 (logS -7.27 < -7.0)"}], "submitted_at": 1787234366, "scored_at": 1787239694, "alerts": [], "rank": null}, {"candidate_id": "ODC-28D97B", "res_at": 1789917522, "skeleton": "OISRPDBBLZWLQB", "hf_user": "topabaem", "display_name": "Sisyphus-ODC", "model_name": "Union Alpha · RSI r2 (v3 measured-model)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 27.021, "axes": {"activity": 2.93, "binding": 10.08, "selectivity": 6.47, "admet": 3.88, "novelty": 1.15, "synthesis": 2.52}, "detail": {"activity": {"pAct_q10": 4.59, "fraction": 0.098}, "binding": {"pIC50": 6.51, "LE": 0.406, "potency_term": 0.504, "efficiency_cap": 1.0}, "selectivity": {"fold": 19.2, "selectivity_term": 0.642, "target_engagement": 0.504}, "admet": {"geometric_mean": 0.513, "per_endpoint": {"solubility-aqsoldb": 0.351, "caco2-wang": 0.803, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.898, "cyp2c9-veith": 0.841, "cyp3a4-substrate-carbonmangels": 0.21, "ld50-zhu": 0.432, "herg": 0.378, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.773, "novelty": 0.227}, "synthesis": {"sa_score": 2.33}}, "run": {"gpu": "0", "pAct_q10": 4.5904021056797, "aff_pf": -0.5122291247049967, "aff_hs": 0.7708265781402588, "repeats_pf": {"runs": 3, "values": [-0.4131, -0.6528, -0.4708], "mean": -0.5122, "spread": 0.2396}, "repeats_hs": {"runs": 3, "values": [0.8099, 0.7576, 0.745], "mean": 0.7708, "spread": 0.0649}, "at": 1789917522}, "tier": 2, "alerts": [], "total_sd": 1.358, "total_ci95": [24.955, 30.035], "relegate_reason": [{"code": "ames", "arg": "0.936", "limit": 0.7, "text": "변이원성(Ames) 0.936 > 0.70"}], "submitted_at": 1789695328, "scored_at": 1789917522, "rank": null}, {"candidate_id": "ODC-C0F1F5", "res_at": 1787426939, "skeleton": "GKQVKUXVDISNEB", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1nc··········ccc12", "total": 26.611, "axes": {"activity": 16.02, "binding": 1.63, "selectivity": 0.63, "admet": 2.35, "novelty": 3.42, "synthesis": 2.55}, "detail": {"activity": {"pAct_q10": 5.561, "fraction": 0.534}, "binding": {"pIC50": 5.35, "LE": 0.209, "potency_term": 0.117, "efficiency_cap": 0.698}, "selectivity": {"fold": 3.5, "selectivity_term": 0.27, "target_engagement": 0.117}, "admet": {"geometric_mean": 0.294, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.667, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.139, "cyp3a4-substrate-carbonmangels": 0.756, "ld50-zhu": 0.748, "herg": 0.05, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.359, "novelty": 0.641}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 5.561209881255454, "aff_pf": 0.6493414044380188, "aff_hs": 1.1899427970250447, "repeats_pf": {"runs": 3, "values": [0.6776, 0.6077, 0.6627], "mean": 0.6493, "spread": 0.0699}, "repeats_hs": {"runs": 3, "values": [1.2102, 1.1219, 1.2377], "mean": 1.1899, "spread": 0.1158}, "at": 1787426939}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.10", "limit": -7.0, "text": "극단적 불용성 (logS -7.10 < -7.0)"}], "submitted_at": 1787425244, "scored_at": 1787426939, "alerts": [], "rank": null}, {"candidate_id": "ODC-838C6F", "res_at": 1786846067, "skeleton": "PICVFDLWAPFVHL", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2COC2)s1", "smiles_masked": null, "total": 25.942, "axes": {"activity": 10.37, "binding": 9.05, "selectivity": 1.25, "admet": 2.52, "novelty": 0.71, "synthesis": 2.04}, "detail": {"activity": {"pAct_q10": 5.222, "fraction": 0.346}, "binding": {"pIC50": 6.36, "LE": 0.363, "potency_term": 0.452, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.9, "selectivity_term": 0.138, "target_engagement": 0.452}, "admet": {"geometric_mean": 0.372, "per_endpoint": {"solubility-aqsoldb": 0.547, "caco2-wang": 0.824, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.104, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.368, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.842, "novelty": 0.158}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "1", "pAct_q10": 5.222294704267387, "aff_pf": -0.3570191164811452, "aff_hs": -0.08106965571641922, "repeats_pf": {"runs": 3, "values": [-0.3842, -0.3422, -0.3447], "mean": -0.357, "spread": 0.042}, "repeats_hs": {"runs": 3, "values": [-0.1559, 0.0434, -0.1307], "mean": -0.0811, "spread": 0.1993}, "at": 1786846067}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.836", "limit": 0.7, "text": "변이원성(Ames) 0.836 > 0.70"}], "submitted_at": 1786845787, "scored_at": 1786846067, "alerts": [], "rank": null}, {"candidate_id": "ODC-616491", "res_at": 1788966066, "skeleton": "CHUYFSDJILGUTJ", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1nc2··········)n2n1", "total": 24.603, "axes": {"activity": 10.34, "binding": 7.91, "selectivity": 0.0, "admet": 2.95, "novelty": 1.54, "synthesis": 1.86}, "detail": {"activity": {"pAct_q10": 5.22, "fraction": 0.345}, "binding": {"pIC50": 6.19, "LE": 0.353, "potency_term": 0.396, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.396}, "admet": {"geometric_mean": 0.497, "per_endpoint": {"solubility-aqsoldb": 0.531, "caco2-wang": 0.7, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.342, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.508, "herg": 0.05, "dili": 0.923}}, "novelty": {"max_tanimoto": 0.611, "novelty": 0.389}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "0", "pAct_q10": 5.220409215498931, "aff_pf": -0.18708098928133646, "aff_hs": -0.2429128736257553, "repeats_pf": {"runs": 3, "values": [-0.1694, -0.1456, -0.2462], "mean": -0.1871, "spread": 0.1006}, "repeats_hs": {"runs": 3, "values": [-0.1869, -0.2786, -0.2633], "mean": -0.2429, "spread": 0.0917}, "at": 1788966066}, "tier": 2, "alerts": [], "total_sd": 0.313, "total_ci95": [24.104, 25.327], "relegate_reason": [{"code": "ames", "arg": "0.831", "limit": 0.7, "text": "변이원성(Ames) 0.831 > 0.70"}], "submitted_at": 1788963528, "scored_at": 1788966066, "rank": null}, {"candidate_id": "ODC-267E88", "res_at": 1787497723, "skeleton": "XUTIXCIXXJHWHA", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCCCNC··········c2)s1", "total": 24.067, "axes": {"activity": 13.34, "binding": 3.69, "selectivity": 0.34, "admet": 1.64, "novelty": 2.83, "synthesis": 2.22}, "detail": {"activity": {"pAct_q10": 5.4, "fraction": 0.445}, "binding": {"pIC50": 5.7, "LE": 0.237, "potency_term": 0.234, "efficiency_cap": 0.789}, "selectivity": {"fold": 1.4, "selectivity_term": 0.073, "target_engagement": 0.234}, "admet": {"geometric_mean": 0.246, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.514, "hia-hou": 1.0, "bioavailability-ma": 0.414, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.396, "cyp3a4-substrate-carbonmangels": 0.075, "ld50-zhu": 0.426, "herg": 0.05, "dili": 0.479}}, "novelty": {"max_tanimoto": 0.362, "novelty": 0.637}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "3", "pAct_q10": 5.400256815313225, "aff_pf": 0.29872554043928784, "aff_hs": 0.4453117350737254, "repeats_pf": {"runs": 3, "values": [0.034, 0.4671, 0.395], "mean": 0.2987, "spread": 0.4331}, "repeats_hs": {"runs": 3, "values": [0.5329, 0.4073, 0.3957], "mean": 0.4453, "spread": 0.1373}, "at": 1787497723}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.14", "limit": -7.0, "text": "극단적 불용성 (logS -7.14 < -7.0)"}], "submitted_at": 1787491775, "scored_at": 1787497723, "alerts": [], "rank": null}, {"candidate_id": "ODC-F9332E", "res_at": 1788964700, "skeleton": "JWOSFHDBQFKJKW", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 23.686, "axes": {"activity": 9.57, "binding": 7.34, "selectivity": 1.54, "admet": 2.46, "novelty": 1.03, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.174, "fraction": 0.319}, "binding": {"pIC50": 6.1, "LE": 0.348, "potency_term": 0.367, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.209, "target_engagement": 0.367}, "admet": {"geometric_mean": 0.447, "per_endpoint": {"solubility-aqsoldb": 0.421, "caco2-wang": 0.659, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.467, "herg": 0.05, "dili": 0.814}}, "novelty": {"max_tanimoto": 0.72, "novelty": 0.28}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "0", "pAct_q10": 5.174267574258077, "aff_pf": -0.10091750820477803, "aff_hs": 0.31780598560969037, "repeats_pf": {"runs": 3, "values": [-0.0242, -0.1423, -0.1363], "mean": -0.1009, "spread": 0.1182}, "repeats_hs": {"runs": 3, "values": [0.2958, 0.3414, 0.3162], "mean": 0.3178, "spread": 0.0456}, "at": 1788964700}, "tier": 2, "alerts": [], "total_sd": 0.507, "total_ci95": [22.441, 24.373], "relegate_reason": [{"code": "ames", "arg": "0.703", "limit": 0.7, "text": "변이원성(Ames) 0.703 > 0.70"}], "submitted_at": 1788963217, "scored_at": 1788964700, "rank": null}, {"candidate_id": "ODC-03D5AF", "res_at": 1787232197, "skeleton": "NKIJNFMSYDSAJK", "hf_user": "Bio-JS", "display_name": "Bio-JS", "model_name": "Claude Fable 5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1c(C(··········)[O-]", "total": 22.591, "axes": {"activity": 2.55, "binding": 9.56, "selectivity": 3.75, "admet": 2.68, "novelty": 1.66, "synthesis": 2.39}, "detail": {"activity": {"pAct_q10": 4.535, "fraction": 0.085}, "binding": {"pIC50": 6.43, "LE": 0.42, "potency_term": 0.478, "efficiency_cap": 1.0}, "selectivity": {"fold": 6.1, "selectivity_term": 0.392, "target_engagement": 0.478}, "admet": {"geometric_mean": 0.373, "per_endpoint": {"solubility-aqsoldb": 0.074, "caco2-wang": 0.912, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.362, "cyp3a4-substrate-carbonmangels": 0.285, "ld50-zhu": 0.126, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.652, "novelty": 0.348}, "synthesis": {"sa_score": 1.91}}, "run": {"gpu": "3", "pAct_q10": 4.535092130923555, "aff_pf": -0.4345358610153198, "aff_hs": 0.34876909852027893, "repeats_pf": {"runs": 3, "values": [-0.4253, -0.3376, -0.5407], "mean": -0.4345, "spread": 0.2032}, "repeats_hs": {"runs": 3, "values": [0.2624, 0.3069, 0.477], "mean": 0.3488, "spread": 0.2146}, "at": 1787232197}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.798", "limit": 0.7, "text": "변이원성(Ames) 0.798 > 0.70"}], "submitted_at": 1787231840, "scored_at": 1787232197, "alerts": [], "rank": null}, {"candidate_id": "ODC-F48290", "res_at": 1787136050, "skeleton": "XZYXTYLDGPJOLD", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········c2)c1", "total": 22.493, "axes": {"activity": 14.06, "binding": 0.94, "selectivity": 0.0, "admet": 2.4, "novelty": 2.75, "synthesis": 2.34}, "detail": {"activity": {"pAct_q10": 5.443, "fraction": 0.469}, "binding": {"pIC50": 4.88, "LE": 0.191, "potency_term": 0.074, "efficiency_cap": 0.637}, "selectivity": {"fold": 1.5, "selectivity_term": 0.087, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.342, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.684, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.76, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.345, "herg": 0.05, "dili": 0.39}}, "novelty": {"max_tanimoto": 0.414, "novelty": 0.586}, "synthesis": {"sa_score": 2.1}}, "run": {"gpu": "3", "pAct_q10": 5.443387666285094, "aff_pf": 1.1204429467519124, "aff_hs": 1.2941226561864216, "repeats_pf": {"runs": 3, "values": [1.1679, 1.1055, 1.0879], "mean": 1.1204, "spread": 0.08}, "repeats_hs": {"runs": 3, "values": [1.3123, 1.3201, 1.25], "mean": 1.2941, "spread": 0.07}, "at": 1787136050}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.22", "limit": -7.0, "text": "극단적 불용성 (logS -7.22 < -7.0)"}], "submitted_at": 1787134853, "scored_at": 1787136050, "alerts": [], "rank": null}, {"candidate_id": "ODC-313638", "res_at": 1789352123, "skeleton": "TWIULFSLCMJWNG", "hf_user": "Bio-JS", "display_name": "0914-S1-div08", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········nc2n1", "total": 22.044, "axes": {"activity": 9.58, "binding": 5.18, "selectivity": 1.2, "admet": 2.77, "novelty": 1.93, "synthesis": 1.39}, "detail": {"activity": {"pAct_q10": 5.175, "fraction": 0.319}, "binding": {"pIC50": 5.78, "LE": 0.36, "potency_term": 0.259, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.9, "selectivity_term": 0.231, "target_engagement": 0.259}, "admet": {"geometric_mean": 0.578, "per_endpoint": {"solubility-aqsoldb": 0.482, "caco2-wang": 0.53, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.974, "cyp3a4-substrate-carbonmangels": 0.775, "ld50-zhu": 0.379, "herg": 0.76, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.397, "novelty": 0.603}, "synthesis": {"sa_score": 2.94}}, "run": {"gpu": "0", "pAct_q10": 5.174817247388463, "aff_pf": 0.22359472016493478, "aff_hs": 0.6861974199612936, "repeats_pf": {"runs": 3, "values": [0.2174, 0.1006, 0.3528], "mean": 0.2236, "spread": 0.2522}, "repeats_hs": {"runs": 3, "values": [0.7153, 0.6954, 0.6478], "mean": 0.6862, "spread": 0.0675}, "at": 1789352123}, "tier": 2, "alerts": [], "total_sd": 0.67, "total_ci95": [20.704, 23.354], "relegate_reason": [{"code": "ames", "arg": "0.700", "limit": 0.7, "text": "변이원성(Ames) 0.700 > 0.70"}], "submitted_at": 1789346098, "scored_at": 1789352123, "rank": null}, {"candidate_id": "ODC-1BEBB7", "res_at": 1787135473, "skeleton": "NLINSIKGTZDPPP", "hf_user": "donglemusic", "display_name": "donglemusic", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "CCCNC(=··········c2)c1", "total": 21.377, "axes": {"activity": 12.79, "binding": 1.61, "selectivity": 0.15, "admet": 2.09, "novelty": 2.61, "synthesis": 2.13}, "detail": {"activity": {"pAct_q10": 5.367, "fraction": 0.426}, "binding": {"pIC50": 5.35, "LE": 0.209, "potency_term": 0.116, "efficiency_cap": 0.698}, "selectivity": {"fold": 1.4, "selectivity_term": 0.067, "target_engagement": 0.116}, "admet": {"geometric_mean": 0.326, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.561, "hia-hou": 1.0, "bioavailability-ma": 0.761, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.444, "cyp3a4-substrate-carbonmangels": 0.531, "ld50-zhu": 0.602, "herg": 0.05, "dili": 0.519}}, "novelty": {"max_tanimoto": 0.388, "novelty": 0.612}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 5.367133422400506, "aff_pf": 0.6533934871355692, "aff_hs": 0.7871206998825073, "repeats_pf": {"runs": 3, "values": [0.6245, 0.7349, 0.6008], "mean": 0.6534, "spread": 0.1341}, "repeats_hs": {"runs": 3, "values": [0.7648, 0.8203, 0.7763], "mean": 0.7871, "spread": 0.0555}, "at": 1787135473}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.09", "limit": -7.0, "text": "극단적 불용성 (logS -7.09 < -7.0)"}], "submitted_at": 1787134822, "scored_at": 1787135473, "alerts": [], "rank": null}, {"candidate_id": "ODC-A3A5A8", "res_at": 1786959305, "skeleton": "XAYQTMZGDFOJPS", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-5)", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "NN1CN(c··········)C1=O", "total": 19.883, "axes": {"activity": 4.68, "binding": 6.64, "selectivity": 1.74, "admet": 3.2, "novelty": 2.29, "synthesis": 1.34}, "detail": {"activity": {"pAct_q10": 4.881, "fraction": 0.156}, "binding": {"pIC50": 6.0, "LE": 0.373, "potency_term": 0.332, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.263, "target_engagement": 0.332}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.602, "caco2-wang": 0.92, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.291, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.309, "novelty": 0.691}, "synthesis": {"sa_score": 3.18}}, "run": {"gpu": "2", "pAct_q10": 4.880594588999825, "aff_pf": 0.004328211148579915, "aff_hs": 0.5295389493306478, "repeats_pf": {"runs": 3, "values": [-0.0307, -0.0386, 0.0822], "mean": 0.0043, "spread": 0.1208}, "repeats_hs": {"runs": 3, "values": [0.4804, 0.6091, 0.4992], "mean": 0.5295, "spread": 0.1287}, "at": 1786959305}, "tier": 2, "alerts": ["마이클수용체_말단"], "total_sd": null, "total_ci95": null, "relegate_reason": [{"code": "ames", "arg": "0.741", "limit": 0.7, "text": "변이원성(Ames) 0.741 > 0.70"}], "submitted_at": 1786958950, "scored_at": 1786959305, "rank": null}, {"candidate_id": "ODC-058B6F", "res_at": 1787214180, "skeleton": "QMVVJVNFHIIXRL", "hf_user": "hansu99", "display_name": "R0K", "model_name": "ASTB-3", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccn12", "total": 19.798, "axes": {"activity": 11.09, "binding": 2.2, "selectivity": 0.88, "admet": 1.44, "novelty": 2.33, "synthesis": 1.85}, "detail": {"activity": {"pAct_q10": 5.266, "fraction": 0.37}, "binding": {"pIC50": 5.4, "LE": 0.247, "potency_term": 0.134, "efficiency_cap": 0.822}, "selectivity": {"fold": 4.6, "selectivity_term": 0.33, "target_engagement": 0.134}, "admet": {"geometric_mean": 0.26, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.706, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.058, "cyp2c9-veith": 0.08, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.34, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.37, "novelty": 0.63}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "3", "pAct_q10": 5.265542341722861, "aff_pf": 0.5981872081756592, "aff_hs": 1.258676012357076, "repeats_pf": {"runs": 3, "values": [0.6161, 0.5855, 0.5929], "mean": 0.5982, "spread": 0.0306}, "repeats_hs": {"runs": 3, "values": [1.3318, 1.2019, 1.2423], "mean": 1.2587, "spread": 0.1299}, "at": 1787214180}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.27", "limit": -7.0, "text": "극단적 불용성 (logS -7.27 < -7.0)"}], "submitted_at": 1787212962, "scored_at": 1787214180, "alerts": [], "rank": null}, {"candidate_id": "ODC-5129C0", "res_at": 1787921574, "skeleton": "JQEBWKUUFHIFEC", "hf_user": "Jojun8403", "display_name": "Warecube_jo", "model_name": "Meta ai", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc(N··········2)c1C", "total": 19.693, "axes": {"activity": 12.61, "binding": 0.87, "selectivity": 0.0, "admet": 1.7, "novelty": 2.41, "synthesis": 2.1}, "detail": {"activity": {"pAct_q10": 5.357, "fraction": 0.42}, "binding": {"pIC50": 4.83, "LE": 0.2, "potency_term": 0.065, "efficiency_cap": 0.668}, "selectivity": {"fold": 1.8, "selectivity_term": 0.122, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.27, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.867, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.885, "ld50-zhu": 0.53, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.426, "novelty": 0.574}, "synthesis": {"sa_score": 2.44}}, "run": {"gpu": "3", "pAct_q10": 5.356577656327225, "aff_pf": 1.1720203161239624, "aff_hs": 1.415120522181193, "repeats_pf": {"runs": 3, "values": [1.0347, 1.1197, 1.3617], "mean": 1.172, "spread": 0.3269}, "repeats_hs": {"runs": 3, "values": [1.3588, 1.4765, 1.41], "mean": 1.4151, "spread": 0.1177}, "at": 1787921574}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.10", "limit": -7.0, "text": "극단적 불용성 (logS -7.10 < -7.0)"}], "submitted_at": 1787919237, "scored_at": 1787921574, "alerts": [], "rank": null}, {"candidate_id": "ODC-C9BEC6", "res_at": 1787132284, "skeleton": "KSCGDYYOXFOANR", "hf_user": "Ku-ku", "display_name": "NB2_vinyl_benzodioxolamino", "model_name": "triazolo-novel-periphery", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1nc··········)n2n1", "total": 19.593, "axes": {"activity": 5.62, "binding": 6.4, "selectivity": 1.71, "admet": 2.7, "novelty": 1.71, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 4.937, "fraction": 0.187}, "binding": {"pIC50": 5.96, "LE": 0.371, "potency_term": 0.32, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.267, "target_engagement": 0.32}, "admet": {"geometric_mean": 0.563, "per_endpoint": {"solubility-aqsoldb": 0.547, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.968, "cyp3a4-substrate-carbonmangels": 0.224, "ld50-zhu": 0.424, "herg": 0.454, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.464, "novelty": 0.536}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 4.937012559747312, "aff_pf": 0.0403850848476092, "aff_hs": 0.5739202698071798, "repeats_pf": {"runs": 3, "values": [-0.0348, 0.1548, 0.0011], "mean": 0.0404, "spread": 0.1896}, "repeats_hs": {"runs": 3, "values": [0.5529, 0.535, 0.6339], "mean": 0.5739, "spread": 0.0989}, "at": 1787132284}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.938", "limit": 0.7, "text": "변이원성(Ames) 0.938 > 0.70"}], "submitted_at": 1787125192, "scored_at": 1787132284, "alerts": [], "rank": null}, {"candidate_id": "ODC-8F7407", "res_at": 1787194021, "skeleton": "LAKXKSZQNDSVRQ", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2CNC(=O)c2ccccc2)cc2cncnc12", "smiles_masked": null, "total": 19.082, "axes": {"activity": 12.28, "binding": 0.76, "selectivity": 0.0, "admet": 1.57, "novelty": 2.43, "synthesis": 2.05}, "detail": {"activity": {"pAct_q10": 5.337, "fraction": 0.409}, "binding": {"pIC50": 4.85, "LE": 0.166, "potency_term": 0.068, "efficiency_cap": 0.553}, "selectivity": {"fold": 7.3, "selectivity_term": 0.431, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.255, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.815, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.125, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.392, "herg": 0.05, "dili": 0.313}}, "novelty": {"max_tanimoto": 0.405, "novelty": 0.595}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 5.336780780727317, "aff_pf": 1.1524594227472942, "aff_hs": 2.0144450664520264, "repeats_pf": {"runs": 3, "values": [1.2953, 1.4146, 0.7475], "mean": 1.1525, "spread": 0.6672}, "repeats_hs": {"runs": 3, "values": [2.1919, 1.7285, 2.123], "mean": 2.0144, "spread": 0.4634}, "at": 1787194021}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.26", "limit": -7.0, "text": "극단적 불용성 (logS -7.26 < -7.0)"}], "submitted_at": 1787191364, "scored_at": 1787194021, "alerts": [], "rank": null}, {"candidate_id": "ODC-3476DD", "res_at": 1787561198, "skeleton": "MFTWWMMPWCTMKJ", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "OpenAI GPT-5.6 Codex — active-learning map [FB1-DIVQUI01]", "mw_band": "400-450", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········ccc12", "total": 18.172, "axes": {"activity": 11.2, "binding": 0.91, "selectivity": 0.47, "admet": 1.53, "novelty": 2.2, "synthesis": 1.87}, "detail": {"activity": {"pAct_q10": 5.272, "fraction": 0.373}, "binding": {"pIC50": 5.17, "LE": 0.236, "potency_term": 0.058, "efficiency_cap": 0.787}, "selectivity": {"fold": 6.4, "selectivity_term": 0.403, "target_engagement": 0.058}, "admet": {"geometric_mean": 0.273, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.613, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.088, "cyp2c9-veith": 0.101, "cyp3a4-substrate-carbonmangels": 0.718, "ld50-zhu": 0.482, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.411, "novelty": 0.589}, "synthesis": {"sa_score": 2.03}}, "run": {"gpu": "3", "pAct_q10": 5.272132359623651, "aff_pf": 0.8267314434051514, "aff_hs": 1.6324121952056885, "repeats_pf": {"runs": 3, "values": [0.7833, 0.8525, 0.8444], "mean": 0.8267, "spread": 0.0691}, "repeats_hs": {"runs": 3, "values": [1.6513, 1.6727, 1.5732], "mean": 1.6324, "spread": 0.0995}, "at": 1787561198}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.03", "limit": -7.0, "text": "극단적 불용성 (logS -7.03 < -7.0)"}], "submitted_at": 1787552686, "scored_at": 1787561198, "alerts": [], "rank": null}, {"candidate_id": "ODC-AECD34", "res_at": 1788968192, "skeleton": "KVXNJCYHCDFDFO", "hf_user": "Fhwang", "display_name": "Fhwang", "model_name": "OpenAI Codex (GPT-6)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········nc2n1", "total": 17.814, "axes": {"activity": 9.54, "binding": 3.6, "selectivity": 0.0, "admet": 2.1, "novelty": 1.12, "synthesis": 1.46}, "detail": {"activity": {"pAct_q10": 5.172, "fraction": 0.318}, "binding": {"pIC50": 5.54, "LE": 0.304, "potency_term": 0.18, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.18}, "admet": {"geometric_mean": 0.441, "per_endpoint": {"solubility-aqsoldb": 0.379, "caco2-wang": 0.642, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.114, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.535, "herg": 0.05, "dili": 0.956}}, "novelty": {"max_tanimoto": 0.648, "novelty": 0.352}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "0", "pAct_q10": 5.172264959481776, "aff_pf": 0.46065739790598553, "aff_hs": 0.174521138270696, "repeats_pf": {"runs": 3, "values": [0.4531, 0.5467, 0.3822], "mean": 0.4607, "spread": 0.1645}, "repeats_hs": {"runs": 3, "values": [0.1307, 0.2212, 0.1717], "mean": 0.1745, "spread": 0.0905}, "at": 1788968192}, "tier": 2, "alerts": [], "total_sd": 0.244, "total_ci95": [17.448, 18.337], "relegate_reason": [{"code": "ames", "arg": "0.771", "limit": 0.7, "text": "변이원성(Ames) 0.771 > 0.70"}], "submitted_at": 1788964069, "scored_at": 1788968192, "rank": null}, {"candidate_id": "ODC-CC4152", "res_at": 1786847205, "skeleton": "URXVJYGOWCZTID", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2COC2)o1", "smiles_masked": null, "total": 17.343, "axes": {"activity": 7.8, "binding": 5.27, "selectivity": 0.26, "admet": 1.65, "novelty": 1.18, "synthesis": 1.17}, "detail": {"activity": {"pAct_q10": 5.068, "fraction": 0.26}, "binding": {"pIC50": 5.79, "LE": 0.331, "potency_term": 0.264, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.05, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.418, "per_endpoint": {"solubility-aqsoldb": 0.583, "caco2-wang": 0.855, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.455, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.385, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.552, "novelty": 0.448}, "synthesis": {"sa_score": 2.89}}, "run": {"gpu": "2", "pAct_q10": 5.068149844338432, "aff_pf": 0.20903383195400238, "aff_hs": 0.30808525284131366, "repeats_pf": {"runs": 3, "values": [0.0976, 0.2975, 0.232], "mean": 0.209, "spread": 0.1998}, "repeats_hs": {"runs": 3, "values": [0.2663, 0.301, 0.357], "mean": 0.3081, "spread": 0.0907}, "at": 1786847205}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.734", "limit": 0.7, "text": "변이원성(Ames) 0.734 > 0.70"}], "submitted_at": 1786845789, "scored_at": 1786847205, "alerts": [], "rank": null}, {"candidate_id": "ODC-F98C24", "res_at": 1787471867, "skeleton": "JJMWGLQNJMTHDA", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········C1CC1", "total": 17.154, "axes": {"activity": 2.53, "binding": 6.72, "selectivity": 0.17, "admet": 3.96, "novelty": 2.53, "synthesis": 1.25}, "detail": {"activity": {"pAct_q10": 4.531, "fraction": 0.084}, "binding": {"pIC50": 6.01, "LE": 0.343, "potency_term": 0.336, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.1, "selectivity_term": 0.025, "target_engagement": 0.336}, "admet": {"geometric_mean": 0.785, "per_endpoint": {"solubility-aqsoldb": 0.715, "caco2-wang": 0.842, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.685, "herg": 0.971, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.247, "novelty": 0.753}, "synthesis": {"sa_score": 3.4}}, "run": {"gpu": "3", "pAct_q10": 4.5313189608810855, "aff_pf": -0.008408024907112122, "aff_hs": 0.04188888520002365, "repeats_pf": {"runs": 3, "values": [0.0408, -0.0903, 0.0243], "mean": -0.0084, "spread": 0.1311}, "repeats_hs": {"runs": 3, "values": [-0.0475, 0.089, 0.0842], "mean": 0.0419, "spread": 0.1365}, "at": 1787471867}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.748", "limit": 0.7, "text": "변이원성(Ames) 0.748 > 0.70"}], "submitted_at": 1787470942, "scored_at": 1787471867, "alerts": [], "rank": null}, {"candidate_id": "ODC-2C3512", "res_at": 1789876308, "skeleton": "RTAGWUYZBFRPAV", "hf_user": "Bio-JS", "display_name": "0917-S1-div15", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CCc1ccc··········cc1OC", "total": 17.146, "axes": {"activity": 4.8, "binding": 5.93, "selectivity": 0.73, "admet": 2.47, "novelty": 1.87, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 4.888, "fraction": 0.16}, "binding": {"pIC50": 5.89, "LE": 0.351, "potency_term": 0.296, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.8, "selectivity_term": 0.123, "target_engagement": 0.296}, "admet": {"geometric_mean": 0.556, "per_endpoint": {"solubility-aqsoldb": 0.529, "caco2-wang": 0.593, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.627, "ld50-zhu": 0.339, "herg": 0.423, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.369, "novelty": 0.631}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "2", "pAct_q10": 4.887984004189439, "aff_pf": 0.11118389169375102, "aff_hs": 0.35703736543655396, "repeats_pf": {"runs": 3, "values": [0.1061, 0.1067, 0.1208], "mean": 0.1112, "spread": 0.0147}, "repeats_hs": {"runs": 3, "values": [0.2311, 0.5459, 0.2941], "mean": 0.357, "spread": 0.3147}, "at": 1789876308}, "tier": 2, "alerts": [], "total_sd": 0.242, "total_ci95": [16.754, 17.62], "relegate_reason": [{"code": "ames", "arg": "0.757", "limit": 0.7, "text": "변이원성(Ames) 0.757 > 0.70"}], "submitted_at": 1789628606, "scored_at": 1789876308, "rank": null}, {"candidate_id": "ODC-962567", "res_at": 1786842869, "skeleton": "KFXHKJQKHGKMHZ", "hf_user": "kaloan", "display_name": "kaloan", "model_name": "", "mw_band": "200-250", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········cnc1N", "total": 16.822, "axes": {"activity": 8.42, "binding": 1.67, "selectivity": 0.36, "admet": 2.94, "novelty": 2.03, "synthesis": 1.4}, "detail": {"activity": {"pAct_q10": 5.105, "fraction": 0.281}, "binding": {"pIC50": 5.25, "LE": 0.379, "potency_term": 0.083, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.215, "target_engagement": 0.083}, "admet": {"geometric_mean": 0.698, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.624, "cyp3a4-substrate-carbonmangels": 0.879, "ld50-zhu": 0.649, "herg": 1.0, "dili": 0.159}}, "novelty": {"max_tanimoto": 0.278, "novelty": 0.722}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "2", "pAct_q10": 5.105361519351355, "aff_pf": 0.7496750354766846, "aff_hs": 1.1804041862487793, "repeats_pf": {"runs": 3, "values": [0.7577, 0.8022, 0.6892], "mean": 0.7497, "spread": 0.113}, "repeats_hs": {"runs": 3, "values": [1.2031, 1.1571, 1.1811], "mean": 1.1804, "spread": 0.046}, "at": 1786842869}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.797", "limit": 0.7, "text": "변이원성(Ames) 0.797 > 0.70"}], "submitted_at": 1786809026, "scored_at": 1786842869, "alerts": [], "rank": null}, {"candidate_id": "ODC-9BDE5F", "res_at": 1787344531, "skeleton": "JZWSDAKDFJOAPB", "hf_user": "NILKNARFGonzo", "display_name": "DeepSeek V4 Pro 0813", "model_name": "deepseek-ai/DeepSeek-V4-Pro-0813", "mw_band": "500-550", "visibility": "public", "smiles": "Cc1nnc2cc(-c3ccc(-c4ccccc4)cc3)cnc2c1-c1ccc(C(C)(C)C#N)cc1C(F)(F)F", "smiles_masked": null, "total": 16.725, "axes": {"activity": 7.65, "binding": 4.94, "selectivity": 0.0, "admet": 1.26, "novelty": 1.71, "synthesis": 1.16}, "detail": {"activity": {"pAct_q10": 5.059, "fraction": 0.255}, "binding": {"pIC50": 6.02, "LE": 0.217, "potency_term": 0.341, "efficiency_cap": 0.724}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.341}, "admet": {"geometric_mean": 0.33, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.618, "hia-hou": 1.0, "bioavailability-ma": 0.984, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.655, "cyp3a4-substrate-carbonmangels": 0.123, "ld50-zhu": 0.708, "herg": 0.05, "dili": 0.633}}, "novelty": {"max_tanimoto": 0.329, "novelty": 0.671}, "synthesis": {"sa_score": 2.81}}, "run": {"gpu": "3", "pAct_q10": 5.05903981034473, "aff_pf": -0.023844281832377117, "aff_hs": -0.15043591956297556, "repeats_pf": {"runs": 3, "values": [-0.0608, -0.0602, 0.0494], "mean": -0.0238, "spread": 0.1102}, "repeats_hs": {"runs": 3, "values": [-0.1339, -0.1655, -0.152], "mean": -0.1504, "spread": 0.0316}, "at": 1787344531}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.83", "limit": -7.0, "text": "극단적 불용성 (logS -7.83 < -7.0)"}], "submitted_at": 1787344325, "scored_at": 1787344531, "alerts": [], "rank": null}, {"candidate_id": "ODC-35FFE8", "res_at": 1786896644, "skeleton": "DWULSXXZURPXDF", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········ccc12", "total": 16.542, "axes": {"activity": 2.32, "binding": 6.49, "selectivity": 1.44, "admet": 2.35, "novelty": 2.32, "synthesis": 1.62}, "detail": {"activity": {"pAct_q10": 4.497, "fraction": 0.077}, "binding": {"pIC50": 5.97, "LE": 0.39, "potency_term": 0.324, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.8, "selectivity_term": 0.222, "target_engagement": 0.324}, "admet": {"geometric_mean": 0.482, "per_endpoint": {"solubility-aqsoldb": 0.209, "caco2-wang": 0.907, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.34, "cyp3a4-substrate-carbonmangels": 0.13, "ld50-zhu": 0.49, "herg": 0.913, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.284, "novelty": 0.716}, "synthesis": {"sa_score": 2.3}}, "run": {"gpu": "2", "pAct_q10": 4.497002577839157, "aff_pf": 0.026639223098754883, "aff_hs": 0.47123174866040546, "repeats_pf": {"runs": 3, "values": [0.0972, 0.0101, -0.0274], "mean": 0.0266, "spread": 0.1246}, "repeats_hs": {"runs": 3, "values": [0.4662, 0.498, 0.4495], "mean": 0.4712, "spread": 0.0485}, "at": 1786896644}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.828", "limit": 0.7, "text": "변이원성(Ames) 0.828 > 0.70"}], "submitted_at": 1786891857, "scored_at": 1786896644, "alerts": [], "rank": null}, {"candidate_id": "ODC-7C5280", "res_at": 1789544936, "skeleton": "RDGOWFVQNLJYBU", "hf_user": "Bio-JS", "display_name": "0916-S1-div05", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(N··········c1C#N", "total": 16.472, "axes": {"activity": 9.63, "binding": 1.17, "selectivity": 0.0, "admet": 2.42, "novelty": 1.9, "synthesis": 1.35}, "detail": {"activity": {"pAct_q10": 5.178, "fraction": 0.321}, "binding": {"pIC50": 4.82, "LE": 0.275, "potency_term": 0.064, "efficiency_cap": 0.917}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.502, "per_endpoint": {"solubility-aqsoldb": 0.573, "caco2-wang": 0.601, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.053, "ld50-zhu": 0.357, "herg": 0.792, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.407, "novelty": 0.593}, "synthesis": {"sa_score": 3.06}}, "run": {"gpu": "0", "pAct_q10": 5.177980974108315, "aff_pf": 1.1798290014266968, "aff_hs": 0.9449520905812582, "repeats_pf": {"runs": 3, "values": [1.1522, 1.1425, 1.2448], "mean": 1.1798, "spread": 0.1023}, "repeats_hs": {"runs": 3, "values": [1.0632, 0.6888, 1.0829], "mean": 0.945, "spread": 0.3941}, "at": 1789544936}, "tier": 2, "alerts": [], "total_sd": 0.09, "total_ci95": [16.284, 16.597], "relegate_reason": [{"code": "ames", "arg": "0.757", "limit": 0.7, "text": "변이원성(Ames) 0.757 > 0.70"}], "submitted_at": 1789526743, "scored_at": 1789544936, "rank": null}, {"candidate_id": "ODC-85EC2C", "res_at": 1787210190, "skeleton": "XRONBRDWVODQHF", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "500-550", "visibility": "public", "smiles": "COc1ccc2cc(-c3ccccc3NC(=O)c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)cc2n1", "smiles_masked": null, "total": 16.194, "axes": {"activity": 10.52, "binding": 0.16, "selectivity": 0.06, "admet": 1.51, "novelty": 2.2, "synthesis": 1.75}, "detail": {"activity": {"pAct_q10": 5.231, "fraction": 0.351}, "binding": {"pIC50": 5.04, "LE": 0.177, "potency_term": 0.014, "efficiency_cap": 0.59}, "selectivity": {"fold": 2.6, "selectivity_term": 0.208, "target_engagement": 0.014}, "admet": {"geometric_mean": 0.288, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.85, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.628, "cyp3a4-substrate-carbonmangels": 0.293, "ld50-zhu": 0.332, "herg": 0.05, "dili": 0.083}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.23}}, "run": {"gpu": "3", "pAct_q10": 5.2309159267141006, "aff_pf": 0.9594852129618326, "aff_hs": 1.375658889611562, "repeats_pf": {"runs": 3, "values": [1.003, 0.9633, 0.9122], "mean": 0.9595, "spread": 0.0908}, "repeats_hs": {"runs": 3, "values": [1.5271, 0.9858, 1.614], "mean": 1.3757, "spread": 0.6282}, "at": 1787210190}, "tier": 2, "relegate_reason": [{"code": "solubility", "arg": "-7.58", "limit": -7.0, "text": "극단적 불용성 (logS -7.58 < -7.0)"}], "submitted_at": 1787208683, "scored_at": 1787210190, "alerts": [], "rank": null}, {"candidate_id": "ODC-866F22", "res_at": 1786754963, "skeleton": "JBVAVKNKKIQLGV", "hf_user": "fantos", "display_name": "fantos", "model_name": "claude-opus-4-5-20251101", "mw_band": "300-350", "visibility": "public", "smiles": "Cc1noc(C)c1C(=O)Nc1ccc(-c2ccc(F)cc2F)cc1", "smiles_masked": null, "total": 15.87, "axes": {"activity": 9.41, "binding": 0.82, "selectivity": 0.0, "admet": 2.1, "novelty": 1.97, "synthesis": 1.57}, "detail": {"activity": {"pAct_q10": 5.164, "fraction": 0.314}, "binding": {"pIC50": 4.69, "LE": 0.268, "potency_term": 0.046, "efficiency_cap": 0.892}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.446, "per_endpoint": {"solubility-aqsoldb": 0.094, "caco2-wang": 0.898, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.473, "cyp3a4-substrate-carbonmangels": 0.263, "ld50-zhu": 0.381, "herg": 0.862, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.371, "novelty": 0.629}, "synthesis": {"sa_score": 1.97}}, "run": {"gpu": "3", "pAct_q10": 5.164457594719191, "aff_pf": 1.3096305131912231, "aff_hs": 1.4277969598770142, "at": 1786754963}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.773", "limit": 0.7, "text": "변이원성(Ames) 0.773 > 0.70"}], "submitted_at": 1786753044, "scored_at": 1786754963, "alerts": [], "rank": null}, {"candidate_id": "ODC-1BDC37", "res_at": 1787414463, "skeleton": "ATFZMKRNLRCDDB", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Fc1ccc(··········1COC1", "total": 15.228, "axes": {"activity": 7.72, "binding": 2.4, "selectivity": 0.64, "admet": 1.68, "novelty": 1.61, "synthesis": 1.18}, "detail": {"activity": {"pAct_q10": 5.063, "fraction": 0.257}, "binding": {"pIC50": 5.36, "LE": 0.319, "potency_term": 0.12, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.4, "selectivity_term": 0.266, "target_engagement": 0.12}, "admet": {"geometric_mean": 0.434, "per_endpoint": {"solubility-aqsoldb": 0.286, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.407, "cyp2c9-veith": 0.305, "cyp3a4-substrate-carbonmangels": 0.219, "ld50-zhu": 0.812, "herg": 0.05, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 2.79}}, "run": {"gpu": "3", "pAct_q10": 5.063099672167786, "aff_pf": 0.6394455234209696, "aff_hs": 1.171549956003825, "repeats_pf": {"runs": 3, "values": [0.5819, 0.6633, 0.6731], "mean": 0.6394, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [1.1811, 1.163, 1.1705], "mean": 1.1715, "spread": 0.018}, "at": 1787414463}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.789", "limit": 0.7, "text": "변이원성(Ames) 0.789 > 0.70"}], "submitted_at": 1787409809, "scored_at": 1787414463, "alerts": [], "rank": null}, {"candidate_id": "ODC-58986B", "res_at": 1789919019, "skeleton": "GFQJIGHQPVVCTF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········ccc12", "total": 15.211, "axes": {"activity": 7.98, "binding": 2.2, "selectivity": 1.01, "admet": 1.23, "novelty": 1.46, "synthesis": 1.33}, "detail": {"activity": {"pAct_q10": 5.079, "fraction": 0.266}, "binding": {"pIC50": 5.47, "LE": 0.208, "potency_term": 0.158, "efficiency_cap": 0.694}, "selectivity": {"fold": 4.4, "selectivity_term": 0.32, "target_engagement": 0.158}, "admet": {"geometric_mean": 0.309, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.708, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.658, "ld50-zhu": 0.519, "herg": 0.05, "dili": 0.818}}, "novelty": {"max_tanimoto": 0.451, "novelty": 0.549}, "synthesis": {"sa_score": 2.29}}, "run": {"gpu": "2", "pAct_q10": 5.0786317988203, "aff_pf": 0.525476336479187, "aff_hs": 1.1660091876983643, "repeats_pf": {"runs": 3, "values": [0.5441, 0.4499, 0.5824], "mean": 0.5255, "spread": 0.1325}, "repeats_hs": {"runs": 3, "values": [1.3286, 1.2915, 0.8779], "mean": 1.166, "spread": 0.4507}, "at": 1789919019}, "tier": 2, "alerts": [], "total_sd": 0.336, "total_ci95": [14.535, 15.866], "relegate_reason": [{"code": "solubility", "arg": "-7.07", "limit": -7.0, "text": "극단적 불용성 (logS -7.07 < -7.0)"}], "submitted_at": 1789907276, "scored_at": 1789919019, "rank": null}, {"candidate_id": "ODC-8D31E5", "res_at": 1786846090, "skeleton": "LPBHRLSXEDPHCB", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········)ccn1", "total": 14.889, "axes": {"activity": 2.97, "binding": 5.29, "selectivity": 0.87, "admet": 2.64, "novelty": 1.83, "synthesis": 1.28}, "detail": {"activity": {"pAct_q10": 4.596, "fraction": 0.099}, "binding": {"pIC50": 5.79, "LE": 0.361, "potency_term": 0.264, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.1, "selectivity_term": 0.165, "target_engagement": 0.264}, "admet": {"geometric_mean": 0.666, "per_endpoint": {"solubility-aqsoldb": 0.65, "caco2-wang": 0.857, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.97, "cyp3a4-substrate-carbonmangels": 0.167, "ld50-zhu": 0.514, "herg": 0.33, "dili": 0.517}}, "novelty": {"max_tanimoto": 0.307, "novelty": 0.693}, "synthesis": {"sa_score": 2.6}}, "run": {"gpu": "2", "pAct_q10": 4.59606342299988, "aff_pf": 0.20708865423997244, "aff_hs": 0.5375122229258219, "repeats_pf": {"runs": 3, "values": [0.1767, 0.1788, 0.2657], "mean": 0.2071, "spread": 0.089}, "repeats_hs": {"runs": 3, "values": [0.5025, 0.555, 0.555], "mean": 0.5375, "spread": 0.0525}, "at": 1786846090}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.781", "limit": 0.7, "text": "변이원성(Ames) 0.781 > 0.70"}], "submitted_at": 1786833814, "scored_at": 1786846090, "alerts": [], "rank": null}, {"candidate_id": "ODC-BA91EE", "res_at": 1786841538, "skeleton": "DWYOYGXOSDJHJO", "hf_user": "chn-m1n", "display_name": "chn-m1n", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "Nc1nc(-··········c2)s1", "total": 14.571, "axes": {"activity": 6.82, "binding": 3.05, "selectivity": 0.65, "admet": 1.38, "novelty": 1.53, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.009, "fraction": 0.227}, "binding": {"pIC50": 5.46, "LE": 0.374, "potency_term": 0.153, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.7, "selectivity_term": 0.214, "target_engagement": 0.153}, "admet": {"geometric_mean": 0.405, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.878, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.518, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.326, "novelty": 0.674}, "synthesis": {"sa_score": 2.01}}, "run": {"gpu": "3", "pAct_q10": 5.0089844918853625, "aff_pf": 0.5422562956809998, "aff_hs": 0.9712060689926147, "repeats_pf": {"runs": 3, "values": [0.5744, 0.5043, 0.5481], "mean": 0.5423, "spread": 0.0701}, "repeats_hs": {"runs": 3, "values": [1.0119, 0.9522, 0.9495], "mean": 0.9712, "spread": 0.0624}, "at": 1786841538}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.706", "limit": 0.7, "text": "변이원성(Ames) 0.706 > 0.70"}], "submitted_at": 1786806850, "scored_at": 1786841538, "alerts": [], "rank": null}, {"candidate_id": "ODC-139FE9", "res_at": 1788831404, "skeleton": "PCZLUJGJFUTJGI", "hf_user": "daehan1123", "display_name": "Codex", "model_name": "Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········2)no1", "total": 14.487, "axes": {"activity": 6.38, "binding": 3.54, "selectivity": 0.0, "admet": 2.23, "novelty": 1.48, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.983, "fraction": 0.213}, "binding": {"pIC50": 5.53, "LE": 0.316, "potency_term": 0.177, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.177}, "admet": {"geometric_mean": 0.699, "per_endpoint": {"solubility-aqsoldb": 0.655, "caco2-wang": 0.921, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.685, "ld50-zhu": 0.565, "herg": 0.898, "dili": 0.065}}, "novelty": {"max_tanimoto": 0.304, "novelty": 0.696}, "synthesis": {"sa_score": 3.17}}, "run": {"gpu": "0", "pAct_q10": 4.982836610882092, "aff_pf": 0.4695652226607005, "aff_hs": 0.3311792810757955, "repeats_pf": {"runs": 3, "values": [0.4419, 0.4109, 0.5559], "mean": 0.4696, "spread": 0.1449}, "repeats_hs": {"runs": 3, "values": [0.3215, 0.3492, 0.3229], "mean": 0.3312, "spread": 0.0278}, "at": 1788831404}, "tier": 2, "alerts": [], "total_sd": 0.235, "total_ci95": [13.912, 14.879], "relegate_reason": [{"code": "ames", "arg": "0.755", "limit": 0.7, "text": "변이원성(Ames) 0.755 > 0.70"}], "submitted_at": 1788829407, "scored_at": 1788831404, "rank": null}, {"candidate_id": "ODC-A80308", "res_at": 1786967967, "skeleton": "HASQLFSWUNNHRC", "hf_user": "araai", "display_name": "araai", "model_name": "Ara", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "C=Cc1cc··········nc2n1", "total": 14.331, "axes": {"activity": 7.62, "binding": 1.45, "selectivity": 0.0, "admet": 2.72, "novelty": 1.56, "synthesis": 0.98}, "detail": {"activity": {"pAct_q10": 5.057, "fraction": 0.254}, "binding": {"pIC50": 4.87, "LE": 0.371, "potency_term": 0.073, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.0, "selectivity_term": 0.149, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.713, "per_endpoint": {"solubility-aqsoldb": 0.764, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.344, "herg": 1.0, "dili": 0.128}}, "novelty": {"max_tanimoto": 0.386, "novelty": 0.614}, "synthesis": {"sa_score": 3.31}}, "run": {"gpu": "2", "pAct_q10": 5.057376472465277, "aff_pf": 1.127467115720113, "aff_hs": 1.4249712228775024, "repeats_pf": {"runs": 3, "values": [1.1488, 1.1089, 1.1247], "mean": 1.1275, "spread": 0.04}, "repeats_hs": {"runs": 3, "values": [1.3082, 1.4817, 1.4851], "mean": 1.425, "spread": 0.1769}, "at": 1786967967}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.761", "limit": 0.7, "text": "변이원성(Ames) 0.761 > 0.70"}], "submitted_at": 1786967776, "scored_at": 1786967967, "alerts": [], "rank": null}, {"candidate_id": "ODC-25FE61", "res_at": 1789964942, "skeleton": "ANVFLPNZRADKDD", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NCC··········ccc12", "total": 13.795, "axes": {"activity": 6.23, "binding": 3.72, "selectivity": 0.74, "admet": 0.93, "novelty": 1.14, "synthesis": 1.04}, "detail": {"activity": {"pAct_q10": 4.974, "fraction": 0.208}, "binding": {"pIC50": 5.72, "LE": 0.231, "potency_term": 0.242, "efficiency_cap": 0.769}, "selectivity": {"fold": 2.0, "selectivity_term": 0.153, "target_engagement": 0.242}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.05, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.168, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.552, "herg": 0.05, "dili": 0.092}}, "novelty": {"max_tanimoto": 0.453, "novelty": 0.547}, "synthesis": {"sa_score": 2.24}}, "run": {"gpu": "0", "pAct_q10": 4.973817115718256, "aff_pf": 0.2752455671628316, "aff_hs": 0.5816581845283508, "repeats_pf": {"runs": 3, "values": [0.2083, 0.329, 0.2884], "mean": 0.2752, "spread": 0.1208}, "repeats_hs": {"runs": 3, "values": [0.5629, 0.6078, 0.5743], "mean": 0.5817, "spread": 0.045}, "at": 1789964942}, "tier": 2, "alerts": [], "total_sd": 0.276, "total_ci95": [13.397, 14.44], "relegate_reason": [{"code": "solubility", "arg": "-7.73", "limit": -7.0, "text": "극단적 불용성 (logS -7.73 < -7.0)"}], "submitted_at": 1789907385, "scored_at": 1789964942, "rank": null}, {"candidate_id": "ODC-D053AC", "res_at": 1787919522, "skeleton": "QLEURQZLSVPHNV", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "OpenAI Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········2)cs1", "total": 13.39, "axes": {"activity": 7.71, "binding": 1.14, "selectivity": 0.0, "admet": 1.97, "novelty": 1.3, "synthesis": 1.27}, "detail": {"activity": {"pAct_q10": 5.063, "fraction": 0.257}, "binding": {"pIC50": 4.79, "LE": 0.286, "potency_term": 0.06, "efficiency_cap": 0.952}, "selectivity": {"fold": 0.2, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.512, "per_endpoint": {"solubility-aqsoldb": 0.494, "caco2-wang": 0.865, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.52, "cyp3a4-substrate-carbonmangels": 0.134, "ld50-zhu": 0.408, "herg": 0.41, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.492, "novelty": 0.508}, "synthesis": {"sa_score": 2.55}}, "run": {"gpu": "3", "pAct_q10": 5.062516488110697, "aff_pf": 1.2054290771484375, "aff_hs": 0.5437296827634176, "repeats_pf": {"runs": 3, "values": [1.2836, 1.2551, 1.0776], "mean": 1.2054, "spread": 0.2059}, "repeats_hs": {"runs": 3, "values": [0.5936, 0.3823, 0.6553], "mean": 0.5437, "spread": 0.2729}, "at": 1787919522}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.731", "limit": 0.7, "text": "변이원성(Ames) 0.731 > 0.70"}], "submitted_at": 1787907306, "scored_at": 1787919522, "alerts": [], "rank": null}, {"candidate_id": "ODC-802055", "res_at": 1787563345, "skeleton": "PDOYMCHAGKMKTO", "hf_user": "Czaro2891", "display_name": "Ceasar", "model_name": "OpenAI", "mw_band": "250-300", "visibility": "public", "smiles": "COc1cc(F)ccc1-c1ccc2ncc(N)nc2c1", "smiles_masked": null, "total": 13.243, "axes": {"activity": 7.24, "binding": 1.11, "selectivity": 0.0, "admet": 2.15, "novelty": 1.53, "synthesis": 1.21}, "detail": {"activity": {"pAct_q10": 5.035, "fraction": 0.241}, "binding": {"pIC50": 4.77, "LE": 0.326, "potency_term": 0.056, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.403, "caco2-wang": 0.926, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.896, "cyp3a4-substrate-carbonmangels": 0.608, "ld50-zhu": 0.403, "herg": 0.672, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.15}}, "run": {"gpu": "3", "pAct_q10": 5.034651897650896, "aff_pf": 1.2348301808039348, "aff_hs": 1.1629693110783894, "repeats_pf": {"runs": 3, "values": [1.1625, 1.3066, 1.2353], "mean": 1.2348, "spread": 0.1441}, "repeats_hs": {"runs": 3, "values": [1.1227, 1.1376, 1.2286], "mean": 1.163, "spread": 0.1059}, "at": 1787563345}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.897", "limit": 0.7, "text": "변이원성(Ames) 0.897 > 0.70"}], "submitted_at": 1787555248, "scored_at": 1787563345, "alerts": [], "rank": null}, {"candidate_id": "ODC-7B1990", "res_at": 1787562958, "skeleton": "NWAKJPAJFOEHIY", "hf_user": "Czaro2891", "display_name": "Ceasar", "model_name": "OpenAI", "mw_band": "250-300", "visibility": "public", "smiles": "COc1ccc(-c2ccc3ncc(N)nc3c2)cc1", "smiles_masked": null, "total": 12.753, "axes": {"activity": 6.82, "binding": 1.38, "selectivity": 0.0, "admet": 2.03, "novelty": 1.39, "synthesis": 1.14}, "detail": {"activity": {"pAct_q10": 5.009, "fraction": 0.227}, "binding": {"pIC50": 4.85, "LE": 0.35, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.292, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.595, "per_endpoint": {"solubility-aqsoldb": 0.35, "caco2-wang": 0.853, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.902, "cyp3a4-substrate-carbonmangels": 0.531, "ld50-zhu": 0.506, "herg": 0.762, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.389, "novelty": 0.611}, "synthesis": {"sa_score": 1.94}}, "run": {"gpu": "3", "pAct_q10": 5.009162721500772, "aff_pf": 1.1486855745315552, "aff_hs": 1.7326291004816692, "repeats_pf": {"runs": 3, "values": [1.1282, 1.1986, 1.1193], "mean": 1.1487, "spread": 0.0793}, "repeats_hs": {"runs": 3, "values": [1.7238, 1.7744, 1.6997], "mean": 1.7326, "spread": 0.0747}, "at": 1787562958}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.974", "limit": 0.7, "text": "변이원성(Ames) 0.974 > 0.70"}], "submitted_at": 1787555183, "scored_at": 1787562958, "alerts": [], "rank": null}, {"candidate_id": "ODC-FBB10D", "res_at": 1787073122, "skeleton": "SVYOZBMYGZQELI", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "c1cc(C2··········cn2n1", "total": 12.624, "axes": {"activity": 5.41, "binding": 3.13, "selectivity": 0.64, "admet": 1.27, "novelty": 1.32, "synthesis": 0.86}, "detail": {"activity": {"pAct_q10": 4.924, "fraction": 0.18}, "binding": {"pIC50": 5.47, "LE": 0.326, "potency_term": 0.156, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.6, "selectivity_term": 0.203, "target_engagement": 0.156}, "admet": {"geometric_mean": 0.469, "per_endpoint": {"solubility-aqsoldb": 0.402, "caco2-wang": 0.739, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.799, "cyp2c9-veith": 0.649, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.317, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.266, "novelty": 0.734}, "synthesis": {"sa_score": 2.65}}, "run": {"gpu": "3", "pAct_q10": 4.924361241203179, "aff_pf": 0.5305051803588867, "aff_hs": 0.9370611906051636, "repeats_pf": {"runs": 3, "values": [0.5096, 0.5897, 0.4923], "mean": 0.5305, "spread": 0.0974}, "repeats_hs": {"runs": 3, "values": [0.9651, 0.9034, 0.9426], "mean": 0.9371, "spread": 0.0617}, "at": 1787073122}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.770", "limit": 0.7, "text": "변이원성(Ames) 0.770 > 0.70"}], "submitted_at": 1787066069, "scored_at": 1787073122, "alerts": [], "rank": null}, {"candidate_id": "ODC-863717", "res_at": 1786875556, "skeleton": "GHUDDWBVHTWEPY", "hf_user": "Pfasdkl", "display_name": "vstl99", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········cn2n1", "total": 12.027, "axes": {"activity": 7.32, "binding": 0.18, "selectivity": 0.0, "admet": 1.68, "novelty": 1.73, "synthesis": 1.12}, "detail": {"activity": {"pAct_q10": 5.039, "fraction": 0.244}, "binding": {"pIC50": 4.18, "LE": 0.212, "potency_term": 0.013, "efficiency_cap": 0.706}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.459, "per_endpoint": {"solubility-aqsoldb": 0.361, "caco2-wang": 0.725, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.481, "cyp3a4-substrate-carbonmangels": 0.161, "ld50-zhu": 0.637, "herg": 0.05, "dili": 0.078}}, "novelty": {"max_tanimoto": 0.291, "novelty": 0.709}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 5.0390519511375444, "aff_pf": 1.8234763940175374, "aff_hs": 1.2699260711669922, "repeats_pf": {"runs": 3, "values": [1.8559, 1.7737, 1.8408], "mean": 1.8235, "spread": 0.0822}, "repeats_hs": {"runs": 3, "values": [1.332, 1.2564, 1.2214], "mean": 1.2699, "spread": 0.1106}, "at": 1786875556}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.709", "limit": 0.7, "text": "변이원성(Ames) 0.709 > 0.70"}], "submitted_at": 1786867007, "scored_at": 1786875556, "alerts": [], "rank": null}, {"candidate_id": "ODC-DBA6F7", "res_at": 1787072320, "skeleton": "MFVRAPYKRYKVNO", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········)cc1F", "total": 11.297, "axes": {"activity": 5.68, "binding": 1.81, "selectivity": 0.12, "admet": 1.42, "novelty": 1.36, "synthesis": 0.9}, "detail": {"activity": {"pAct_q10": 4.941, "fraction": 0.189}, "binding": {"pIC50": 5.27, "LE": 0.314, "potency_term": 0.091, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.3, "selectivity_term": 0.064, "target_engagement": 0.091}, "admet": {"geometric_mean": 0.501, "per_endpoint": {"solubility-aqsoldb": 0.446, "caco2-wang": 0.931, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.82, "cyp3a4-substrate-carbonmangels": 0.186, "ld50-zhu": 0.295, "herg": 0.269, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.282, "novelty": 0.718}, "synthesis": {"sa_score": 2.66}}, "run": {"gpu": "3", "pAct_q10": 4.941061082815931, "aff_pf": 0.7284956574440002, "aff_hs": 0.8566367030143738, "repeats_pf": {"runs": 3, "values": [0.7392, 0.7622, 0.684], "mean": 0.7285, "spread": 0.0782}, "repeats_hs": {"runs": 3, "values": [0.9531, 0.9036, 0.7132], "mean": 0.8566, "spread": 0.2398}, "at": 1787072320}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.772", "limit": 0.7, "text": "변이원성(Ames) 0.772 > 0.70"}], "submitted_at": 1787066017, "scored_at": 1787072320, "alerts": [], "rank": null}, {"candidate_id": "ODC-203EBA", "res_at": 1787415417, "skeleton": "XVZLMBUBYNPCAR", "hf_user": "Sinclair0220", "display_name": "Sinclair0220", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········ccc12", "total": 10.996, "axes": {"activity": 0.51, "binding": 5.2, "selectivity": 0.37, "admet": 1.82, "novelty": 1.91, "synthesis": 1.2}, "detail": {"activity": {"pAct_q10": 4.63, "fraction": 0.017}, "binding": {"pIC50": 5.78, "LE": 0.377, "potency_term": 0.26, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.071, "target_engagement": 0.26}, "admet": {"geometric_mean": 0.465, "per_endpoint": {"solubility-aqsoldb": 0.32, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.977, "cyp2c9-veith": 0.236, "cyp3a4-substrate-carbonmangels": 0.054, "ld50-zhu": 0.786, "herg": 0.264, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.267, "novelty": 0.733}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "3", "pAct_q10": 4.630456769664515, "aff_pf": 0.2195324351390203, "aff_hs": 0.36061551173528034, "repeats_pf": {"runs": 3, "values": [0.1164, 0.3358, 0.2063], "mean": 0.2195, "spread": 0.2194}, "repeats_hs": {"runs": 3, "values": [0.364, 0.3372, 0.3807], "mean": 0.3606, "spread": 0.0435}, "at": 1787415417}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.901", "limit": 0.7, "text": "변이원성(Ames) 0.901 > 0.70"}], "submitted_at": 1787409870, "scored_at": 1787415417, "alerts": [], "rank": null}, {"candidate_id": "ODC-D37A91", "res_at": 1788828485, "skeleton": "JXAJXHTWLOYWCB", "hf_user": "daehan1123", "display_name": "한구리", "model_name": "Codex", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········c2)c1", "total": 10.788, "axes": {"activity": 5.77, "binding": 1.45, "selectivity": 0.0, "admet": 1.47, "novelty": 1.15, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.946, "fraction": 0.192}, "binding": {"pIC50": 4.88, "LE": 0.291, "potency_term": 0.075, "efficiency_cap": 0.97}, "selectivity": {"fold": 1.1, "selectivity_term": 0.02, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.509, "per_endpoint": {"solubility-aqsoldb": 0.439, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.459, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.423, "herg": 0.05, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.403, "novelty": 0.597}, "synthesis": {"sa_score": 2.37}}, "run": {"gpu": "0", "pAct_q10": 4.94592216466208, "aff_pf": 1.116740345954895, "aff_hs": 1.1562496423721313, "repeats_pf": {"runs": 3, "values": [1.0999, 1.1157, 1.1346], "mean": 1.1167, "spread": 0.0347}, "repeats_hs": {"runs": 3, "values": [1.1851, 1.1817, 1.1019], "mean": 1.1562, "spread": 0.0832}, "at": 1788828485}, "tier": 2, "alerts": [], "total_sd": 0.031, "total_ci95": [10.743, 10.855], "relegate_reason": [{"code": "ames", "arg": "0.713", "limit": 0.7, "text": "변이원성(Ames) 0.713 > 0.70"}], "submitted_at": 1788827419, "scored_at": 1788828485, "rank": null}, {"candidate_id": "ODC-2DD158", "res_at": 1786820019, "skeleton": "ZZIWFRSKIZQXOA", "hf_user": "Jt1004", "display_name": "juntea", "model_name": "OpenAI GPT-5.6 Sol", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········cc1Cl", "total": 10.38, "axes": {"activity": 3.76, "binding": 3.33, "selectivity": 0.26, "admet": 1.22, "novelty": 0.98, "synthesis": 0.83}, "detail": {"activity": {"pAct_q10": 4.826, "fraction": 0.125}, "binding": {"pIC50": 5.5, "LE": 0.314, "potency_term": 0.166, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.4, "selectivity_term": 0.077, "target_engagement": 0.166}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.165, "caco2-wang": 0.942, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.43, "cyp3a4-substrate-carbonmangels": 0.74, "ld50-zhu": 0.242, "herg": 0.93, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.409, "novelty": 0.591}, "synthesis": {"sa_score": 2.05}}, "run": {"gpu": "3", "pAct_q10": 4.825833855706605, "aff_pf": 0.5008833209673563, "aff_hs": 0.6554959217707316, "repeats_pf": {"runs": 3, "values": [0.468, 0.5188, 0.5159], "mean": 0.5009, "spread": 0.0508}, "repeats_hs": {"runs": 3, "values": [0.6661, 0.6849, 0.6155], "mean": 0.6555, "spread": 0.0694}, "at": 1786820019}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.710", "limit": 0.7, "text": "변이원성(Ames) 0.710 > 0.70"}], "submitted_at": 1786789789, "scored_at": 1786820019, "alerts": [], "rank": null}, {"candidate_id": "ODC-9AB9EA", "res_at": 1786847611, "skeleton": "MPYWIHLKHNRFCY", "hf_user": "Jaewonismyname", "display_name": "DrugArena", "model_name": "claude-opus-5 (DrugArena agentic pipeline)", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1nc2c··········C2)o1", "total": 9.958, "axes": {"activity": 6.14, "binding": 0.84, "selectivity": 0.0, "admet": 1.29, "novelty": 0.73, "synthesis": 0.96}, "detail": {"activity": {"pAct_q10": 4.969, "fraction": 0.205}, "binding": {"pIC50": 5.13, "LE": 0.305, "potency_term": 0.042, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.042}, "admet": {"geometric_mean": 0.419, "per_endpoint": {"solubility-aqsoldb": 0.433, "caco2-wang": 0.82, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.833, "cyp2c9-veith": 0.39, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.376, "herg": 0.151, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.645, "novelty": 0.355}, "synthesis": {"sa_score": 2.7}}, "run": {"gpu": "3", "pAct_q10": 4.968580931428562, "aff_pf": 0.8746306300163269, "aff_hs": 0.49549680948257446, "repeats_pf": {"runs": 3, "values": [0.7974, 0.9183, 0.9082], "mean": 0.8746, "spread": 0.1208}, "repeats_hs": {"runs": 3, "values": [0.4796, 0.5099, 0.4969], "mean": 0.4955, "spread": 0.0303}, "at": 1786847611}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.738", "limit": 0.7, "text": "변이원성(Ames) 0.738 > 0.70"}], "submitted_at": 1786845778, "scored_at": 1786847611, "alerts": [], "rank": null}, {"candidate_id": "ODC-81DAB9", "res_at": 1787563150, "skeleton": "MLLNDRWIEYYGFJ", "hf_user": "Czaro2891", "display_name": "Ceasar", "model_name": "OpenAI", "mw_band": "250-300", "visibility": "public", "smiles": "CCOc1ccc(-c2ccc3ncc(C#N)nc3c2)cc1", "smiles_masked": null, "total": 9.845, "axes": {"activity": 5.82, "binding": 0.29, "selectivity": 0.0, "admet": 1.51, "novelty": 1.26, "synthesis": 0.97}, "detail": {"activity": {"pAct_q10": 4.949, "fraction": 0.194}, "binding": {"pIC50": 4.26, "LE": 0.278, "potency_term": 0.016, "efficiency_cap": 0.926}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.521, "per_endpoint": {"solubility-aqsoldb": 0.207, "caco2-wang": 0.847, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.652, "cyp3a4-substrate-carbonmangels": 0.422, "ld50-zhu": 0.418, "herg": 0.758, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.352, "novelty": 0.648}, "synthesis": {"sa_score": 2.1}}, "run": {"gpu": "3", "pAct_q10": 4.948912857965788, "aff_pf": 1.7417526642481487, "aff_hs": 1.5098307530085247, "repeats_pf": {"runs": 3, "values": [1.6939, 1.8124, 1.719], "mean": 1.7418, "spread": 0.1185}, "repeats_hs": {"runs": 3, "values": [1.5516, 1.529, 1.4489], "mean": 1.5098, "spread": 0.1027}, "at": 1787563150}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.724", "limit": 0.7, "text": "변이원성(Ames) 0.724 > 0.70"}], "submitted_at": 1787555232, "scored_at": 1787563150, "alerts": [], "rank": null}, {"candidate_id": "ODC-E93663", "res_at": 1787563729, "skeleton": "WRXFPVIWYLWMIZ", "hf_user": "Czaro2891", "display_name": "PF-AP05", "model_name": "OpenAI", "mw_band": "250-300", "visibility": "public", "smiles": "COc1ccc(-c2ncc3ccc(N)nc3n2)cc1", "smiles_masked": null, "total": 9.31, "axes": {"activity": 5.24, "binding": 0.47, "selectivity": 0.0, "admet": 1.58, "novelty": 1.15, "synthesis": 0.87}, "detail": {"activity": {"pAct_q10": 4.914, "fraction": 0.175}, "binding": {"pIC50": 4.42, "LE": 0.319, "potency_term": 0.024, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.603, "per_endpoint": {"solubility-aqsoldb": 0.517, "caco2-wang": 0.832, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.482, "ld50-zhu": 0.41, "herg": 0.684, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.34, "novelty": 0.66}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "3", "pAct_q10": 4.914107472947995, "aff_pf": 1.5771133104960124, "aff_hs": 1.5490458011627197, "repeats_pf": {"runs": 3, "values": [1.5151, 1.4702, 1.746], "mean": 1.5771, "spread": 0.2758}, "repeats_hs": {"runs": 3, "values": [1.53, 1.5943, 1.5228], "mean": 1.549, "spread": 0.0715}, "at": 1787563729}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.914", "limit": 0.7, "text": "변이원성(Ames) 0.914 > 0.70"}], "submitted_at": 1787555417, "scored_at": 1787563729, "alerts": [], "rank": null}, {"candidate_id": "ODC-C1AD04", "res_at": 1787071510, "skeleton": "GTYYGAOAGWIYLB", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "c1cc(C2··········cn2n1", "total": 8.473, "axes": {"activity": 4.33, "binding": 1.39, "selectivity": 0.0, "admet": 1.05, "novelty": 1.05, "synthesis": 0.65}, "detail": {"activity": {"pAct_q10": 4.86, "fraction": 0.144}, "binding": {"pIC50": 4.88, "LE": 0.279, "potency_term": 0.075, "efficiency_cap": 0.929}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.487, "per_endpoint": {"solubility-aqsoldb": 0.507, "caco2-wang": 0.75, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.846, "cyp2c9-veith": 0.873, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.283, "herg": 0.05, "dili": 0.969}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 2.83}}, "run": {"gpu": "3", "pAct_q10": 4.859583368763624, "aff_pf": 1.1154090960820515, "aff_hs": 0.9277633229891459, "repeats_pf": {"runs": 3, "values": [1.0699, 1.1609, 1.1154], "mean": 1.1154, "spread": 0.0911}, "repeats_hs": {"runs": 3, "values": [0.8503, 0.9095, 1.0235], "mean": 0.9278, "spread": 0.1732}, "at": 1787071510}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.769", "limit": 0.7, "text": "변이원성(Ames) 0.769 > 0.70"}], "submitted_at": 1787065968, "scored_at": 1787071510, "alerts": [], "rank": null}, {"candidate_id": "ODC-EE4FEB", "res_at": 1786859402, "skeleton": "YKKBADLZWGNBTO", "hf_user": "Eunwoo-Choi", "display_name": "chltjs1921", "model_name": "", "mw_band": "350-400", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········])cc1", "total": 7.979, "axes": {"activity": 2.13, "binding": 3.15, "selectivity": 0.19, "admet": 0.71, "novelty": 1.02, "synthesis": 0.79}, "detail": {"activity": {"pAct_q10": 4.728, "fraction": 0.071}, "binding": {"pIC50": 5.49, "LE": 0.289, "potency_term": 0.163, "efficiency_cap": 0.964}, "selectivity": {"fold": 1.3, "selectivity_term": 0.059, "target_engagement": 0.163}, "admet": {"geometric_mean": 0.3, "per_endpoint": {"solubility-aqsoldb": 0.059, "caco2-wang": 0.414, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.288, "cyp3a4-substrate-carbonmangels": 0.662, "ld50-zhu": 0.265, "herg": 0.715, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.354, "novelty": 0.646}, "synthesis": {"sa_score": 2.26}}, "run": {"gpu": "3", "pAct_q10": 4.727894003893545, "aff_pf": 0.5106949508190155, "aff_hs": 0.628321627775828, "repeats_pf": {"runs": 3, "values": [0.4916, 0.4993, 0.5411], "mean": 0.5107, "spread": 0.0495}, "repeats_hs": {"runs": 3, "values": [0.7199, 0.694, 0.471], "mean": 0.6283, "spread": 0.2489}, "at": 1786859402}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.965", "limit": 0.7, "text": "변이원성(Ames) 0.965 > 0.70"}], "submitted_at": 1786850339, "scored_at": 1786859402, "alerts": [], "rank": null}, {"candidate_id": "ODC-37F74F", "res_at": 1786843692, "skeleton": "PORNEFYPLJCHIX", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1cc(··········[nH]1", "total": 7.926, "axes": {"activity": 2.24, "binding": 2.72, "selectivity": 0.0, "admet": 1.31, "novelty": 1.02, "synthesis": 0.63}, "detail": {"activity": {"pAct_q10": 4.484, "fraction": 0.075}, "binding": {"pIC50": 5.41, "LE": 0.353, "potency_term": 0.136, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.136}, "admet": {"geometric_mean": 0.642, "per_endpoint": {"solubility-aqsoldb": 0.562, "caco2-wang": 0.922, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.425, "cyp3a4-substrate-carbonmangels": 0.137, "ld50-zhu": 0.608, "herg": 0.331, "dili": 0.677}}, "novelty": {"max_tanimoto": 0.25, "novelty": 0.75}, "synthesis": {"sa_score": 2.78}}, "run": {"gpu": "1", "pAct_q10": 4.483847481016029, "aff_pf": 0.5914967258771261, "aff_hs": 0.3118470013141632, "repeats_pf": {"runs": 3, "values": [0.6388, 0.5255, 0.6102], "mean": 0.5915, "spread": 0.1132}, "repeats_hs": {"runs": 3, "values": [0.241, 0.2793, 0.4153], "mean": 0.3118, "spread": 0.1743}, "at": 1786843692}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.778", "limit": 0.7, "text": "변이원성(Ames) 0.778 > 0.70"}], "submitted_at": 1786833782, "scored_at": 1786843692, "alerts": [], "rank": null}, {"candidate_id": "ODC-B0239D", "res_at": 1787156777, "skeleton": "UXCQHZBJERNNCF", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-W2-R2", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(NC1··········2)on1", "total": 7.571, "axes": {"activity": 4.41, "binding": 0.21, "selectivity": 0.0, "admet": 1.34, "novelty": 0.88, "synthesis": 0.74}, "detail": {"activity": {"pAct_q10": 4.865, "fraction": 0.147}, "binding": {"pIC50": 4.09, "LE": 0.312, "potency_term": 0.01, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.605, "per_endpoint": {"solubility-aqsoldb": 0.566, "caco2-wang": 0.984, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.168, "ld50-zhu": 0.454, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.404, "novelty": 0.596}, "synthesis": {"sa_score": 1.91}}, "run": {"gpu": "3", "pAct_q10": 4.864865343522303, "aff_pf": 1.9064700603485107, "aff_hs": 0.9182329773902893, "repeats_pf": {"runs": 3, "values": [1.8916, 1.8918, 1.936], "mean": 1.9065, "spread": 0.0445}, "repeats_hs": {"runs": 3, "values": [0.8872, 0.9577, 0.9099], "mean": 0.9182, "spread": 0.0705}, "at": 1787156777}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.708", "limit": 0.7, "text": "변이원성(Ames) 0.708 > 0.70"}], "submitted_at": 1787148158, "scored_at": 1787156777, "alerts": [], "rank": null}, {"candidate_id": "ODC-0F0A32", "res_at": 1786904908, "skeleton": "ZDFNHBKXMMEIGC", "hf_user": "araai", "display_name": "araai", "model_name": "AIARA", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=c1[nH··········)cc12", "total": 7.308, "axes": {"activity": 3.9, "binding": 0.88, "selectivity": 0.0, "admet": 0.97, "novelty": 0.92, "synthesis": 0.64}, "detail": {"activity": {"pAct_q10": 4.834, "fraction": 0.13}, "binding": {"pIC50": 4.67, "LE": 0.305, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.498, "per_endpoint": {"solubility-aqsoldb": 0.423, "caco2-wang": 0.912, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.316, "cyp3a4-substrate-carbonmangels": 0.081, "ld50-zhu": 0.391, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.294, "novelty": 0.706}, "synthesis": {"sa_score": 2.56}}, "run": {"gpu": "3", "pAct_q10": 4.833921728735847, "aff_pf": 1.3275528351465862, "aff_hs": 1.1476258039474487, "repeats_pf": {"runs": 3, "values": [1.3059, 1.3219, 1.3549], "mean": 1.3276, "spread": 0.049}, "repeats_hs": {"runs": 3, "values": [1.1171, 1.1716, 1.1543], "mean": 1.1476, "spread": 0.0545}, "at": 1786904908}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.758", "limit": 0.7, "text": "변이원성(Ames) 0.758 > 0.70"}], "submitted_at": 1786891987, "scored_at": 1786904908, "alerts": [], "rank": null}, {"candidate_id": "ODC-E3DBE1", "res_at": 1786831607, "skeleton": "XDXBSOVVWWQEGZ", "hf_user": "Gon1124", "display_name": "Alpha-male", "model_name": "Cursor Grok 4.6 high", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cccc··········3)no1", "total": 6.92, "axes": {"activity": 0.88, "binding": 3.2, "selectivity": 0.0, "admet": 0.95, "novelty": 1.12, "synthesis": 0.77}, "detail": {"activity": {"pAct_q10": 4.653, "fraction": 0.029}, "binding": {"pIC50": 5.48, "LE": 0.313, "potency_term": 0.16, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.16}, "admet": {"geometric_mean": 0.394, "per_endpoint": {"solubility-aqsoldb": 0.271, "caco2-wang": 0.699, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.474, "cyp3a4-substrate-carbonmangels": 0.067, "ld50-zhu": 0.431, "herg": 0.083, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.301, "novelty": 0.699}, "synthesis": {"sa_score": 2.63}}, "run": {"gpu": "1", "pAct_q10": 4.652531209801502, "aff_pf": 0.5193052490552267, "aff_hs": 0.16481486956278482, "repeats_pf": {"runs": 3, "values": [0.5335, 0.4907, 0.5337], "mean": 0.5193, "spread": 0.043}, "repeats_hs": {"runs": 3, "values": [0.1542, 0.1832, 0.157], "mean": 0.1648, "spread": 0.0289}, "at": 1786831607}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.821", "limit": 0.7, "text": "변이원성(Ames) 0.821 > 0.70"}], "submitted_at": 1786796700, "scored_at": 1786831607, "alerts": [], "rank": null}, {"candidate_id": "ODC-4A94D5", "res_at": 1786845804, "skeleton": "XRMXBFRIAFSKFY", "hf_user": "jjjabcd", "display_name": "jjjabcd", "model_name": "ChatGPT-5.6 Sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(C··········o2)n1", "total": 6.034, "axes": {"activity": 3.07, "binding": 0.89, "selectivity": 0.0, "admet": 0.8, "novelty": 0.79, "synthesis": 0.48}, "detail": {"activity": {"pAct_q10": 4.784, "fraction": 0.102}, "binding": {"pIC50": 4.67, "LE": 0.305, "potency_term": 0.044, "efficiency_cap": 1.0}, "selectivity": {"fold": 1.0, "selectivity_term": 0.01, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.524, "per_endpoint": {"solubility-aqsoldb": 0.602, "caco2-wang": 0.674, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.792, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.434, "herg": 0.05, "dili": 0.997}}, "novelty": {"max_tanimoto": 0.226, "novelty": 0.774}, "synthesis": {"sa_score": 2.74}}, "run": {"gpu": "2", "pAct_q10": 4.784446784905709, "aff_pf": 1.326046109199524, "aff_hs": 1.3454651832580566, "repeats_pf": {"runs": 3, "values": [1.3784, 1.3024, 1.2973], "mean": 1.326, "spread": 0.0811}, "repeats_hs": {"runs": 3, "values": [1.3626, 1.3658, 1.308], "mean": 1.3455, "spread": 0.0578}, "at": 1786845804}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.795", "limit": 0.7, "text": "변이원성(Ames) 0.795 > 0.70"}], "submitted_at": 1786833809, "scored_at": 1786845804, "alerts": [], "rank": null}, {"candidate_id": "ODC-796EFC", "res_at": 1786865162, "skeleton": "LCNAFKJPUYXKRF", "hf_user": "Fhwang", "display_name": "orange", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C1N(C··········)nn21", "total": 5.988, "axes": {"activity": 3.38, "binding": 0.36, "selectivity": 0.0, "admet": 0.98, "novelty": 0.74, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.803, "fraction": 0.113}, "binding": {"pIC50": 4.34, "LE": 0.283, "potency_term": 0.019, "efficiency_cap": 0.944}, "selectivity": {"fold": 0.1, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.58, "per_endpoint": {"solubility-aqsoldb": 0.572, "caco2-wang": 0.951, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.995, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.468, "herg": 0.583, "dili": 0.113}}, "novelty": {"max_tanimoto": 0.339, "novelty": 0.661}, "synthesis": {"sa_score": 2.73}}, "run": {"gpu": "3", "pAct_q10": 4.80252374608917, "aff_pf": 1.6582735379536946, "aff_hs": 0.6071532964706421, "repeats_pf": {"runs": 3, "values": [1.6401, 1.5277, 1.8071], "mean": 1.6583, "spread": 0.2794}, "repeats_hs": {"runs": 3, "values": [0.7756, 0.604, 0.4418], "mean": 0.6072, "spread": 0.3338}, "at": 1786865162}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.886", "limit": 0.7, "text": "변이원성(Ames) 0.886 > 0.70"}], "submitted_at": 1786857174, "scored_at": 1786865162, "alerts": [], "rank": null}, {"candidate_id": "ODC-4891D4", "res_at": 1787562572, "skeleton": "SLZUOMRCXIXCNY", "hf_user": "Czaro2891", "display_name": "Ceasar", "model_name": "OpenAI", "mw_band": "250-300", "visibility": "public", "smiles": "COc1ccc(-c2ccc3ncc(C#N)cc3n2)cc1", "smiles_masked": null, "total": 5.858, "axes": {"activity": 2.82, "binding": 0.89, "selectivity": 0.28, "admet": 0.8, "novelty": 0.59, "synthesis": 0.47}, "detail": {"activity": {"pAct_q10": 4.769, "fraction": 0.094}, "binding": {"pIC50": 5.13, "LE": 0.352, "potency_term": 0.045, "efficiency_cap": 1.0}, "selectivity": {"fold": 4.3, "selectivity_term": 0.317, "target_engagement": 0.045}, "admet": {"geometric_mean": 0.571, "per_endpoint": {"solubility-aqsoldb": 0.337, "caco2-wang": 0.838, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.827, "cyp3a4-substrate-carbonmangels": 0.408, "ld50-zhu": 0.416, "herg": 0.96, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.373, "novelty": 0.627}, "synthesis": {"sa_score": 1.99}}, "run": {"gpu": "3", "pAct_q10": 4.769120060570195, "aff_pf": 0.8661603927612305, "aff_hs": 1.5011238257090251, "repeats_pf": {"runs": 3, "values": [0.8381, 0.8951, 0.8653], "mean": 0.8662, "spread": 0.057}, "repeats_hs": {"runs": 3, "values": [1.4789, 1.4674, 1.5571], "mean": 1.5011, "spread": 0.0896}, "at": 1787562572}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.859", "limit": 0.7, "text": "변이원성(Ames) 0.859 > 0.70"}], "submitted_at": 1787554936, "scored_at": 1787562572, "alerts": [], "rank": null}, {"candidate_id": "ODC-43DCC4", "res_at": 1787563537, "skeleton": "NBLVKHXPMLDVDQ", "hf_user": "Czaro2891", "display_name": "Ceasar", "model_name": "OpenAI", "mw_band": "250-300", "visibility": "public", "smiles": "COc1cc(-c2ccc3ncc(C#N)nc3c2)ccc1C", "smiles_masked": null, "total": 5.626, "axes": {"activity": 3.21, "binding": 0.37, "selectivity": 0.0, "admet": 0.81, "novelty": 0.7, "synthesis": 0.53}, "detail": {"activity": {"pAct_q10": 4.793, "fraction": 0.107}, "binding": {"pIC50": 4.35, "LE": 0.284, "potency_term": 0.02, "efficiency_cap": 0.946}, "selectivity": {"fold": 0.8, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.297, "caco2-wang": 0.84, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.625, "cyp3a4-substrate-carbonmangels": 0.215, "ld50-zhu": 0.339, "herg": 0.747, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "3", "pAct_q10": 4.792520090942586, "aff_pf": 1.651694615681966, "aff_hs": 1.5409868558247883, "repeats_pf": {"runs": 3, "values": [1.5985, 1.7049, 1.6517], "mean": 1.6517, "spread": 0.1064}, "repeats_hs": {"runs": 3, "values": [1.4809, 1.5887, 1.5534], "mean": 1.541, "spread": 0.1078}, "at": 1787563537}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.779", "limit": 0.7, "text": "변이원성(Ames) 0.779 > 0.70"}], "submitted_at": 1787555267, "scored_at": 1787563537, "alerts": [], "rank": null}, {"candidate_id": "ODC-5BCC9A", "res_at": 1786778493, "skeleton": "RSOZRHSUYXPMMW", "hf_user": "yelixir", "display_name": "yElixir.dev", "model_name": "Deepseek v4 pro + flash", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1oc2··········2c1OC", "total": 5.22, "axes": {"activity": 2.32, "binding": 1.38, "selectivity": 0.0, "admet": 0.59, "novelty": 0.56, "synthesis": 0.36}, "detail": {"activity": {"pAct_q10": 4.498, "fraction": 0.077}, "binding": {"pIC50": 4.85, "LE": 0.316, "potency_term": 0.069, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.51, "per_endpoint": {"solubility-aqsoldb": 0.368, "caco2-wang": 0.826, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.793, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.477, "herg": 0.986, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.274, "novelty": 0.726}, "synthesis": {"sa_score": 2.77}}, "run": {"gpu": "3", "pAct_q10": 4.497829907072557, "aff_pf": 1.148641586303711, "aff_hs": 1.1211645603179932, "at": 1786778493}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.817", "limit": 0.7, "text": "변이원성(Ames) 0.817 > 0.70"}], "submitted_at": 1786778240, "scored_at": 1786778493, "alerts": [], "rank": null}, {"candidate_id": "ODC-4394BC", "res_at": 1788510626, "skeleton": "BWIHCOLEDBJPCH", "hf_user": "dlghkdueo", "display_name": "R6-F4", "model_name": "OpenAI Codex / gpt-5.6-sol", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········)c1Cl", "total": 4.97, "axes": {"activity": 1.53, "binding": 1.59, "selectivity": 0.31, "admet": 0.63, "novelty": 0.52, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.692, "fraction": 0.051}, "binding": {"pIC50": 5.24, "LE": 0.342, "potency_term": 0.079, "efficiency_cap": 1.0}, "selectivity": {"fold": 2.4, "selectivity_term": 0.193, "target_engagement": 0.079}, "admet": {"geometric_mean": 0.532, "per_endpoint": {"solubility-aqsoldb": 0.354, "caco2-wang": 0.923, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.449, "cyp3a4-substrate-carbonmangels": 0.336, "ld50-zhu": 0.352, "herg": 0.786, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.346, "novelty": 0.654}, "synthesis": {"sa_score": 2.41}}, "run": {"gpu": "0", "pAct_q10": 4.691751014591359, "aff_pf": 0.7620360851287842, "aff_hs": 1.1476983626683552, "repeats_pf": {"runs": 3, "values": [0.9621, 0.6762, 0.6479], "mean": 0.762, "spread": 0.3142}, "repeats_hs": {"runs": 3, "values": [1.2601, 1.2032, 0.9799], "mean": 1.1477, "spread": 0.2802}, "at": 1788510626}, "tier": 2, "alerts": [], "total_sd": 1.183, "total_ci95": [2.808, 6.755], "relegate_reason": [{"code": "ames", "arg": "0.705", "limit": 0.7, "text": "변이원성(Ames) 0.705 > 0.70"}], "submitted_at": 1788448433, "scored_at": 1788510626, "rank": null}, {"candidate_id": "ODC-481009", "res_at": 1787072119, "skeleton": "ZICMDLJJOMPPSZ", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 4.838, "axes": {"activity": 1.37, "binding": 1.75, "selectivity": 0.0, "admet": 0.71, "novelty": 0.6, "synthesis": 0.41}, "detail": {"activity": {"pAct_q10": 4.682, "fraction": 0.046}, "binding": {"pIC50": 4.95, "LE": 0.308, "potency_term": 0.088, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.537, "per_endpoint": {"solubility-aqsoldb": 0.504, "caco2-wang": 0.792, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.364, "herg": 0.526, "dili": 0.163}}, "novelty": {"max_tanimoto": 0.318, "novelty": 0.682}, "synthesis": {"sa_score": 2.71}}, "run": {"gpu": "3", "pAct_q10": 4.682474738727825, "aff_pf": 1.0533853769302368, "aff_hs": 0.8972877661387125, "repeats_pf": {"runs": 3, "values": [1.1055, 1.1054, 0.9492], "mean": 1.0534, "spread": 0.1563}, "repeats_hs": {"runs": 3, "values": [0.857, 0.9396, 0.8953], "mean": 0.8973, "spread": 0.0826}, "at": 1787072119}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.796", "limit": 0.7, "text": "변이원성(Ames) 0.796 > 0.70"}], "submitted_at": 1787066007, "scored_at": 1787072119, "alerts": [], "rank": null}, {"candidate_id": "ODC-32F80A", "res_at": 1787647561, "skeleton": "RRBJTWIQHLJLDR", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)nc1", "total": 4.791, "axes": {"activity": 1.0, "binding": 1.89, "selectivity": 0.0, "admet": 0.85, "novelty": 0.64, "synthesis": 0.4}, "detail": {"activity": {"pAct_q10": 4.66, "fraction": 0.033}, "binding": {"pIC50": 5.28, "LE": 0.329, "potency_term": 0.095, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.9, "selectivity_term": 0.0, "target_engagement": 0.095}, "admet": {"geometric_mean": 0.601, "per_endpoint": {"solubility-aqsoldb": 0.641, "caco2-wang": 0.752, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.249, "ld50-zhu": 0.421, "herg": 0.659, "dili": 0.071}}, "novelty": {"max_tanimoto": 0.319, "novelty": 0.681}, "synthesis": {"sa_score": 3.04}}, "run": {"gpu": "3", "pAct_q10": 4.660106862884132, "aff_pf": 0.7161902785301208, "aff_hs": 0.6840035319328308, "repeats_pf": {"runs": 3, "values": [0.7679, 0.6616, 0.7191], "mean": 0.7162, "spread": 0.1062}, "repeats_hs": {"runs": 3, "values": [0.7321, 0.7479, 0.572], "mean": 0.684, "spread": 0.1759}, "at": 1787647561}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.785", "limit": 0.7, "text": "변이원성(Ames) 0.785 > 0.70"}], "submitted_at": 1787641394, "scored_at": 1787647561, "alerts": [], "rank": null}, {"candidate_id": "ODC-D2E251", "res_at": 1789893936, "skeleton": "BXWOHJKREZAYAZ", "hf_user": "h-s-b", "display_name": "hsb", "model_name": "gpt", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "CNc1nc2··········cccn1", "total": 4.546, "axes": {"activity": 2.57, "binding": 0.22, "selectivity": 0.0, "admet": 0.81, "novelty": 0.53, "synthesis": 0.43}, "detail": {"activity": {"pAct_q10": 4.538, "fraction": 0.086}, "binding": {"pIC50": 4.12, "LE": 0.297, "potency_term": 0.011, "efficiency_cap": 0.99}, "selectivity": {"fold": 1.2, "selectivity_term": 0.042, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.627, "per_endpoint": {"solubility-aqsoldb": 0.644, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.827, "cyp3a4-substrate-carbonmangels": 0.575, "ld50-zhu": 0.323, "herg": 0.886, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.384, "novelty": 0.616}, "synthesis": {"sa_score": 2.21}}, "run": {"gpu": "2", "pAct_q10": 4.537773468710651, "aff_pf": 1.8828444480895996, "aff_hs": 1.9675343831380208, "repeats_pf": {"runs": 3, "values": [1.9704, 1.9277, 1.7504], "mean": 1.8828, "spread": 0.22}, "repeats_hs": {"runs": 3, "values": [1.9953, 2.1141, 1.7932], "mean": 1.9675, "spread": 0.321}, "at": 1789893936}, "tier": 2, "alerts": [], "total_sd": 0.032, "total_ci95": [4.506, 4.635], "relegate_reason": [{"code": "ames", "arg": "0.797", "limit": 0.7, "text": "변이원성(Ames) 0.797 > 0.70"}], "submitted_at": 1789689633, "scored_at": 1789893936, "rank": null}, {"candidate_id": "ODC-78BC55", "res_at": 1787647370, "skeleton": "MPEYDSJXSFYCPT", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "N#Cc1cc··········2)cc1", "total": 4.176, "axes": {"activity": 1.92, "binding": 0.92, "selectivity": 0.0, "admet": 0.6, "novelty": 0.44, "synthesis": 0.29}, "detail": {"activity": {"pAct_q10": 4.422, "fraction": 0.064}, "binding": {"pIC50": 4.7, "LE": 0.293, "potency_term": 0.047, "efficiency_cap": 0.976}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.63, "per_endpoint": {"solubility-aqsoldb": 0.558, "caco2-wang": 0.844, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.216, "ld50-zhu": 0.452, "herg": 0.654, "dili": 0.152}}, "novelty": {"max_tanimoto": 0.313, "novelty": 0.687}, "synthesis": {"sa_score": 2.84}}, "run": {"gpu": "3", "pAct_q10": 4.42160546247318, "aff_pf": 1.3000312248865764, "aff_hs": 1.0890488624572754, "repeats_pf": {"runs": 3, "values": [1.3919, 1.3995, 1.1087], "mean": 1.3, "spread": 0.2908}, "repeats_hs": {"runs": 3, "values": [0.8359, 0.9941, 1.4372], "mean": 1.089, "spread": 0.6014}, "at": 1787647370}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.739", "limit": 0.7, "text": "변이원성(Ames) 0.739 > 0.70"}], "submitted_at": 1787641383, "scored_at": 1787647370, "alerts": [], "rank": null}, {"candidate_id": "ODC-2F8072", "res_at": 1786844217, "skeleton": "MEDHOBZZMWINFS", "hf_user": "1Dmeds", "display_name": "ODC26-SE-03", "model_name": "OpenAI GPT-5.6 Luna Extra High", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "COc1ccc··········2)cc1", "total": 4.124, "axes": {"activity": 1.05, "binding": 1.41, "selectivity": 0.41, "admet": 0.5, "novelty": 0.4, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.663, "fraction": 0.035}, "binding": {"pIC50": 5.21, "LE": 0.31, "potency_term": 0.071, "efficiency_cap": 1.0}, "selectivity": {"fold": 3.8, "selectivity_term": 0.288, "target_engagement": 0.071}, "admet": {"geometric_mean": 0.473, "per_endpoint": {"solubility-aqsoldb": 0.457, "caco2-wang": 0.891, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.879, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.218, "herg": 0.769, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.436, "novelty": 0.564}, "synthesis": {"sa_score": 2.05}}, "run": {"gpu": "3", "pAct_q10": 4.6632843167954805, "aff_pf": 0.7882661819458008, "aff_hs": 1.3638095060984294, "repeats_pf": {"runs": 3, "values": [0.7742, 0.8606, 0.73], "mean": 0.7883, "spread": 0.1305}, "repeats_hs": {"runs": 3, "values": [1.4269, 1.4205, 1.2441], "mean": 1.3638, "spread": 0.1828}, "at": 1786844217}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.710", "limit": 0.7, "text": "변이원성(Ames) 0.710 > 0.70"}], "submitted_at": 1786832739, "scored_at": 1786844217, "alerts": [], "rank": null}, {"candidate_id": "ODC-32F9BB", "res_at": 1786988596, "skeleton": "JLGXZHBJQQHARC", "hf_user": "polarbearsong", "display_name": "ODC-R2-06-triazolophthalazine-indoline", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "FC(F)c1··········3c2n1", "total": 3.803, "axes": {"activity": 1.59, "binding": 1.23, "selectivity": 0.0, "admet": 0.28, "novelty": 0.43, "synthesis": 0.28}, "detail": {"activity": {"pAct_q10": 4.695, "fraction": 0.053}, "binding": {"pIC50": 4.87, "LE": 0.257, "potency_term": 0.072, "efficiency_cap": 0.855}, "selectivity": {"fold": 1.0, "selectivity_term": 0.008, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.299, "per_endpoint": {"solubility-aqsoldb": 0.33, "caco2-wang": 0.727, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.05, "cyp2c9-veith": 0.05, "cyp3a4-substrate-carbonmangels": 0.105, "ld50-zhu": 0.5, "herg": 0.074, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.308, "novelty": 0.692}, "synthesis": {"sa_score": 2.8}}, "run": {"gpu": "3", "pAct_q10": 4.695200344785916, "aff_pf": 1.1312530438105266, "aff_hs": 1.1467660665512085, "repeats_pf": {"runs": 3, "values": [1.1229, 1.1267, 1.1441], "mean": 1.1313, "spread": 0.0212}, "repeats_hs": {"runs": 3, "values": [1.2964, 1.2052, 0.9387], "mean": 1.1468, "spread": 0.3576}, "at": 1786988596}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.793", "limit": 0.7, "text": "변이원성(Ames) 0.793 > 0.70"}], "submitted_at": 1786984674, "scored_at": 1786988596, "alerts": [], "rank": null}, {"candidate_id": "ODC-C8F430", "res_at": 1786840230, "skeleton": "IJSPLAGLFPBWRF", "hf_user": "jinai08", "display_name": "OOA", "model_name": "opus 5", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "O=C(Nc1··········cnoc1", "total": 3.732, "axes": {"activity": 2.12, "binding": 0.31, "selectivity": 0.0, "admet": 0.52, "novelty": 0.43, "synthesis": 0.35}, "detail": {"activity": {"pAct_q10": 4.461, "fraction": 0.071}, "binding": {"pIC50": 4.28, "LE": 0.279, "potency_term": 0.017, "efficiency_cap": 0.931}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.495, "per_endpoint": {"solubility-aqsoldb": 0.113, "caco2-wang": 0.79, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.676, "cyp3a4-substrate-carbonmangels": 0.891, "ld50-zhu": 0.331, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.396, "novelty": 0.604}, "synthesis": {"sa_score": 2.01}}, "run": {"gpu": "2", "pAct_q10": 4.460952640870257, "aff_pf": 1.7186119556427002, "aff_hs": 1.1216426690419514, "repeats_pf": {"runs": 3, "values": [1.6685, 1.7456, 1.7418], "mean": 1.7186, "spread": 0.077}, "repeats_hs": {"runs": 3, "values": [1.0136, 1.1418, 1.2096], "mean": 1.1216, "spread": 0.196}, "at": 1786840230}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.751", "limit": 0.7, "text": "변이원성(Ames) 0.751 > 0.70"}], "submitted_at": 1786805246, "scored_at": 1786840230, "alerts": [], "rank": null}, {"candidate_id": "ODC-D58027", "res_at": 1789905926, "skeleton": "SDCBQLLBTPIITE", "hf_user": "topabaem", "display_name": "topabaem", "model_name": "Iimura-max", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "CNC(=O)··········ccc12", "total": 3.183, "axes": {"activity": 1.85, "binding": 0.26, "selectivity": 0.0, "admet": 0.47, "novelty": 0.29, "synthesis": 0.31}, "detail": {"activity": {"pAct_q10": 4.711, "fraction": 0.062}, "binding": {"pIC50": 4.27, "LE": 0.244, "potency_term": 0.016, "efficiency_cap": 0.812}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.508, "per_endpoint": {"solubility-aqsoldb": 0.267, "caco2-wang": 1.0, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.45, "cyp3a4-substrate-carbonmangels": 0.102, "ld50-zhu": 0.601, "herg": 0.663, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.526, "novelty": 0.474}, "synthesis": {"sa_score": 1.95}}, "run": {"gpu": "2", "pAct_q10": 4.711043439529949, "aff_pf": 1.731612006823222, "aff_hs": 1.3203296661376953, "repeats_pf": {"runs": 3, "values": [1.5864, 1.8278, 1.7806], "mean": 1.7316, "spread": 0.2415}, "repeats_hs": {"runs": 3, "values": [1.284, 1.2995, 1.3775], "mean": 1.3203, "spread": 0.0934}, "at": 1789905926}, "tier": 2, "alerts": [], "total_sd": 0.046, "total_ci95": [3.122, 3.309], "relegate_reason": [{"code": "ames", "arg": "0.715", "limit": 0.7, "text": "변이원성(Ames) 0.715 > 0.70"}], "submitted_at": 1789778760, "scored_at": 1789905926, "rank": null}, {"candidate_id": "ODC-68E08F", "res_at": 1786981729, "skeleton": "ODEGKUGHBVPOEB", "hf_user": "polarbearsong", "display_name": "ODC-R1-06-benzisoxazole", "model_name": "claude-opus-5", "mw_band": "300-350", "visibility": "private", "smiles": null, "smiles_masked": "Cc1cc(-··········ccc1F", "total": 3.003, "axes": {"activity": 1.09, "binding": 0.98, "selectivity": 0.0, "admet": 0.37, "novelty": 0.31, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.666, "fraction": 0.036}, "binding": {"pIC50": 5.15, "LE": 0.294, "potency_term": 0.05, "efficiency_cap": 0.98}, "selectivity": {"fold": 0.3, "selectivity_term": 0.0, "target_engagement": 0.05}, "admet": {"geometric_mean": 0.505, "per_endpoint": {"solubility-aqsoldb": 0.2, "caco2-wang": 0.927, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.479, "cyp3a4-substrate-carbonmangels": 0.342, "ld50-zhu": 0.475, "herg": 0.568, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.368, "novelty": 0.632}, "synthesis": {"sa_score": 2.45}}, "run": {"gpu": "3", "pAct_q10": 4.665566629246975, "aff_pf": 0.849681576093038, "aff_hs": 0.3283883333206177, "repeats_pf": {"runs": 3, "values": [0.941, 0.6741, 0.9339], "mean": 0.8497, "spread": 0.2669}, "repeats_hs": {"runs": 3, "values": [0.3475, 0.3057, 0.3319], "mean": 0.3284, "spread": 0.0418}, "at": 1786981729}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.717", "limit": 0.7, "text": "변이원성(Ames) 0.717 > 0.70"}], "submitted_at": 1786979309, "scored_at": 1786981729, "alerts": [], "rank": null}, {"candidate_id": "ODC-F0D6CE", "res_at": 1787148681, "skeleton": "FEMNYQMWQYIRFU", "hf_user": "Jt1004", "display_name": "Juntae Kim", "model_name": "open-discovery-challenge", "mw_band": "250-300", "visibility": "public", "smiles": "NC(=O)c1nc2c(-c3ccc(F)cc3)cccc2[nH]1", "smiles_masked": null, "total": 2.97, "axes": {"activity": 1.27, "binding": 0.77, "selectivity": 0.0, "admet": 0.42, "novelty": 0.29, "synthesis": 0.21}, "detail": {"activity": {"pAct_q10": 4.257, "fraction": 0.042}, "binding": {"pIC50": 4.62, "LE": 0.333, "potency_term": 0.039, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.5, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.657, "per_endpoint": {"solubility-aqsoldb": 0.573, "caco2-wang": 0.837, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 1.0, "ld50-zhu": 0.399, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.317, "novelty": 0.683}, "synthesis": {"sa_score": 2.14}}, "run": {"gpu": "3", "pAct_q10": 4.2574465286047865, "aff_pf": 1.3792545000712078, "aff_hs": 1.077406883239746, "repeats_pf": {"runs": 3, "values": [1.4262, 1.3205, 1.3911], "mean": 1.3793, "spread": 0.1056}, "repeats_hs": {"runs": 3, "values": [1.0564, 1.0693, 1.1065], "mean": 1.0774, "spread": 0.0501}, "at": 1787148681}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.725", "limit": 0.7, "text": "변이원성(Ames) 0.725 > 0.70"}], "submitted_at": 1787145308, "scored_at": 1787148681, "alerts": [], "rank": null}, {"candidate_id": "ODC-A1C2FF", "res_at": 1787072520, "skeleton": "HMXMOCMNGWHQMG", "hf_user": "Pfasdkl", "display_name": "Sunggu Kang", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "COc1cn2··········cc2n1", "total": 2.669, "axes": {"activity": 0.64, "binding": 1.04, "selectivity": 0.0, "admet": 0.36, "novelty": 0.38, "synthesis": 0.25}, "detail": {"activity": {"pAct_q10": 4.638, "fraction": 0.021}, "binding": {"pIC50": 4.74, "LE": 0.295, "potency_term": 0.053, "efficiency_cap": 0.985}, "selectivity": {"fold": 0.6, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.468, "per_endpoint": {"solubility-aqsoldb": 0.474, "caco2-wang": 0.777, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 0.738, "cyp3a4-substrate-carbonmangels": 0.066, "ld50-zhu": 0.205, "herg": 0.351, "dili": 0.114}}, "novelty": {"max_tanimoto": 0.273, "novelty": 0.727}, "synthesis": {"sa_score": 2.64}}, "run": {"gpu": "3", "pAct_q10": 4.638217864190699, "aff_pf": 1.255495508511861, "aff_hs": 1.0464600324630737, "repeats_pf": {"runs": 3, "values": [1.2285, 1.212, 1.3261], "mean": 1.2555, "spread": 0.1141}, "repeats_hs": {"runs": 3, "values": [0.9133, 1.1501, 1.076], "mean": 1.0465, "spread": 0.2368}, "at": 1787072520}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.783", "limit": 0.7, "text": "변이원성(Ames) 0.783 > 0.70"}], "submitted_at": 1787066030, "scored_at": 1787072520, "alerts": [], "rank": null}, {"candidate_id": "ODC-5E259F", "res_at": 1787562768, "skeleton": "HTTCASIUWQNBRC", "hf_user": "Czaro2891", "display_name": "Ceasar", "model_name": "OpenAI", "mw_band": "350-400", "visibility": "public", "smiles": "CN(C)CCc1cnn(-c2cncc(C(=O)Nc3ccc(C#N)cc3)n2)n1", "smiles_masked": null, "total": 2.318, "axes": {"activity": 1.23, "binding": 0.29, "selectivity": 0.0, "admet": 0.34, "novelty": 0.27, "synthesis": 0.19}, "detail": {"activity": {"pAct_q10": 4.674, "fraction": 0.041}, "binding": {"pIC50": 4.35, "LE": 0.221, "potency_term": 0.02, "efficiency_cap": 0.736}, "selectivity": {"fold": 0.7, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.56, "per_endpoint": {"solubility-aqsoldb": 0.806, "caco2-wang": 0.528, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 0.824, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.05, "ld50-zhu": 0.667, "herg": 1.0, "dili": 0.05}}, "novelty": {"max_tanimoto": 0.345, "novelty": 0.655}, "synthesis": {"sa_score": 2.75}}, "run": {"gpu": "3", "pAct_q10": 4.673631018428396, "aff_pf": 1.650678555170695, "aff_hs": 1.512170950571696, "repeats_pf": {"runs": 3, "values": [1.7225, 1.6398, 1.5898], "mean": 1.6507, "spread": 0.1327}, "repeats_hs": {"runs": 3, "values": [1.5616, 1.4344, 1.5405], "mean": 1.5122, "spread": 0.1271}, "at": 1787562768}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.776", "limit": 0.7, "text": "변이원성(Ames) 0.776 > 0.70"}], "submitted_at": 1787555001, "scored_at": 1787562768, "alerts": [], "rank": null}, {"candidate_id": "ODC-8D010C", "res_at": 1787916753, "skeleton": "YOXZXJHQDQKLSM", "hf_user": "redcrono", "display_name": "redcrono", "model_name": "", "mw_band": "250-300", "visibility": "private", "smiles": null, "smiles_masked": "c1cc(Nc··········C2)c1", "total": 1.455, "axes": {"activity": 0.37, "binding": 0.5, "selectivity": 0.0, "admet": 0.29, "novelty": 0.18, "synthesis": 0.12}, "detail": {"activity": {"pAct_q10": 4.622, "fraction": 0.012}, "binding": {"pIC50": 4.44, "LE": 0.304, "potency_term": 0.025, "efficiency_cap": 1.0}, "selectivity": {"fold": 0.4, "selectivity_term": 0.0, "target_engagement": 0.0}, "admet": {"geometric_mean": 0.779, "per_endpoint": {"solubility-aqsoldb": 0.669, "caco2-wang": 0.83, "hia-hou": 1.0, "bioavailability-ma": 1.0, "pgp-broccatelli": 1.0, "cyp2c9-veith": 1.0, "cyp3a4-substrate-carbonmangels": 0.709, "ld50-zhu": 0.333, "herg": 0.967, "dili": 1.0}}, "novelty": {"max_tanimoto": 0.268, "novelty": 0.732}, "synthesis": {"sa_score": 2.58}}, "run": {"gpu": "0", "pAct_q10": 4.622078646942414, "aff_pf": 1.5584522485733032, "aff_hs": 1.1777269840240479, "repeats_pf": {"runs": 3, "values": [1.5257, 1.5917, 1.558], "mean": 1.5585, "spread": 0.066}, "repeats_hs": {"runs": 3, "values": [1.1027, 1.2133, 1.2172], "mean": 1.1777, "spread": 0.1145}, "at": 1787916753}, "tier": 2, "relegate_reason": [{"code": "ames", "arg": "0.802", "limit": 0.7, "text": "변이원성(Ames) 0.802 > 0.70"}], "submitted_at": 1787898849, "scored_at": 1787916753, "alerts": [], "rank": null}, {"candidate_id": "ODC-455AFE", "res_at": null, "skeleton": "FNOHZTBUJCTGQW", "hf_user": "Dosin1317", "display_name": "newway", "model_name": "", "mw_band": "450-500", "visibility": "private", "smiles": null, "smiles_masked": "COc1c(N··········(C)n1", "total": 0.0, "axes": {}, "detail": null, "run": null, "tier": 2, "relegate_reason": ["도킹 측정 실패 (재시도 5회 소진)"], "submitted_at": 1787876640, "scored_at": 1787896771, "alerts": [], "rank": null}], "counts": {"scored": 6797, "anchors": 9}}